I: pbuilder: network access will be disabled during build I: Current time: Wed Jun 11 07:57:36 +14 2025 I: pbuilder-time-stamp: 1749578256 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: using eatmydata during job I: Copying source file I: copying [elkcode_9.2.12-1.dsc] I: copying [./elkcode_9.2.12.orig.tar.gz] I: copying [./elkcode_9.2.12-1.debian.tar.xz] I: Extracting source gpgv: Signature made Fri Dec 29 15:36:37 2023 gpgv: using RSA key 9CA877749FAB2E4FA96862ECDC686A27B43481B0 gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./elkcode_9.2.12-1.dsc: no acceptable signature found dpkg-source: info: extracting elkcode in elkcode-9.2.12 dpkg-source: info: unpacking elkcode_9.2.12.orig.tar.gz dpkg-source: info: unpacking elkcode_9.2.12-1.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying default_data_directory.patch dpkg-source: info: applying makeflags.patch dpkg-source: info: applying testsuite_quick.patch dpkg-source: info: applying makefile_clean.patch dpkg-source: info: applying ls_locale_for_reproducible_order.patch I: using fakeroot in build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/76416/tmp/hooks/D01_modify_environment starting debug: Running on ionos16-i386. 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 Jun 10 17:57 /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/76416/tmp/hooks/D01_modify_environment finished I: user script /srv/workspace/pbuilder/76416/tmp/hooks/D02_print_environment starting I: set 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]="21" [3]="1" [4]="release" [5]="i686-pc-linux-gnu") BASH_VERSION='5.2.21(1)-release' BUILDDIR=/build/reproducible-path BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' BUILDUSERNAME=pbuilder2 BUILD_ARCH=i386 DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=21 ' DIRSTACK=() DISTRIBUTION=trixie EUID=0 FUNCNAME=([0]="Echo" [1]="main") GROUPS=() HOME=/root HOSTNAME=i-capture-the-hostname HOSTTYPE=i686 HOST_ARCH=i386 IFS=' ' INVOCATION_ID=bb41833035f04859aef8f1551651de6b LANG=C LANGUAGE=de_CH:de LC_ALL=C LD_LIBRARY_PATH=/usr/lib/libeatmydata LD_PRELOAD=libeatmydata.so MACHTYPE=i686-pc-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=76416 PS4='+ ' 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.Xv6UAlUS/pbuilderrc_SFiD --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.Xv6UAlUS/b2 --logfile b2/build.log elkcode_9.2.12-1.dsc' SUDO_GID=112 SUDO_UID=107 SUDO_USER=jenkins TERM=unknown TZ=/usr/share/zoneinfo/Etc/GMT-14 UID=0 USER=root _='I: set' http_proxy=http://213.165.73.152:3128 I: uname -a Linux i-capture-the-hostname 6.1.0-21-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.90-1 (2024-05-03) x86_64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Jun 8 17:47 /bin -> usr/bin I: user script /srv/workspace/pbuilder/76416/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: i386 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: debhelper-compat (= 13), gfortran, libblas-dev, libfftw3-dev, liblapack-dev, libwannier90-dev, libxc-dev (>= 5.0.0-1), mpi-default-bin, mpi-default-dev, pkg-config, texlive-latex-extra dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19683 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on gfortran; however: Package gfortran is not installed. pbuilder-satisfydepends-dummy depends on libblas-dev; however: Package libblas-dev is not installed. pbuilder-satisfydepends-dummy depends on libfftw3-dev; however: Package libfftw3-dev is not installed. pbuilder-satisfydepends-dummy depends on liblapack-dev; however: Package liblapack-dev is not installed. pbuilder-satisfydepends-dummy depends on libwannier90-dev; however: Package libwannier90-dev is not installed. pbuilder-satisfydepends-dummy depends on libxc-dev (>= 5.0.0-1); however: Package libxc-dev is not installed. pbuilder-satisfydepends-dummy depends on mpi-default-bin; however: Package mpi-default-bin is not installed. pbuilder-satisfydepends-dummy depends on mpi-default-dev; however: Package mpi-default-dev is not installed. pbuilder-satisfydepends-dummy depends on pkg-config; however: Package pkg-config is not installed. pbuilder-satisfydepends-dummy depends on texlive-latex-extra; however: Package texlive-latex-extra is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} bsdextrautils{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} dwz{a} file{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-lmodern{a} gettext{a} gettext-base{a} gfortran{a} gfortran-13{a} gfortran-13-i686-linux-gnu{a} gfortran-i686-linux-gnu{a} groff-base{a} ibverbs-providers{a} intltool-debian{a} libapache-pom-java{a} libarchive-zip-perl{a} libblas-dev{a} libblas3{a} libbrotli1{a} libbsd0{a} libcairo2{a} libcbor0.10{a} libcom-err2{a} libcommons-logging-java{a} libcommons-parent-java{a} libdebhelper-perl{a} libedit2{a} libelf1t64{a} libevent-2.1-7t64{a} libevent-core-2.1-7t64{a} libevent-dev{a} libevent-extra-2.1-7t64{a} libevent-openssl-2.1-7t64{a} libevent-pthreads-2.1-7t64{a} libexpat1{a} libfabric1{a} libfftw3-bin{a} libfftw3-dev{a} libfftw3-double3{a} libfftw3-long3{a} libfftw3-quad3{a} libfftw3-single3{a} libfido2-1{a} libfile-stripnondeterminism-perl{a} libfontbox-java{a} libfontconfig1{a} libfreetype6{a} libgfortran-13-dev{a} libgfortran5{a} libglib2.0-0t64{a} libgraphite2-3{a} libgssapi-krb5-2{a} libharfbuzz0b{a} libhwloc-dev{a} libhwloc-plugins{a} libhwloc15{a} libibverbs-dev{a} libibverbs1{a} libice6{a} libicu72{a} libjs-jquery{a} libjs-jquery-ui{a} libk5crypto3{a} libkeyutils1{a} libkpathsea6{a} libkrb5-3{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} libltdl-dev{a} libltdl7{a} libmagic-mgc{a} libmagic1t64{a} libnl-3-200{a} libnl-3-dev{a} libnl-route-3-200{a} libnl-route-3-dev{a} libnuma-dev{a} libnuma1{a} libopenmpi-dev{a} libopenmpi3t64{a} libpaper-utils{a} libpaper1{a} libpciaccess0{a} libpdfbox-java{a} libpipeline1{a} libpixman-1-0{a} libpkgconf3{a} libpng16-16t64{a} libpotrace0{a} libpsm-infinipath1{a} libptexenc1{a} libpython3-stdlib{a} libpython3.11-minimal{a} libpython3.11-stdlib{a} librdmacm1t64{a} libreadline8t64{a} libsm6{a} libsub-override-perl{a} libsynctex2{a} libteckit0{a} libtexlua53-5{a} libtool{a} libuchardet0{a} libwannier90-dev{a} libx11-6{a} libx11-data{a} libxau6{a} libxaw7{a} libxc-dev{a} libxc9{a} libxcb-render0{a} libxcb-shm0{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxi6{a} libxml2{a} libxmu6{a} libxnvctrl0{a} libxpm4{a} libxrender1{a} libxt6t64{a} libzzip-0-13t64{a} m4{a} man-db{a} media-types{a} mpi-default-bin{a} mpi-default-dev{a} netbase{a} ocl-icd-libopencl1{a} openmpi-bin{a} openmpi-common{a} openssh-client{a} pkg-config{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} preview-latex-style{a} python3{a} python3-minimal{a} python3.11{a} python3.11-minimal{a} readline-common{a} sensible-utils{a} t1utils{a} tex-common{a} texlive-base{a} texlive-binaries{a} texlive-latex-base{a} texlive-latex-extra{a} texlive-latex-recommended{a} texlive-pictures{a} tzdata{a} ucf{a} x11-common{a} xdg-utils{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl default-jre dvisvgm javascript-common krb5-locales libarchive-cpio-perl libcoarrays-openmpi-dev libfile-mimeinfo-perl libglib2.0-data libmail-sendmail-perl libnet-dbus-perl libspreadsheet-parseexcel-perl libx11-protocol-perl lmodern lynx ruby shared-mime-info texlive-fonts-recommended texlive-plain-generic tk wget x11-utils x11-xserver-utils xauth xdg-user-dirs 0 packages upgraded, 167 newly installed, 0 to remove and 0 not upgraded. Need to get 171 MB of archives. After unpacking 629 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian trixie/main i386 libpython3.11-minimal i386 3.11.9-1 [817 kB] Get: 2 http://deb.debian.org/debian trixie/main i386 libexpat1 i386 2.6.2-1 [107 kB] Get: 3 http://deb.debian.org/debian trixie/main i386 python3.11-minimal i386 3.11.9-1 [1918 kB] Get: 4 http://deb.debian.org/debian trixie/main i386 python3-minimal i386 3.11.8-1 [26.3 kB] Get: 5 http://deb.debian.org/debian trixie/main i386 media-types all 10.1.0 [26.9 kB] Get: 6 http://deb.debian.org/debian trixie/main i386 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian trixie/main i386 tzdata all 2024a-3 [255 kB] Get: 8 http://deb.debian.org/debian trixie/main i386 readline-common all 8.2-4 [69.3 kB] Get: 9 http://deb.debian.org/debian trixie/main i386 libreadline8t64 i386 8.2-4 [171 kB] Get: 10 http://deb.debian.org/debian trixie/main i386 libpython3.11-stdlib i386 3.11.9-1 [1795 kB] Get: 11 http://deb.debian.org/debian trixie/main i386 python3.11 i386 3.11.9-1 [602 kB] Get: 12 http://deb.debian.org/debian trixie/main i386 libpython3-stdlib i386 3.11.8-1 [9336 B] Get: 13 http://deb.debian.org/debian trixie/main i386 python3 i386 3.11.8-1 [27.4 kB] Get: 14 http://deb.debian.org/debian trixie/main i386 sensible-utils all 0.0.22 [22.4 kB] Get: 15 http://deb.debian.org/debian trixie/main i386 libmagic-mgc i386 1:5.45-3 [314 kB] Get: 16 http://deb.debian.org/debian trixie/main i386 libmagic1t64 i386 1:5.45-3 [114 kB] Get: 17 http://deb.debian.org/debian trixie/main i386 file i386 1:5.45-3 [42.9 kB] Get: 18 http://deb.debian.org/debian trixie/main i386 gettext-base i386 0.21-14+b1 [162 kB] Get: 19 http://deb.debian.org/debian trixie/main i386 libuchardet0 i386 0.0.8-1+b1 [69.1 kB] Get: 20 http://deb.debian.org/debian trixie/main i386 groff-base i386 1.23.0-4 [1194 kB] Get: 21 http://deb.debian.org/debian trixie/main i386 bsdextrautils i386 2.40-8 [97.2 kB] Get: 22 http://deb.debian.org/debian trixie/main i386 libpipeline1 i386 1.5.7-2 [39.7 kB] Get: 23 http://deb.debian.org/debian trixie/main i386 man-db i386 2.12.1-1 [1421 kB] Get: 24 http://deb.debian.org/debian trixie/main i386 libbsd0 i386 0.12.2-1 [134 kB] Get: 25 http://deb.debian.org/debian trixie/main i386 libedit2 i386 3.1-20230828-1+b1 [97.8 kB] Get: 26 http://deb.debian.org/debian trixie/main i386 libcbor0.10 i386 0.10.2-1.1 [30.7 kB] Get: 27 http://deb.debian.org/debian trixie/main i386 libfido2-1 i386 1.14.0-1+b2 [87.4 kB] Get: 28 http://deb.debian.org/debian trixie/main i386 libkrb5support0 i386 1.20.1-6+b1 [36.1 kB] Get: 29 http://deb.debian.org/debian trixie/main i386 libcom-err2 i386 1.47.1~rc2-1 [22.8 kB] Get: 30 http://deb.debian.org/debian trixie/main i386 libk5crypto3 i386 1.20.1-6+b1 [83.2 kB] Get: 31 http://deb.debian.org/debian trixie/main i386 libkeyutils1 i386 1.6.3-3 [9432 B] Get: 32 http://deb.debian.org/debian trixie/main i386 libkrb5-3 i386 1.20.1-6+b1 [360 kB] Get: 33 http://deb.debian.org/debian trixie/main i386 libgssapi-krb5-2 i386 1.20.1-6+b1 [145 kB] Get: 34 http://deb.debian.org/debian trixie/main i386 openssh-client i386 1:9.7p1-4 [991 kB] Get: 35 http://deb.debian.org/debian trixie/main i386 ucf all 3.0043+nmu1 [55.2 kB] Get: 36 http://deb.debian.org/debian trixie/main i386 m4 i386 1.4.19-4 [293 kB] Get: 37 http://deb.debian.org/debian trixie/main i386 autoconf all 2.71-3 [332 kB] Get: 38 http://deb.debian.org/debian trixie/main i386 autotools-dev all 20220109.1 [51.6 kB] Get: 39 http://deb.debian.org/debian trixie/main i386 automake all 1:1.16.5-1.3 [823 kB] Get: 40 http://deb.debian.org/debian trixie/main i386 autopoint all 0.21-14 [496 kB] Get: 41 http://deb.debian.org/debian trixie/main i386 libdebhelper-perl all 13.15.3 [88.0 kB] Get: 42 http://deb.debian.org/debian trixie/main i386 libtool all 2.4.7-7 [517 kB] Get: 43 http://deb.debian.org/debian trixie/main i386 dh-autoreconf all 20 [17.1 kB] Get: 44 http://deb.debian.org/debian trixie/main i386 libarchive-zip-perl all 1.68-1 [104 kB] Get: 45 http://deb.debian.org/debian trixie/main i386 libsub-override-perl all 0.10-1 [10.6 kB] Get: 46 http://deb.debian.org/debian trixie/main i386 libfile-stripnondeterminism-perl all 1.13.1-1 [19.4 kB] Get: 47 http://deb.debian.org/debian trixie/main i386 dh-strip-nondeterminism all 1.13.1-1 [8620 B] Get: 48 http://deb.debian.org/debian trixie/main i386 libelf1t64 i386 0.191-1+b1 [194 kB] Get: 49 http://deb.debian.org/debian trixie/main i386 dwz i386 0.15-1+b1 [116 kB] Get: 50 http://deb.debian.org/debian trixie/main i386 libicu72 i386 72.1-4+b1 [9549 kB] Get: 51 http://deb.debian.org/debian trixie/main i386 libxml2 i386 2.9.14+dfsg-1.3+b3 [727 kB] Get: 52 http://deb.debian.org/debian trixie/main i386 gettext i386 0.21-14+b1 [1311 kB] Get: 53 http://deb.debian.org/debian trixie/main i386 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 54 http://deb.debian.org/debian trixie/main i386 po-debconf all 1.0.21+nmu1 [248 kB] Get: 55 http://deb.debian.org/debian trixie/main i386 debhelper all 13.15.3 [901 kB] Get: 56 http://deb.debian.org/debian trixie/main i386 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 57 http://deb.debian.org/debian trixie/main i386 fonts-dejavu-core all 2.37-8 [840 kB] Get: 58 http://deb.debian.org/debian trixie/main i386 fontconfig-config i386 2.15.0-1.1 [317 kB] Get: 59 http://deb.debian.org/debian trixie/main i386 fonts-lmodern all 2.005-1 [4540 kB] Get: 60 http://deb.debian.org/debian trixie/main i386 libgfortran5 i386 14-20240330-1 [735 kB] Get: 61 http://deb.debian.org/debian trixie/main i386 libgfortran-13-dev i386 13.2.0-24 [783 kB] Get: 62 http://deb.debian.org/debian trixie/main i386 gfortran-13-i686-linux-gnu i386 13.2.0-24 [11.1 MB] Get: 63 http://deb.debian.org/debian trixie/main i386 gfortran-13 i386 13.2.0-24 [12.2 kB] Get: 64 http://deb.debian.org/debian trixie/main i386 gfortran-i686-linux-gnu i386 4:13.2.0-7 [1280 B] Get: 65 http://deb.debian.org/debian trixie/main i386 gfortran i386 4:13.2.0-7 [1432 B] Get: 66 http://deb.debian.org/debian trixie/main i386 libnl-3-200 i386 3.7.0-0.3 [61.8 kB] Get: 67 http://deb.debian.org/debian trixie/main i386 libnl-route-3-200 i386 3.7.0-0.3 [193 kB] Get: 68 http://deb.debian.org/debian trixie/main i386 libibverbs1 i386 50.0-2+b1 [66.7 kB] Get: 69 http://deb.debian.org/debian trixie/main i386 ibverbs-providers i386 50.0-2+b1 [377 kB] Get: 70 http://deb.debian.org/debian trixie/main i386 libapache-pom-java all 29-2 [5276 B] Get: 71 http://deb.debian.org/debian trixie/main i386 libblas3 i386 3.12.0-3 [140 kB] Get: 72 http://deb.debian.org/debian trixie/main i386 libblas-dev i386 3.12.0-3 [152 kB] Get: 73 http://deb.debian.org/debian trixie/main i386 libbrotli1 i386 1.1.0-2+b3 [314 kB] Get: 74 http://deb.debian.org/debian trixie/main i386 libpng16-16t64 i386 1.6.43-5 [286 kB] Get: 75 http://deb.debian.org/debian trixie/main i386 libfreetype6 i386 2.13.2+dfsg-1+b4 [449 kB] Get: 76 http://deb.debian.org/debian trixie/main i386 libfontconfig1 i386 2.15.0-1.1 [401 kB] Get: 77 http://deb.debian.org/debian trixie/main i386 libpixman-1-0 i386 0.42.2-1+b1 [555 kB] Get: 78 http://deb.debian.org/debian trixie/main i386 libxau6 i386 1:1.0.9-1+b1 [18.5 kB] Get: 79 http://deb.debian.org/debian trixie/main i386 libxdmcp6 i386 1:1.1.2-3+b1 [24.8 kB] Get: 80 http://deb.debian.org/debian trixie/main i386 libxcb1 i386 1.15-1 [148 kB] Get: 81 http://deb.debian.org/debian trixie/main i386 libx11-data all 2:1.8.7-1 [328 kB] Get: 82 http://deb.debian.org/debian trixie/main i386 libx11-6 i386 2:1.8.7-1+b1 [822 kB] Get: 83 http://deb.debian.org/debian trixie/main i386 libxcb-render0 i386 1.15-1 [116 kB] Get: 84 http://deb.debian.org/debian trixie/main i386 libxcb-shm0 i386 1.15-1 [106 kB] Get: 85 http://deb.debian.org/debian trixie/main i386 libxext6 i386 2:1.3.4-1+b1 [55.3 kB] Get: 86 http://deb.debian.org/debian trixie/main i386 libxrender1 i386 1:0.9.10-1.1+b1 [28.8 kB] Get: 87 http://deb.debian.org/debian trixie/main i386 libcairo2 i386 1.18.0-3+b1 [588 kB] Get: 88 http://deb.debian.org/debian trixie/main i386 libcommons-parent-java all 56-1 [10.8 kB] Get: 89 http://deb.debian.org/debian trixie/main i386 libcommons-logging-java all 1.3.0-1 [68.6 kB] Get: 90 http://deb.debian.org/debian trixie/main i386 libevent-2.1-7t64 i386 2.1.12-stable-8.1+b3 [195 kB] Get: 91 http://deb.debian.org/debian trixie/main i386 libevent-core-2.1-7t64 i386 2.1.12-stable-8.1+b3 [140 kB] Get: 92 http://deb.debian.org/debian trixie/main i386 libevent-extra-2.1-7t64 i386 2.1.12-stable-8.1+b3 [113 kB] Get: 93 http://deb.debian.org/debian trixie/main i386 libevent-pthreads-2.1-7t64 i386 2.1.12-stable-8.1+b3 [54.3 kB] Get: 94 http://deb.debian.org/debian trixie/main i386 libevent-openssl-2.1-7t64 i386 2.1.12-stable-8.1+b3 [61.9 kB] Get: 95 http://deb.debian.org/debian trixie/main i386 libevent-dev i386 2.1.12-stable-8.1+b3 [325 kB] Get: 96 http://deb.debian.org/debian trixie/main i386 libpsm-infinipath1 i386 3.3+20.604758e7-6.3 [177 kB] Get: 97 http://deb.debian.org/debian trixie/main i386 librdmacm1t64 i386 50.0-2+b1 [76.0 kB] Get: 98 http://deb.debian.org/debian trixie/main i386 libfabric1 i386 1.17.0-3+b1 [540 kB] Get: 99 http://deb.debian.org/debian trixie/main i386 libfftw3-double3 i386 3.3.10-1+b2 [624 kB] Get: 100 http://deb.debian.org/debian trixie/main i386 libfftw3-long3 i386 3.3.10-1+b2 [339 kB] Get: 101 http://deb.debian.org/debian trixie/main i386 libfftw3-quad3 i386 3.3.10-1+b2 [1807 kB] Get: 102 http://deb.debian.org/debian trixie/main i386 libfftw3-single3 i386 3.3.10-1+b2 [645 kB] Get: 103 http://deb.debian.org/debian trixie/main i386 libfftw3-bin i386 3.3.10-1+b2 [50.8 kB] Get: 104 http://deb.debian.org/debian trixie/main i386 libfftw3-dev i386 3.3.10-1+b2 [3207 kB] Get: 105 http://deb.debian.org/debian trixie/main i386 libfontbox-java all 1:1.8.16-5 [211 kB] Get: 106 http://deb.debian.org/debian trixie/main i386 libglib2.0-0t64 i386 2.78.4-7 [1522 kB] Get: 107 http://deb.debian.org/debian trixie/main i386 libgraphite2-3 i386 1.3.14-2 [77.7 kB] Get: 108 http://deb.debian.org/debian trixie/main i386 libharfbuzz0b i386 8.3.0-2+b1 [2234 kB] Get: 109 http://deb.debian.org/debian trixie/main i386 libhwloc15 i386 2.10.0-1+b1 [175 kB] Get: 110 http://deb.debian.org/debian trixie/main i386 libnuma1 i386 2.0.18-1 [23.5 kB] Get: 111 http://deb.debian.org/debian trixie/main i386 libnuma-dev i386 2.0.18-1 [38.3 kB] Get: 112 http://deb.debian.org/debian trixie/main i386 libltdl7 i386 2.4.7-7+b1 [395 kB] Get: 113 http://deb.debian.org/debian trixie/main i386 libltdl-dev i386 2.4.7-7+b1 [167 kB] Get: 114 http://deb.debian.org/debian trixie/main i386 libhwloc-dev i386 2.10.0-1+b1 [268 kB] Get: 115 http://deb.debian.org/debian trixie/main i386 libpciaccess0 i386 0.17-3+b1 [53.8 kB] Get: 116 http://deb.debian.org/debian trixie/main i386 libxnvctrl0 i386 535.171.04-1 [13.7 kB] Get: 117 http://deb.debian.org/debian trixie/main i386 ocl-icd-libopencl1 i386 2.3.2-1+b1 [43.5 kB] Get: 118 http://deb.debian.org/debian trixie/main i386 libhwloc-plugins i386 2.10.0-1+b1 [18.4 kB] Get: 119 http://deb.debian.org/debian trixie/main i386 libnl-3-dev i386 3.7.0-0.3 [105 kB] Get: 120 http://deb.debian.org/debian trixie/main i386 libnl-route-3-dev i386 3.7.0-0.3 [223 kB] Get: 121 http://deb.debian.org/debian trixie/main i386 libibverbs-dev i386 50.0-2+b1 [693 kB] Get: 122 http://deb.debian.org/debian trixie/main i386 x11-common all 1:7.7+23 [252 kB] Get: 123 http://deb.debian.org/debian trixie/main i386 libice6 i386 2:1.0.10-1+b1 [58.6 kB] Get: 124 http://deb.debian.org/debian trixie/main i386 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 125 http://deb.debian.org/debian trixie/main i386 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 126 http://deb.debian.org/debian trixie/main i386 libkpathsea6 i386 2023.20230311.66589-9+b2 [157 kB] Get: 127 http://deb.debian.org/debian trixie/main i386 liblapack3 i386 3.12.0-3 [2167 kB] Get: 128 http://deb.debian.org/debian trixie/main i386 liblapack-dev i386 3.12.0-3 [4400 kB] Get: 129 http://deb.debian.org/debian trixie/main i386 libopenmpi3t64 i386 4.1.6-13.2 [2606 kB] Get: 130 http://deb.debian.org/debian trixie/main i386 openmpi-common all 4.1.6-13.2 [169 kB] Get: 131 http://deb.debian.org/debian trixie/main i386 zlib1g-dev i386 1:1.3.dfsg-3.1 [915 kB] Get: 132 http://deb.debian.org/debian trixie/main i386 openmpi-bin i386 4.1.6-13.2 [197 kB] Get: 133 http://deb.debian.org/debian trixie/main i386 libopenmpi-dev i386 4.1.6-13.2 [1020 kB] Get: 134 http://deb.debian.org/debian trixie/main i386 libpaper1 i386 1.1.29+b1 [13.0 kB] Get: 135 http://deb.debian.org/debian trixie/main i386 libpaper-utils i386 1.1.29+b1 [9280 B] Get: 136 http://deb.debian.org/debian trixie/main i386 libpdfbox-java all 1:1.8.16-5 [5527 kB] Get: 137 http://deb.debian.org/debian trixie/main i386 libpkgconf3 i386 1.8.1-1+b2 [38.5 kB] Get: 138 http://deb.debian.org/debian trixie/main i386 libpotrace0 i386 1.16-2+b1 [24.2 kB] Get: 139 http://deb.debian.org/debian trixie/main i386 libptexenc1 i386 2023.20230311.66589-9+b2 [48.3 kB] Get: 140 http://deb.debian.org/debian trixie/main i386 libsm6 i386 2:1.2.3-1+b1 [33.9 kB] Get: 141 http://deb.debian.org/debian trixie/main i386 libsynctex2 i386 2023.20230311.66589-9+b2 [64.9 kB] Get: 142 http://deb.debian.org/debian trixie/main i386 libteckit0 i386 2.5.12+ds1-1 [284 kB] Get: 143 http://deb.debian.org/debian trixie/main i386 libtexlua53-5 i386 2023.20230311.66589-9+b2 [128 kB] Get: 144 http://deb.debian.org/debian trixie/main i386 libwannier90-dev i386 3.1.0+ds-8 [468 kB] Get: 145 http://deb.debian.org/debian trixie/main i386 libxt6t64 i386 1:1.2.1-1.2 [193 kB] Get: 146 http://deb.debian.org/debian trixie/main i386 libxmu6 i386 2:1.1.3-3+b2 [60.5 kB] Get: 147 http://deb.debian.org/debian trixie/main i386 libxpm4 i386 1:3.5.17-1+b1 [57.8 kB] Get: 148 http://deb.debian.org/debian trixie/main i386 libxaw7 i386 2:1.0.14-1+b2 [208 kB] Get: 149 http://deb.debian.org/debian trixie/main i386 libxc9 i386 5.2.3-1+b1 [2521 kB] Get: 150 http://deb.debian.org/debian trixie/main i386 libxc-dev i386 5.2.3-1+b1 [5629 kB] Get: 151 http://deb.debian.org/debian trixie/main i386 libxi6 i386 2:1.8.1-1 [81.0 kB] Get: 152 http://deb.debian.org/debian trixie/main i386 libzzip-0-13t64 i386 0.13.72+dfsg.1-1.2+b1 [58.1 kB] Get: 153 http://deb.debian.org/debian trixie/main i386 mpi-default-bin i386 1.15 [2408 B] Get: 154 http://deb.debian.org/debian trixie/main i386 mpi-default-dev i386 1.15 [3152 B] Get: 155 http://deb.debian.org/debian trixie/main i386 pkgconf-bin i386 1.8.1-1+b2 [30.2 kB] Get: 156 http://deb.debian.org/debian trixie/main i386 pkgconf i386 1.8.1-1+b2 [26.2 kB] Get: 157 http://deb.debian.org/debian trixie/main i386 pkg-config i386 1.8.1-1+b2 [14.0 kB] Get: 158 http://deb.debian.org/debian trixie/main i386 tex-common all 6.18 [32.5 kB] Get: 159 http://deb.debian.org/debian trixie/main i386 preview-latex-style all 13.2-1 [350 kB] Get: 160 http://deb.debian.org/debian trixie/main i386 t1utils i386 1.41-4 [62.3 kB] Get: 161 http://deb.debian.org/debian trixie/main i386 texlive-binaries i386 2023.20230311.66589-9+b2 [8273 kB] Get: 162 http://deb.debian.org/debian trixie/main i386 xdg-utils all 1.1.3-4.1 [75.5 kB] Get: 163 http://deb.debian.org/debian trixie/main i386 texlive-base all 2023.20240207-1 [22.0 MB] Get: 164 http://deb.debian.org/debian trixie/main i386 texlive-latex-base all 2023.20240207-1 [1255 kB] Get: 165 http://deb.debian.org/debian trixie/main i386 texlive-latex-recommended all 2023.20240207-1 [8843 kB] Get: 166 http://deb.debian.org/debian trixie/main i386 texlive-pictures all 2023.20240207-1 [16.7 MB] Get: 167 http://deb.debian.org/debian trixie/main i386 texlive-latex-extra all 2023.20240207-1 [19.7 MB] Fetched 171 MB in 3s (53.2 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.11-minimal:i386. (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 ... 19683 files and directories currently installed.) Preparing to unpack .../libpython3.11-minimal_3.11.9-1_i386.deb ... Unpacking libpython3.11-minimal:i386 (3.11.9-1) ... Selecting previously unselected package libexpat1:i386. Preparing to unpack .../libexpat1_2.6.2-1_i386.deb ... Unpacking libexpat1:i386 (2.6.2-1) ... Selecting previously unselected package python3.11-minimal. Preparing to unpack .../python3.11-minimal_3.11.9-1_i386.deb ... Unpacking python3.11-minimal (3.11.9-1) ... Setting up libpython3.11-minimal:i386 (3.11.9-1) ... Setting up libexpat1:i386 (2.6.2-1) ... Setting up python3.11-minimal (3.11.9-1) ... Selecting previously unselected package python3-minimal. (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 ... 19999 files and directories currently installed.) Preparing to unpack .../0-python3-minimal_3.11.8-1_i386.deb ... Unpacking python3-minimal (3.11.8-1) ... Selecting previously unselected package media-types. Preparing to unpack .../1-media-types_10.1.0_all.deb ... Unpacking media-types (10.1.0) ... Selecting previously unselected package netbase. Preparing to unpack .../2-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../3-tzdata_2024a-3_all.deb ... Unpacking tzdata (2024a-3) ... Selecting previously unselected package readline-common. Preparing to unpack .../4-readline-common_8.2-4_all.deb ... Unpacking readline-common (8.2-4) ... Selecting previously unselected package libreadline8t64:i386. Preparing to unpack .../5-libreadline8t64_8.2-4_i386.deb ... Adding 'diversion of /lib/i386-linux-gnu/libhistory.so.8 to /lib/i386-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/i386-linux-gnu/libhistory.so.8.2 to /lib/i386-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/i386-linux-gnu/libreadline.so.8 to /lib/i386-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/i386-linux-gnu/libreadline.so.8.2 to /lib/i386-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:i386 (8.2-4) ... Selecting previously unselected package libpython3.11-stdlib:i386. Preparing to unpack .../6-libpython3.11-stdlib_3.11.9-1_i386.deb ... Unpacking libpython3.11-stdlib:i386 (3.11.9-1) ... Selecting previously unselected package python3.11. Preparing to unpack .../7-python3.11_3.11.9-1_i386.deb ... Unpacking python3.11 (3.11.9-1) ... Selecting previously unselected package libpython3-stdlib:i386. Preparing to unpack .../8-libpython3-stdlib_3.11.8-1_i386.deb ... Unpacking libpython3-stdlib:i386 (3.11.8-1) ... Setting up python3-minimal (3.11.8-1) ... Selecting previously unselected package python3. (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 ... 20991 files and directories currently installed.) Preparing to unpack .../000-python3_3.11.8-1_i386.deb ... Unpacking python3 (3.11.8-1) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../001-sensible-utils_0.0.22_all.deb ... Unpacking sensible-utils (0.0.22) ... Selecting previously unselected package libmagic-mgc. Preparing to unpack .../002-libmagic-mgc_1%3a5.45-3_i386.deb ... Unpacking libmagic-mgc (1:5.45-3) ... Selecting previously unselected package libmagic1t64:i386. Preparing to unpack .../003-libmagic1t64_1%3a5.45-3_i386.deb ... Unpacking libmagic1t64:i386 (1:5.45-3) ... Selecting previously unselected package file. Preparing to unpack .../004-file_1%3a5.45-3_i386.deb ... Unpacking file (1:5.45-3) ... Selecting previously unselected package gettext-base. Preparing to unpack .../005-gettext-base_0.21-14+b1_i386.deb ... Unpacking gettext-base (0.21-14+b1) ... Selecting previously unselected package libuchardet0:i386. Preparing to unpack .../006-libuchardet0_0.0.8-1+b1_i386.deb ... Unpacking libuchardet0:i386 (0.0.8-1+b1) ... Selecting previously unselected package groff-base. Preparing to unpack .../007-groff-base_1.23.0-4_i386.deb ... Unpacking groff-base (1.23.0-4) ... Selecting previously unselected package bsdextrautils. Preparing to unpack .../008-bsdextrautils_2.40-8_i386.deb ... Unpacking bsdextrautils (2.40-8) ... Selecting previously unselected package libpipeline1:i386. Preparing to unpack .../009-libpipeline1_1.5.7-2_i386.deb ... Unpacking libpipeline1:i386 (1.5.7-2) ... Selecting previously unselected package man-db. Preparing to unpack .../010-man-db_2.12.1-1_i386.deb ... Unpacking man-db (2.12.1-1) ... Selecting previously unselected package libbsd0:i386. Preparing to unpack .../011-libbsd0_0.12.2-1_i386.deb ... Unpacking libbsd0:i386 (0.12.2-1) ... Selecting previously unselected package libedit2:i386. Preparing to unpack .../012-libedit2_3.1-20230828-1+b1_i386.deb ... Unpacking libedit2:i386 (3.1-20230828-1+b1) ... Selecting previously unselected package libcbor0.10:i386. Preparing to unpack .../013-libcbor0.10_0.10.2-1.1_i386.deb ... Unpacking libcbor0.10:i386 (0.10.2-1.1) ... Selecting previously unselected package libfido2-1:i386. Preparing to unpack .../014-libfido2-1_1.14.0-1+b2_i386.deb ... Unpacking libfido2-1:i386 (1.14.0-1+b2) ... Selecting previously unselected package libkrb5support0:i386. Preparing to unpack .../015-libkrb5support0_1.20.1-6+b1_i386.deb ... Unpacking libkrb5support0:i386 (1.20.1-6+b1) ... Selecting previously unselected package libcom-err2:i386. Preparing to unpack .../016-libcom-err2_1.47.1~rc2-1_i386.deb ... Unpacking libcom-err2:i386 (1.47.1~rc2-1) ... Selecting previously unselected package libk5crypto3:i386. Preparing to unpack .../017-libk5crypto3_1.20.1-6+b1_i386.deb ... Unpacking libk5crypto3:i386 (1.20.1-6+b1) ... Selecting previously unselected package libkeyutils1:i386. Preparing to unpack .../018-libkeyutils1_1.6.3-3_i386.deb ... Unpacking libkeyutils1:i386 (1.6.3-3) ... Selecting previously unselected package libkrb5-3:i386. Preparing to unpack .../019-libkrb5-3_1.20.1-6+b1_i386.deb ... Unpacking libkrb5-3:i386 (1.20.1-6+b1) ... Selecting previously unselected package libgssapi-krb5-2:i386. Preparing to unpack .../020-libgssapi-krb5-2_1.20.1-6+b1_i386.deb ... Unpacking libgssapi-krb5-2:i386 (1.20.1-6+b1) ... Selecting previously unselected package openssh-client. Preparing to unpack .../021-openssh-client_1%3a9.7p1-4_i386.deb ... Unpacking openssh-client (1:9.7p1-4) ... Selecting previously unselected package ucf. Preparing to unpack .../022-ucf_3.0043+nmu1_all.deb ... Moving old data out of the way Unpacking ucf (3.0043+nmu1) ... Selecting previously unselected package m4. Preparing to unpack .../023-m4_1.4.19-4_i386.deb ... Unpacking m4 (1.4.19-4) ... Selecting previously unselected package autoconf. Preparing to unpack .../024-autoconf_2.71-3_all.deb ... Unpacking autoconf (2.71-3) ... Selecting previously unselected package autotools-dev. Preparing to unpack .../025-autotools-dev_20220109.1_all.deb ... Unpacking autotools-dev (20220109.1) ... Selecting previously unselected package automake. Preparing to unpack .../026-automake_1%3a1.16.5-1.3_all.deb ... Unpacking automake (1:1.16.5-1.3) ... Selecting previously unselected package autopoint. Preparing to unpack .../027-autopoint_0.21-14_all.deb ... Unpacking autopoint (0.21-14) ... Selecting previously unselected package libdebhelper-perl. Preparing to unpack .../028-libdebhelper-perl_13.15.3_all.deb ... Unpacking libdebhelper-perl (13.15.3) ... Selecting previously unselected package libtool. Preparing to unpack .../029-libtool_2.4.7-7_all.deb ... Unpacking libtool (2.4.7-7) ... Selecting previously unselected package dh-autoreconf. Preparing to unpack .../030-dh-autoreconf_20_all.deb ... Unpacking dh-autoreconf (20) ... Selecting previously unselected package libarchive-zip-perl. Preparing to unpack .../031-libarchive-zip-perl_1.68-1_all.deb ... Unpacking libarchive-zip-perl (1.68-1) ... Selecting previously unselected package libsub-override-perl. 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Setting up tzdata (2024a-3) ... Current default time zone: 'Etc/UTC' Local time is now: Tue Jun 10 17:58:09 UTC 2025. Universal Time is now: Tue Jun 10 17:58:09 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... Setting up libglib2.0-0t64:i386 (2.78.4-7) ... No schema files found: doing nothing. Setting up libblas3:i386 (3.12.0-3) ... update-alternatives: using /usr/lib/i386-linux-gnu/blas/libblas.so.3 to provide /usr/lib/i386-linux-gnu/libblas.so.3 (libblas.so.3-i386-linux-gnu) in auto mode Setting up libpkgconf3:i386 (1.8.1-1+b2) ... Setting up libzzip-0-13t64:i386 (0.13.72+dfsg.1-1.2+b1) ... Setting up libx11-data (2:1.8.7-1) ... Setting up libteckit0:i386 (2.5.12+ds1-1) ... Setting up libapache-pom-java (29-2) ... Setting up libfftw3-quad3:i386 (3.3.10-1+b2) ... Setting up t1utils (1.41-4) ... Setting up libtexlua53-5:i386 (2023.20230311.66589-9+b2) ... Setting up fonts-dejavu-mono (2.37-8) ... 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Reading state information... fakeroot is already the newest version (1.33-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package I: user script /srv/workspace/pbuilder/76416/tmp/hooks/A99_set_merged_usr starting Not re-configuring usrmerge for trixie I: user script /srv/workspace/pbuilder/76416/tmp/hooks/A99_set_merged_usr finished hostname: Name or service not known I: Running cd /build/reproducible-path/elkcode-9.2.12/ && 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 > ../elkcode_9.2.12-1_source.changes dpkg-buildpackage: info: source package elkcode dpkg-buildpackage: info: source version 9.2.12-1 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Michael Banck dpkg-source --before-build . dpkg-buildpackage: info: host architecture i386 fakeroot debian/rules clean dh clean dh_auto_clean make -j21 clean make[1]: Entering directory '/build/reproducible-path/elkcode-9.2.12' cd src; make cleanall make[2]: Entering directory '/build/reproducible-path/elkcode-9.2.12/src' make clean make[3]: Entering directory '/build/reproducible-path/elkcode-9.2.12/src' rm -f *.o *.mod *~ *.a ifc* *.gcno gmon.out *.aux *.dvi *.log \ elk.pdf elk.lst *.tex *.toc *.out elk make[3]: Leaving directory '/build/reproducible-path/elkcode-9.2.12/src' make[2]: Leaving directory '/build/reproducible-path/elkcode-9.2.12/src' cd src/eos; make clean make[2]: Entering directory '/build/reproducible-path/elkcode-9.2.12/src/eos' rm -f *.o *.mod *~ fort.* ifc* *.gcno *.OUT gmon.out eos make[2]: Leaving directory '/build/reproducible-path/elkcode-9.2.12/src/eos' cd src/spacegroup; make clean make[2]: Entering directory '/build/reproducible-path/elkcode-9.2.12/src/spacegroup' rm -f *.o *.mod *~ fort.* ifc* *.gcno *.OUT *.xsf *.ascii gmon.out \ *.aux *.dvi *.log *.pdf *.tex *.toc *.out spacegroup make[2]: Leaving directory '/build/reproducible-path/elkcode-9.2.12/src/spacegroup' cd tests; rm -rf test-*/*.OUT test-*/RUNNING test-*/test.log rm -f *.o *.mod *~ fort.* ifc* *.gcno *.exe make[1]: Leaving directory '/build/reproducible-path/elkcode-9.2.12' dh_clean debian/rules build dh build dh_update_autotools_config dh_autoreconf dh_auto_configure debian/rules override_dh_auto_build make[1]: Entering directory '/build/reproducible-path/elkcode-9.2.12' dh_auto_build --no-parallel make -j1 "INSTALL=install --strip-program=true" make[2]: Entering directory '/build/reproducible-path/elkcode-9.2.12' cd src; make all make[3]: Entering directory '/build/reproducible-path/elkcode-9.2.12/src' mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modmain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modmpi.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modramdisk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c libxcf90.f90 libxcf90.f90:3554:26: 3554 | subroutine c_to_f_string(c_string, f_string) | ^ Warning: 'c_to_f_string' defined but not used [-Wunused-function] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c libxcifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modxcifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modfxcifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moddftu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modrdm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modphonon.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modtest.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modrandom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modpw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modvars.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modtddft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modgw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modbog.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moddelf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modomp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mkl_stub.f90 mkl_stub.f90:8:42: 8 | subroutine mkl_set_num_threads(num_threads) | 1 Warning: Unused dummy argument 'num_threads' at (1) [-Wunused-dummy-argument] mkl_stub.f90:13:54: 13 | integer function mkl_set_num_threads_local(num_threads) | 1 Warning: Unused dummy argument 'num_threads' at (1) [-Wunused-dummy-argument] mkl_stub.f90:19:34: 19 | subroutine mkl_set_dynamic(dynamic) | 1 Warning: Unused dummy argument 'dynamic' at (1) [-Wunused-dummy-argument] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mkl_init.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modw90.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfftifc_fftw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cfftifc_fftw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c elk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c factn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c factr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c factn2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mtm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3vo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gcd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c axangsu2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradzvcln.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentpmae.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfcmtwr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cfcmtwr.f90 cfcmtwr.f90:19:16: 19 | cfmt(i:i+3)=(pi*wr(ir))*cfmt(i:i+3) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cfcmtwr.f90:26:16: 26 | cfmt(i:i+n)=(t1*wr(ir))*cfmt(i:i+n) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cfcmtwr.f90:33:14: 33 | cfmt(i:i+n)=(t1*wr(ir))*cfmt(i:i+n) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c projsbf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradzf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c timesec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtftoc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ztorfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtctof.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnfvz.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c energynn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gaunt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potxcmt.f90 potxcmt.f90:33:50: 33 | real(8), allocatable :: mag(:,:),bxc(:,:),tau(:,:) | ^ Warning: 'tau.offset' may be used uninitialized [-Wmaybe-uninitialized] potxcmt.f90:33:50: Warning: 'tau.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] potxcmt.f90:33:41: 33 | real(8), allocatable :: mag(:,:),bxc(:,:),tau(:,:) | ^ Warning: 'bxc.offset' may be used uninitialized [-Wmaybe-uninitialized] potxcmt.f90:118:49: 118 | if (tssxc) mag(:,1:ndmag)=mag(:,1:ndmag)*sxcscf | ^ Warning: 'bxc.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] potxcmt.f90:33:41: 33 | real(8), allocatable :: mag(:,:),bxc(:,:),tau(:,:) | ^ note: 'bxc.dim[0].ubound' was declared here potxcmt.f90:33:41: Warning: 'bxc.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta_mp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta_mp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta_fd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta_fd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writelsj.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnzh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gensmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gensfacgp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomag.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wsplintp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c checkmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c reciplat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradrf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencfrm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mixadapt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zftrf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sbessel.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengclgq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencfun.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genstress.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c force.f90 force.f90:150:52: 150 | t1=t1-t2*rfmtint(nr,nri,wrmt(:,is),grfmt(:,i)) | ^ Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] force.f90:84:23: 84 | real(8) fav(3),ca,t1,t2 | ^ note: 't2' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvbmatk.f90 genvbmatk.f90:186:10: 186 | wf21(i)=(v(i)+b(i))*wf11(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genvbmatk.f90:187:10: 187 | wf22(i)=(v(i)-b(i))*wf12(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genvbmatk.f90:170:10: 170 | wf21(i)=(v(i)+b3(i))*wf11(i)+cmplx(b1(i),-b2(i),8)*wf12(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genvbmatk.f90:171:10: 171 | wf22(i)=(v(i)-b3(i))*wf12(i)+cmplx(b1(i),b2(i),8)*wf11(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c forcek.f90 forcek.f90:147:78: 147 | call zgemv('N',nstfv,nstfv,zone,ffv,nstfv,evecsv(i,j),1,zzero,y,1) | ^ Warning: 'evecsv.offset' may be used uninitialized [-Wmaybe-uninitialized] forcek.f90:40:68: 40 | complex(8), allocatable :: apwalm(:,:,:,:),evecfv(:,:,:),evecsv(:,:) | ^ note: 'evecsv.offset' was declared here forcek.f90:147:78: 147 | call zgemv('N',nstfv,nstfv,zone,ffv,nstfv,evecsv(i,j),1,zzero,y,1) | ^ Warning: 'evecsv.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] forcek.f90:40:68: 40 | complex(8), allocatable :: apwalm(:,:,:,:),evecfv(:,:,:),evecsv(:,:) | ^ note: 'evecsv.dim[1].stride' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeepsinv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olprad.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c polark.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hflocal.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mixbroyden.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c grad2rfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c clebgor.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfirctof.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c effmass.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zpotcoul.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sfacmag.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c polynm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c epsinv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfinpc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeiad.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genapwfr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengclq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c addbfsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genylmv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genexpmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sphcover.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sctovec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genppts.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnzg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fderiv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genpmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genexpmat.f90 genexpmat.f90:26:39: 26 | complex(8), allocatable :: evecsv1(:,:),evecsv2(:,:) | ^ Warning: 'evecsv1.offset' may be used uninitialized [-Wmaybe-uninitialized] genexpmat.f90:26:39: Warning: 'evecsv1.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeforces.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3cross.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c match.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genspchi0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potefield.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhoinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnsv.f90 eveqnsv.f90:99:21: 99 | wfmt0(1:npc,ist)=wfmt1(1:npc,ist) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:242:21: 242 | wfgp0(1:ngp,ist)=evecfv(1:ngp,ist) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:256:21: 256 | wfir2(1:ngtot)=bsir(1:ngtot,ndmag)*wfir1(1:ngtot) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:263:23: 263 | wfir2(1:ngtot)=cmplx(bsir(1:ngtot,1),-bsir(1:ngtot,2),8)*wfir1(1:ngtot) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:277:33: 277 | wfir1(igfft(igpig(igp)))=t1*wfgp0(igp,jst) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:280:21: 280 | wfir1(1:ngtot)=wfir1(1:ngtot)*cfunir(1:ngtot) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:84:16: 84 | do ias=1,natmtot | ^ Warning: 'a1' may be used uninitialized [-Wmaybe-uninitialized] eveqnsv.f90:26:10: 26 | real(8) a1,a2,a3,t1 | ^ note: 'a1' was declared here eveqnsv.f90:84:16: 84 | do ias=1,natmtot | ^ Warning: 'a2' may be used uninitialized [-Wmaybe-uninitialized] eveqnsv.f90:26:13: 26 | real(8) a1,a2,a3,t1 | ^ note: 'a2' was declared here eveqnsv.f90:84:16: 84 | do ias=1,natmtot | ^ Warning: 'a3' may be used uninitialized [-Wmaybe-uninitialized] eveqnsv.f90:26:16: 26 | real(8) a1,a2,a3,t1 | ^ note: 'a3' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c roteuler.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genrmesh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c splint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wavefcr.f90 wavefcr.f90:84:28: 84 | if (lm1 > 0) wfcr(i1,1)=t0*c1 | 1 Warning: Possible change of value in conversion from REAL(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:85:28: 85 | if (lm2 > 0) wfcr(i2,2)=t0*c2 | 1 Warning: Possible change of value in conversion from REAL(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:93:21: 93 | wfcr(i+lm,1)=t1*zbshti(lm,lm1) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:98:21: 98 | wfcr(i+lm,2)=t2*zbshti(lm,lm2) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:120:28: 120 | if (lm1 > 0) wfcr(i1,1)=t0*c1 | 1 Warning: Possible change of value in conversion from REAL(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:121:28: 121 | if (lm2 > 0) wfcr(i2,2)=t0*c2 | 1 Warning: Possible change of value in conversion from REAL(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:129:21: 129 | wfcr(i+lm,1)=t1*zbshto(lm,lm1) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:134:21: 134 | wfcr(i+lm,2)=t2*zbshto(lm,lm2) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:84:33: 84 | if (lm1 > 0) wfcr(i1,1)=t0*c1 | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] wavefcr.f90:19:12: 19 | integer i,i1,i2 | ^ note: 'i1' was declared here wavefcr.f90:85:33: 85 | if (lm2 > 0) wfcr(i2,2)=t0*c2 | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] wavefcr.f90:19:15: 19 | integer i,i1,i2 | ^ note: 'i2' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c lopzflm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c brzint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rotdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genylmg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentaucr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readinput.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c numlist.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hermite.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genfspecies.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c atpstep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmatls.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writechg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rbsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genlofr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rotrfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genpmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rvfcross.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeinfo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mossbauer.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c initoep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c i3minv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genidxlo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c nuclei.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeefg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevsp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencore.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mtv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3minv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3frac.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genapwlofr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gridsize.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrfir.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c erf.f90 erf.f90:8:0: 8 | elemental real(8) function erf(x) | Warning: 'erf' declared at (1) is also the name of an intrinsic. It can only be called via an explicit interface or if declared EXTERNAL. [-Wintrinsic-shadow] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c geomplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ylmroty.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ssfext.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writestate.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta_sq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potxcir.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potxc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rcfmtinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhoplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c occupy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symveca.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c jprplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvmatk.f90 genvmatk.f90:57:19: 57 | wfmt1(1:npc)=vmt(1:npc,ias)*wfmt(1:npc,ias,ispn,jst) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genvmatk.f90:95:18: 95 | wfir(1:ngtot)=vir(1:ngtot)*wfir(1:ngtot) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c geomopt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnss.f90 eveqnss.f90:72:63: 72 | if (ssdph) wfmt1(1:npc,ist,ispn)=zq*wfmt1(1:npc,ist,ispn) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] eveqnss.f90:25:13: 25 | complex(8) zq | ^ note: 'REALPART_EXPR ' was declared here eveqnss.f90:72:63: 72 | if (ssdph) wfmt1(1:npc,ist,ispn)=zq*wfmt1(1:npc,ist,ispn) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] eveqnss.f90:25:13: 25 | complex(8) zq | ^ note: 'IMAGPART_EXPR ' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hartfock.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfpw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlxbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlxbsek.f90 hmlxbsek.f90:51:16: 51 | cvclir(:,l)=cvclir(:,l)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmldbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmldbsek.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradwfcr2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oepresk.f90 oepresk.f90:22:47: 22 | complex(4), allocatable :: cfmt1(:),cvfmt1(:,:) | ^ Warning: 'cvfmt1.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] oepresk.f90:24:52: 24 | complex(4), allocatable :: cvfmt2(:,:,:),cvfir2(:,:) | ^ Warning: 'cvfir2.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] oepresk.f90:24:40: 24 | complex(4), allocatable :: cvfmt2(:,:,:),cvfir2(:,:) | ^ Warning: 'cvfmt2.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c addlorbcnd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c energy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oepvcl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oepvclk.f90 oepvclk.f90:137:18: 137 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c polar.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dbxcplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sbesseldm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writehmlbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dielectric_bse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vecplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c nesting.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c emdplot3d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c emdplot2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c emdplot1d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfhkintp.f90 rfhkintp.f90:65:34: 65 | t2=(vhpl(1)-v0(1))*dble(ngridk(1)) | ^ Warning: 'v0[0]' may be used uninitialized [-Wmaybe-uninitialized] rfhkintp.f90:20:13: 20 | real(8) v0(3),v1(3),v2(3),t1,t2 | ^ note: 'v0[0]' was declared here rfhkintp.f90:71:34: 71 | t2=(vhpl(2)-v0(2))*dble(ngridk(2)) | ^ Warning: 'v0[1]' may be used uninitialized [-Wmaybe-uninitialized] rfhkintp.f90:20:13: 20 | real(8) v0(3),v1(3),v2(3),t1,t2 | ^ note: 'v0[1]' was declared here rfhkintp.f90:75:34: 75 | t2=(vhpl(3)-v0(3))*dble(ngridk(3)) | ^ Warning: 'v0[2]' may be used uninitialized [-Wmaybe-uninitialized] rfhkintp.f90:20:13: 20 | real(8) v0(3),v1(3),v2(3),t1,t2 | ^ note: 'v0[2]' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writewfpw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vblocal.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writefsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getwfpw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotpt1d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findsymcrys.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotpt3d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c elnes.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fermisurfbxsf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genspecies.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeexpmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writekpts.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfcrplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops 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LDFLAGS` -c ggair_sp_1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_2a.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_2a.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_2b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_2b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_sp_2a.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_sp_2a.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_sp_2b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_sp_2b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeemd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c reademd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall 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`dpkg-buildflags --get LDFLAGS` -c pade.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wsplint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gensocfr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c pades.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genscss.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfcmtwr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c nonlinopt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writelat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhocore.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rcfinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readspecies.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findband.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c exxengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentauk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradrfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c checkfsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genrlmv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mae.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegvecrf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zcfmtwr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfmtsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpistl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlistl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpalo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlalo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olplolo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmllolo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpaa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlaa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengclg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomagsh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c charge.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moment.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfint0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mdet.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencfrc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c checkstop.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genbs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradwf2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c closefiles.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writelinen.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtlm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putpmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp 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wfmtfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putkmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getkmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putepsinv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getcfgq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevalsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevalsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevecsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevecsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genshtmat.f90 genshtmat.f90:77:12: 77 | cbshti(:,:)=zbshti(:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genshtmat.f90:78:12: 78 | cfshti(:,:)=zfshti(:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genshtmat.f90:125:12: 125 | cbshto(:,:)=zbshto(:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genshtmat.f90:126:12: 126 | cfshto(:,:)=zfshto(:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c allatoms.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevecfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevecfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops 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-c findkpt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genevfsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sortidx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c radnucl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrvf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeqpts.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rndevsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp 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genolpq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjlgprmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfinterp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fsmooth.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c axangrot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rotaxang.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wspline.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c splined.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findswidth.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findsymlat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writepmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genstrain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symmetry.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c linengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writestress.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eulerrot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cftwfir.f90 cftwfir.f90:31:43: 31 | wfir(igfc(igpig(igp,jspn)),ispn,ist)=t0*c(igp) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rschrodint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegclq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegeom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writemom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c curlrvf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genzvclmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjtot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math 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`dpkg-buildflags --get LDFLAGS` -c genjpr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnfvr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentau.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjlgpr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writestrain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writefermi.f90 mpif90 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-fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genlmirep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writespecies.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomagk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrvfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wigner3jf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ylmrot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wxcplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c massnucl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c straingkq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oepmain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdirac.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bandstr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sfacinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findscq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plot1d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plot2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plot3d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readstate.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnhf.f90 eveqnhf.f90:144:16: 144 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zbsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c i3mtv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c spline.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gauntyry.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findnjcmax.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gndstate.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sstask.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fermisurf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c spiralsc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c atom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c maginit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c exxengyk.f90 exxengyk.f90:113:16: 113 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moke.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlrad.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dos.f90 dos.f90:343:25: 343 | lm,elm(lm,ias) | ^ Warning: 'elm.offset' may be used uninitialized [-Wmaybe-uninitialized] dos.f90:60:50: 60 | real(8), allocatable :: dt(:,:),dp(:,:,:),elm(:,:) | ^ note: 'elm.offset' was declared here dos.f90:343:25: 343 | lm,elm(lm,ias) | ^ Warning: 'elm.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] dos.f90:60:50: 60 | real(8), allocatable :: dt(:,:),dp(:,:,:),elm(:,:) | ^ note: 'elm.dim[1].stride' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findprimcell.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotpt2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sfacrho.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bdipole.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dielectric.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c elfplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vclcore.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtwr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zvcldisp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vecfbz.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c lopzflmn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zpotclmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readfermi.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gensdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sphcrd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potcoul.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencrm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rminv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rtozfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfsvp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfsvp_sp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdiracint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rotzflm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c latvstep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradzfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cfsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfmtsv_sp.f90 wfmtsv_sp.f90:188:8: 188 | cf(1,:)=cf(1,:)+z*rf(1,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfirsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfirsv_sp.f90 wfirsv_sp.f90:50:27: 50 | wfir(1:n,ispn,j)=wfir(1:n,ispn,j)+z1*evecfv(1:n,ist,jspn) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wfirsv_sp.f90:54:20: 54 | wfgp(1:n)=wfgp(1:n)+z1*evecfv(1:n,ist,jspn) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wfirsv_sp.f90:70:20: 70 | wfir(1:n,1,j)=evecfv(1:n,k,1) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wfirsv_sp.f90:74:36: 74 | wfir(igf(igpig(igp,1)),1,j)=t0*evecfv(igp,k,1) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfsv_sp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_4.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_4.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c trzhmm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wigner3j.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengvc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potnucl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvsig.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findngkmax.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potks.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mtdmin.f90 mtdmin.f90:67:17: 67 | dmin=sqrt(d2m)-rm | ^ Warning: 'd2m' may be used uninitialized [-Wmaybe-uninitialized] mtdmin.f90:30:14: 30 | real(8) d2,d2m,r,r2,rm,dr,drm | ^ note: 'd2m' was declared here mtdmin.f90:67:17: 67 | dmin=sqrt(d2m)-rm | ^ Warning: 'rm' may be used uninitialized [-Wmaybe-uninitialized] mtdmin.f90:30:22: 30 | real(8) d2,d2m,r,r2,rm,dr,drm | ^ note: 'rm' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfcopy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomagv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genffacgp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c unitary.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zmdet.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtftoc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zminv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeeval.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mixerifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c splinew.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c nfftifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c batchdv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readevalsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readoccsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c z2mm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c z2mctm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c z2mmct.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zmctmu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zmctm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rzmctmu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moldyn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencrho.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cpotclmt.f90 cpotclmt.f90:90:5: 90 | g(2)=zsm | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:94:9: 94 | g(i+1)=zsm | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:97:5: 97 | g(n)=zsm+wp(j)*f(n-3)+wp(j+1)*f(n-2)+wp(j+2)*f(n-1)+wp(j+3)*f(n) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:31:13: 31 | f1(ir)=rl(ir,l1)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:32:13: 32 | f2(ir)=rl(ir,l2)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:37:13: 37 | f1(ir)=rl(ir,l1)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:38:13: 38 | f2(ir)=rl(ir,l2)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:45:16: 45 | cvclmt(i)=t0*(rl(ir,l3)*f3(ir)+rl(ir,l)*(c1-f1(ir))) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:49:16: 49 | cvclmt(i)=t0*(rl(ir,l3)*f3(ir)+rl(ir,l)*(c1-f1(ir))) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:62:13: 62 | f1(ir)=rl(ir,l1)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:63:13: 63 | f2(ir)=rl(ir,l2)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:70:16: 70 | cvclmt(i)=t0*(rl(ir,l3)*f3(ir)+rl(ir,l)*(c1-f1(ir))) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rbshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zbshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writejw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cbsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cbshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cfshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencvclmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zcfmtinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zcfinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cpotcoul.f90 cpotcoul.f90:98:17: 98 | cvclir(jg)=cvclir(jg)+z1*z2 | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotcoul.f90:101:17: 101 | cvclir(jg)=cvclir(jg)+t2*zlm(1) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotcoul.f90:108:13: 108 | cvclir(jg)=gclgp(ig)*cvclir(jg) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotcoul.f90:133:31: 133 | cvclmt(lm:i1:lmmaxi,ias)=cvclmt(lm:i1:lmmaxi,ias)+z1*rl(1:nri(is),l,is) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotcoul.f90:136:31: 136 | cvclmt(i0:i1:lmmaxo,ias)=cvclmt(i0:i1:lmmaxo,ias)+z1*rl(iro:nr(is),l,is) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotcoul.f90:145:31: 145 | cvclmt(i0:i1:lmmaxo,ias)=cvclmt(i0:i1:lmmaxo,ias)+z1*rl(iro:nr(is),l,is) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_5b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_5c.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_5b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_5c.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c piezoelt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c magnetoelt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zftcf.f90 zftcf.f90:29:8: 29 | cfft(:)=cfir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] zftcf.f90:42:14: 42 | ylm(lm)=z1*ylmgp(lm,ig) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c trimrfg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rmtavrg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dolpistl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmlistl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpaloq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlaloq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dolpalo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmlalo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmllolo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpaaq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dolpaa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmlaa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlaaq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c initeph.f90 initeph.f90:105:26: 105 | ephmkq(:,:,:,ik,iq)=ephmat(:,:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dengyeph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gndsteph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqneph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlepha.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlephb.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlephde.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getephmkq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ephdos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradrhomt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendcfun.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendvsig.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c drhomagsh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c doccupy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmlrad.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendwfsv.f90 gendwfsv.f90:32:58: 32 | complex(8), allocatable :: wfmt1(:,:),wfmt2(:),dwfmt1(:,:) | ^ Warning: 'dwfmt1.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dwfmtfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengqvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmatch.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writedvs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readdyn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dyntask.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dpotks.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dpotxc.f90 dpotxc.f90:72:55: 72 | dbmt(1:np,1)=fxcmt(1:np,ias,1,4)*drhomt(1:np,ias) | ^ Warning: 'dbmt.offset' may be used uninitialized [-Wmaybe-uninitialized] dpotxc.f90:16:44: 16 | complex(8), allocatable :: dvmt(:),dbmt(:,:) | ^ note: 'dbmt.offset' was declared here dpotxc.f90:72:55: 72 | dbmt(1:np,1)=fxcmt(1:np,ias,1,4)*drhomt(1:np,ias) | ^ Warning: 'dbmt.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] dpotxc.f90:16:44: 16 | complex(8), allocatable :: dvmt(:),dbmt(:,:) | ^ note: 'dbmt.dim[1].stride' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c deveqnfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dpotcoul.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c drhomagk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengvsmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dforce.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dforcek.f90 dforcek.f90:273:78: 273 | call zgemv('N',nstfv,nstfv,zone,ffv,nstfv,evecsv(i,j),1,zzero,y,1) | ^ Warning: 'devecsv.offset' may be used uninitialized [-Wmaybe-uninitialized] dforcek.f90:30:51: 30 | complex(8), allocatable :: evecsv(:,:),devecsv(:,:) | ^ note: 'devecsv.offset' was declared here dforcek.f90:273:78: 273 | call zgemv('N',nstfv,nstfv,zone,ffv,nstfv,evecsv(i,j),1,zzero,y,1) | ^ Warning: 'devecsv.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] dforcek.f90:30:51: 30 | complex(8), allocatable :: evecsv(:,:),devecsv(:,:) | ^ note: 'devecsv.dim[1].stride' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynqtor.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynevs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phonon.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynrtoq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mcmillan.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genephmat.f90 genephmat.f90:104:15: 104 | wfir2(:)=dvir(:,l)*wfir1(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengkqvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genmcph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putdevecfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getdevecfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putdevecsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getdevecsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phononsc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genscph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phdisp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynsymapp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynsym.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynev.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phdos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sumrule.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writephn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynfext.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegamma.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readgamma.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phlwidth.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c alpha2f.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writelambda.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ephcouple.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eliashberg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phscdvs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readdvs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readalpha2f.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendsocfr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bornechg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bectask.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c becfext.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putephmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getephmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_pzca.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_pwca.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_pbe.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_am05.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_xalpha.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_wc06.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c x_wc06.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c x_pbe.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c c_pbe.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c c_pbe_gcor.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_vbh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fxc_pwca.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tf_sp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tf1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tfvw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tfvw_sp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tfvw1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_vwlb.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendmatmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genveedu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tm2todm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tm3todm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmtotm3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writedftu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sbesseli.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c shankeli.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genfdu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genfdufr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c engyfdu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findlambda.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vmatmtsc.f90 vmatmtsc.f90:29:49: 29 | vmatmti(1:lmmaxi,1:lmmaxi,ispn,jspn,ias)=c(1:lmmaxi,1:lmmaxi) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] vmatmtsc.f90:37:35: 37 | vmatmto(:,:,ispn,jspn,ias)=c(:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvmatmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vmatmtdu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vmatmtftm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fyukawa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fyukawa0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readdmatmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetm3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendmftm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeftm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetdtm3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwkpr0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tm3rtoz.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmwriteengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmminc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmvaryc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdedc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmengyxc.f90 rdmengyxc.f90:73:45: 73 | engyx=engyx-t2*vcl1221(ist2,ist1,ik2) | ^ Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] rdmengyxc.f90:24:13: 24 | real(8) t1,t2,t3,t4 | ^ note: 't2' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmminn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmvaryn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdkdc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmenergy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmwritededn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdedn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdexcdn.f90 rdmdexcdn.f90:77:63: 77 | dedn(ist2,ik2)=dedn(ist2,ik2)+t2*vcl1221(ist2,ist1,ik2) | ^ Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] rdmdexcdn.f90:31:13: 31 | real(8) t1,t2,t3,t4 | ^ note: 't2' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvcl1223.f90 genvcl1223.f90:110:16: 110 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getvcl1221.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getvcl1223.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writevcl1221.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writevcl1223.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdexcdc.f90 rdmdexcdc.f90:80:40: 80 | vcl1223(ist1,ist3,ist4,ik2) | ^ Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] rdmdexcdc.f90:29:13: 29 | real(8) t1,t2,t3 | ^ note: 't2' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdtsdn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmentropy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmeval.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvcl1221.f90 genvcl1221.f90:105:16: 105 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwlocal.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwgw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ksinvert.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gtwsum.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c minf_nm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c acpole.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwrhomag.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwdmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwefermi.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dysonr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwsefm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putgwsefm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getgwsefm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeigw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c polefit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwchgk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwsefmk.f90 gwsefmk.f90:143:16: 143 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwspecf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegwsf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c acgwse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fmin_nm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfpole.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwbandstr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwscrho.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeatdisp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetdforces.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readatdvc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetdengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writemomtd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tddftlr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhmlt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetddos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeafpdt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readafindt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvfxc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genfxcr.f90 genfxcr.f90:51:52: 51 | t1=sqrt(mag(i,1)**2+mag(i,2)**2+mag(i,3)**2) | ^ Warning: 'mag.offset' may be used uninitialized [-Wmaybe-uninitialized] genfxcr.f90:18:57: 18 | real(8), allocatable :: rho(:),rhoup(:),rhodn(:),mag(:,:) | ^ note: 'mag.offset' was declared here genfxcr.f90:18:57: Warning: 'mag.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tdtemp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetdlsj.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genspfxcr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvfxcg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tddftsplr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genspfxcg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genafieldt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetddft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dielectric_tdrt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readjtot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c afindtstep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genefieldt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c energytd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c engyknk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readforcet.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tdrestart.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeatdvc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhostatic.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c jtotk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhosplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bornecdyn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c becforce.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tdinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readrhos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengvnsmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhafspt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeaxsf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c atptstep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potkst.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tdbackup.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetimes.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readtimes.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentimes.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readafieldt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tddft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c timestep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetdjtk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfirctof.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevalu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writekpa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhdbulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vblocalu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c chargeu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c addbfsmu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c momentu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c occupyulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potksu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writevclr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genzvmatk.f90 genzvmatk.f90:45:19: 45 | wfmt1(1:npc)=zvmt(1:npc,ias)*wfmt(1:npc,ias,ispn,jst) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genzvmatk.f90:65:19: 65 | wfir1(1:ngtot)=zvir(1:ngtot)*wfir(1:ngtot,ispn,jst) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genzvbmatk.f90 genzvbmatk.f90:126:10: 126 | wf21(i)=(zv(i)+zb(i))*wf11(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genzvbmatk.f90:127:10: 127 | wf22(i)=(zv(i)-zb(i))*wf12(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genzvbmatk.f90:111:10: 111 | wf21(i)=(zv(i)+zb3(i))*wf11(i)+(zb1(i)-z1)*wf12(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genzvbmatk.f90:112:10: 112 | wf22(i)=(zv(i)-zb3(i))*wf12(i)+(zb1(i)+z1)*wf11(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomagq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeengyu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfzfftq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhocoreu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomaguk.f90 rhomaguk.f90:72:9: 72 | wo=occulr(j,ik0)*wkpt(ik) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhmlu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potxcu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeinfou.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vclqinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writechgrmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c initulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writemomrmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writestulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readstulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potefieldu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c puthdbulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gethdbulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potuinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readvclr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genkpakq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotu1d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotu2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotu3d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gndstulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potuplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potcoulu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhouplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c maguplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c initw90.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90win.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90eig.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c setupw90.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90mmn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90spn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmatuv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmatwx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnuv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnwxy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevaluv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c occupyuv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevaluv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevaluv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevecuv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevecuv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevecwxy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevecwxy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevalwx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevalwx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c aceplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevalwx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -o elk modmain.o modmpi.o modramdisk.o libxcf90.o libxcifc.o modxcifc.o modfxcifc.o moddftu.o modrdm.o modphonon.o modtest.o modrandom.o modpw.o modvars.o modtddft.o modgw.o modulr.o modbog.o moddelf.o modomp.o mkl_stub.o mkl_init.o modw90.o zfftifc_fftw.o cfftifc_fftw.o elk.o factn.o factr.o factn2.o r3mm.o r3mtm.o r3mmt.o r3vo.o gcd.o rfint.o symdmat.o axangsu2.o gradzvcln.o gentpmae.o zfcmtwr.o cfcmtwr.o projsbf.o gradzf.o timesec.o zfmtftoc.o ztorfmt.o zfmtctof.o eveqnfvz.o energynn.o gaunt.o potxcmt.o sdelta_mp.o stheta_mp.o sdelta_fd.o stheta_fd.o writelsj.o eveqnzh.o gensmatk.o gensfacgp.o rhomag.o wsplintp.o checkmt.o reciplat.o gradrf.o gencfrm.o mixadapt.o zftrf.o sbessel.o gengclgq.o gencfun.o genstress.o force.o genvbmatk.o forcek.o writeepsinv.o olprad.o polark.o zfmtinp.o hflocal.o mixbroyden.o grad2rfmt.o clebgor.o rfirctof.o effmass.o zpotcoul.o sfacmag.o polynm.o epsinv.o rfinpc.o writeiad.o genapwfr.o gengclq.o addbfsm.o genylmv.o olpfv.o hmlfv.o genexpmt.o rfinp.o sphcover.o sctovec.o genppts.o eveqnzg.o fderiv.o genpmat.o genexpmat.o writeforces.o r3cross.o match.o genspchi0.o potefield.o rhoinit.o eveqnsv.o roteuler.o genrmesh.o splint.o wavefcr.o lopzflm.o brzint.o rotdmat.o genylmg.o gentaucr.o readinput.o numlist.o hermite.o genfspecies.o atpstep.o dmatls.o writeengy.o writechg.o rbsht.o rfsht.o genlofr.o rotrfmt.o genpmatk.o rvfcross.o writeinfo.o mossbauer.o initoep.o i3minv.o r3mv.o genidxlo.o nuclei.o writeefg.o writeevsp.o gencore.o r3mtv.o r3minv.o r3frac.o genapwlofr.o gridsize.o symrfir.o erf.o geomplot.o ylmroty.o ssfext.o writestate.o sdelta_sq.o potxcir.o potxc.o rcfmtinp.o rhoplot.o occupy.o symveca.o jprplot.o genvmatk.o geomopt.o eveqnss.o hartfock.o potplot.o genwfpw.o hmlxbse.o hmlxbsek.o hmldbse.o hmldbsek.o gradwfcr2.o oepresk.o addlorbcnd.o energy.o wfplot.o oepvcl.o oepvclk.o polar.o dbxcplot.o sbesseldm.o writehmlbse.o dielectric_bse.o vecplot.o nesting.o writeevbse.o emdplot3d.o emdplot2d.o emdplot1d.o rfhkintp.o writewfpw.o vblocal.o writefsm.o getwfpw.o plotpt1d.o init1.o init2.o findsymcrys.o plotpt3d.o elnes.o fermisurfbxsf.o genspecies.o writeexpmat.o writekpts.o wfcrplot.o writedos.o energykncr.o ggamt_1.o ggair_1.o ggamt_sp_1.o ggair_sp_1.o ggamt_2a.o ggair_2a.o ggamt_2b.o ggair_2b.o ggamt_sp_2a.o ggair_sp_2a.o ggamt_sp_2b.o ggair_sp_2b.o writeemd.o reademd.o emdplot.o init3.o init4.o bfieldfsm.o testcheck.o pade.o wsplint.o gensocfr.o pades.o genscss.o rfcmtwr.o nonlinopt.o writelat.o rhocore.o rcfinp.o readspecies.o findband.o exxengy.o gentauk.o gradrfmt.o checkfsm.o genrlmv.o mae.o writegvecrf.o zcfmtwr.o wfmtsv.o olpistl.o hmlistl.o olpalo.o hmlalo.o olplolo.o hmllolo.o olpaa.o hmlaa.o gengclg.o rhomagsh.o charge.o moment.o rfint0.o r3mdet.o gencfrc.o checkstop.o genbs.o gradwf2.o closefiles.o writelinen.o rfmtlm.o putpmat.o getpmat.o rfmtpack.o zfmtpack.o putevalfv.o getevalfv.o wfmtfv.o putkmat.o getkmat.o putepsinv.o getcfgq.o putevalsv.o getevalsv.o getevecsv.o putevecsv.o genshtmat.o allatoms.o putevecfv.o getevecfv.o writesym.o putoccsv.o getoccsv.o torque.o findqpt.o findkpt.o genevfsv.o genwfsv.o sdelta.o stheta.o sortidx.o symmat.o radnucl.o symrvf.o writeqpts.o rndevsv.o gengkvec.o mixlinear.o writesf.o gengqf.o genkmat.o genolpq.o genjlgprmt.o rfinterp.o fsmooth.o axangrot.o rotaxang.o wspline.o splined.o findswidth.o findsymlat.o writepmat.o genstrain.o symmetry.o linengy.o writestress.o eulerrot.o cftwfir.o rschrodint.o writegclq.o writegeom.o writemom.o gendmat.o curlrvf.o genzvclmt.o genjtot.o symvec.o checkwrite.o genjprk.o proj2d.o genidxbse.o symrvfir.o genjpr.o eveqnfvr.o gentau.o genjlgpr.o writestrain.o writefermi.o rfmtctof.o findsym.o zfsht.o rhonorm.o genvchi0.o cfmtconj.o stheta_sq.o sdelta_lr.o stheta_lr.o findsymsite.o genlmirep.o writespecies.o rhomagk.o symrvfmt.o wigner3jf.o genhvec.o ylmrot.o wxcplot.o massnucl.o gendmatk.o rfplot.o straingkq.o eveqnit.o oepmain.o rdirac.o bandstr.o sfacinit.o findscq.o plot1d.o plot2d.o plot3d.o init0.o readstate.o eveqnhf.o zbsht.o i3mtv.o spline.o gauntyry.o findnjcmax.o gndstate.o sstask.o fermisurf.o spiralsc.o atom.o maginit.o exxengyk.o moke.o hmlrad.o dos.o findprimcell.o plotpt2d.o sfacrho.o bdipole.o dielectric.o elfplot.o vclcore.o zfmtwr.o zvcldisp.o vecfbz.o lopzflmn.o zpotclmt.o readfermi.o gensdmat.o symrfmt.o sphcrd.o potcoul.o gencrm.o rminv.o rtozfmt.o genwfsvp.o genwfsvp_sp.o rdiracint.o rotzflm.o latvstep.o gradzfmt.o eveqnfv.o cfsht.o wfmtsv_sp.o wfirsv.o wfirsv_sp.o genwfsv_sp.o ggamt_4.o ggair_4.o trzhmm.o gengvec.o wigner3j.o gengvc.o potnucl.o zfmtint.o rfmtint.o genvsig.o rfmtinp.o findngkmax.o potks.o mtdmin.o rfcopy.o rhomagv.o eveqn.o genffacgp.o unitary.o zmdet.o rfmtftoc.o zminv.o symrf.o genvmat.o writeeval.o mixerifc.o splinew.o nfftifc.o batchdv.o readevalsv.o readoccsv.o z2mm.o z2mctm.o z2mmct.o zmctmu.o zmctm.o rzmctmu.o moldyn.o gencrho.o cpotclmt.o rfmtsm.o rbshtip.o rfshtip.o zbshtip.o zfshtip.o writejw.o cbsht.o cbshtip.o cfshtip.o gencvclmt.o zcfmtinp.o zcfinp.o cpotcoul.o ggamt_5b.o ggamt_5c.o ggair_5b.o ggair_5c.o piezoelt.o magnetoelt.o zftcf.o trimrfg.o rmtavrg.o dolpistl.o dhmlistl.o olpaloq.o hmlaloq.o dolpalo.o dhmlalo.o dhmllolo.o olpaaq.o dolpaa.o dhmlaa.o hmlaaq.o initeph.o dengyeph.o gndsteph.o eveqneph.o hmlepha.o hmlephb.o hmlephde.o getephmkq.o ephdos.o gradrhomt.o gendcfun.o gendvsig.o drhomagsh.o doccupy.o dhmlrad.o gendwfsv.o dwfmtfv.o gengqvec.o dmatch.o writedvs.o readdyn.o dyntask.o dpotks.o dpotxc.o deveqnfv.o dpotcoul.o drhomagk.o gengvsmt.o dforce.o dforcek.o dynqtor.o dynevs.o phonon.o dynrtoq.o mcmillan.o genephmat.o gengkqvec.o genmcph.o putdevecfv.o getdevecfv.o putdevecsv.o getdevecsv.o phononsc.o genscph.o phdisp.o dynsymapp.o dynsym.o dynev.o phdos.o sumrule.o writephn.o dynfext.o writegamma.o readgamma.o phlwidth.o alpha2f.o writelambda.o ephcouple.o eliashberg.o phscdvs.o readdvs.o readalpha2f.o gendsocfr.o bornechg.o bectask.o becfext.o putephmat.o getephmat.o xc_pzca.o xc_pwca.o xc_pbe.o xc_am05.o xc_xalpha.o xc_wc06.o x_wc06.o x_pbe.o c_pbe.o c_pbe_gcor.o xc_vbh.o fxc_pwca.o k_tf.o k_tf_sp.o k_tf1.o k_tfvw.o k_tfvw_sp.o k_tfvw1.o k_vwlb.o gendmatmt.o genveedu.o tm2todm.o tm3todm.o dmtotm3.o writedftu.o sbesseli.o shankeli.o genfdu.o genfdufr.o engyfdu.o findlambda.o vmatmtsc.o genvmatmt.o vmatmtdu.o vmatmtftm.o fyukawa.o fyukawa0.o readdmatmt.o writetm.o writetm3.o gendmftm.o writeftm.o writetdtm3.o genwkpr0.o tm3rtoz.o rdmft.o rdmwriteengy.o rdmminc.o rdmvaryc.o rdmdedc.o rdmengyxc.o rdmminn.o rdmvaryn.o rdmdkdc.o rdmenergy.o rdmwritededn.o rdmdedn.o rdmdexcdn.o genvcl1223.o getvcl1221.o getvcl1223.o writevcl1221.o writevcl1223.o rdmdexcdc.o rdmdtsdn.o rdmentropy.o rdmeval.o genvcl1221.o gwdmat.o gwlocal.o genwgw.o ksinvert.o gtwsum.o minf_nm.o acpole.o gwrhomag.o gwdmatk.o gwefermi.o dysonr.o gwsefm.o putgwsefm.o getgwsefm.o writeigw.o polefit.o gwchgk.o gwsefmk.o gwspecf.o writegwsf.o acgwse.o fmin_nm.o zfpole.o gwbandstr.o gwscrho.o writeatdisp.o writetdforces.o readatdvc.o writetdengy.o writemomtd.o tddftlr.o genhmlt.o writetddos.o writeafpdt.o readafindt.o genvfxc.o genfxcr.o tdtemp.o writetdlsj.o genspfxcr.o genvfxcg.o tddftsplr.o genspfxcg.o genafieldt.o writetddft.o dielectric_tdrt.o readjtot.o afindtstep.o genefieldt.o energytd.o engyknk.o readforcet.o tdrestart.o writeatdvc.o rhostatic.o jtotk.o rhosplot.o bornecdyn.o becforce.o tdinit.o readrhos.o gengvnsmt.o genhafspt.o writeaxsf.o atptstep.o potkst.o tdbackup.o writetimes.o readtimes.o gentimes.o readafieldt.o genjr.o tddft.o timestep.o writetdjtk.o zfirctof.o writeevalu.o writekpa.o genhdbulr.o vblocalu.o chargeu.o addbfsmu.o momentu.o occupyulr.o potksu.o writevclr.o genzvmatk.o genzvbmatk.o rhomagq.o writeengyu.o rfzfftq.o rhocoreu.o eveqnulr.o rhomaguk.o genhmlu.o potxcu.o writeinfou.o zfplot.o vclqinit.o writechgrmt.o initulr.o writemomrmt.o writestulr.o readstulr.o potefieldu.o puthdbulr.o gethdbulr.o potuinit.o readvclr.o genkpakq.o plotu1d.o plotu2d.o plotu3d.o gndstulr.o plotulr.o potuplot.o potcoulu.o rhouplot.o maguplot.o initw90.o writew90.o writew90win.o writew90eig.o setupw90.o writew90mmn.o writew90spn.o dmatuv.o dmatwx.o eveqnuv.o eveqnwxy.o writeevaluv.o occupyuv.o putevaluv.o getevaluv.o putevecuv.o getevecuv.o putevecwxy.o getevecwxy.o putevalwx.o getevalwx.o aceplot.o writeevalwx.o -lblas -llapack `pkg-config --libs fftw3` `pkg-config --libs fftw3f` `pkg-config --cflags --libs libxc` -lxcf90 -lwannier make[3]: Leaving directory '/build/reproducible-path/elkcode-9.2.12/src' cd src/eos; make make[3]: Entering directory '/build/reproducible-path/elkcode-9.2.12/src/eos' mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modmain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c pveos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readinput.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getedata.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fitdata.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c output.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c minf_nm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fmin_nm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -o eos modmain.o eos.o eveos.o pveos.o readinput.o getedata.o fitdata.o output.o minf_nm.o fmin_nm.o make[3]: Leaving directory '/build/reproducible-path/elkcode-9.2.12/src/eos' cd src/spacegroup; make make[3]: Entering directory '/build/reproducible-path/elkcode-9.2.12/src/spacegroup' mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modmain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c main.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readinput.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencrystal.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sgsymb.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c seitzgen.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengroup.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c seitzeq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c seitzmul.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegeom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c geomplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findprimcell.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3frac.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3cross.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3minv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -o spacegroup modmain.o main.o readinput.o gencrystal.o sgsymb.o seitzgen.o gengroup.o seitzeq.o seitzmul.o writegeom.o geomplot.o findprimcell.o r3frac.o r3mv.o r3cross.o r3minv.o r3mm.o make[3]: Leaving directory '/build/reproducible-path/elkcode-9.2.12/src/spacegroup' make[2]: Leaving directory '/build/reproducible-path/elkcode-9.2.12' (cd src; /usr/bin/make doc) make[2]: Entering directory '/build/reproducible-path/elkcode-9.2.12/src' rm -f elk.aux elk.bbl elk.blg elk.log elk.pdf elk.tex elk.toc elk.lst LC_ALL=C ls modmain.f90 modmpi.f90 modramdisk.f90 libxcf90.f90 libxcifc.f90 modxcifc.f90 modfxcifc.f90 moddftu.f90 modrdm.f90 modphonon.f90 modtest.f90 modrandom.f90 modpw.f90 modvars.f90 modtddft.f90 modgw.f90 modulr.f90 modbog.f90 moddelf.f90 modomp.f90 mkl_stub.f90 mkl_init.f90 modw90.f90 factn.f90 factr.f90 factn2.f90 r3mm.f90 r3mtm.f90 r3mmt.f90 r3vo.f90 gcd.f90 rfint.f90 symdmat.f90 axangsu2.f90 gradzvcln.f90 gentpmae.f90 zfcmtwr.f90 cfcmtwr.f90 projsbf.f90 gradzf.f90 timesec.f90 zfmtftoc.f90 ztorfmt.f90 zfmtctof.f90 eveqnfvz.f90 energynn.f90 gaunt.f90 potxcmt.f90 sdelta_mp.f90 stheta_mp.f90 sdelta_fd.f90 stheta_fd.f90 writelsj.f90 eveqnzh.f90 gensmatk.f90 gensfacgp.f90 rhomag.f90 wsplintp.f90 checkmt.f90 reciplat.f90 gradrf.f90 gencfrm.f90 mixadapt.f90 zftrf.f90 sbessel.f90 gengclgq.f90 gencfun.f90 genstress.f90 force.f90 genvbmatk.f90 forcek.f90 writeepsinv.f90 olprad.f90 polark.f90 zfmtinp.f90 hflocal.f90 mixbroyden.f90 grad2rfmt.f90 clebgor.f90 rfirctof.f90 effmass.f90 zpotcoul.f90 sfacmag.f90 polynm.f90 epsinv.f90 rfinpc.f90 writeiad.f90 genapwfr.f90 gengclq.f90 addbfsm.f90 genylmv.f90 olpfv.f90 hmlfv.f90 genexpmt.f90 rfinp.f90 sphcover.f90 sctovec.f90 genppts.f90 eveqnzg.f90 fderiv.f90 genpmat.f90 genexpmat.f90 writeforces.f90 r3cross.f90 match.f90 genspchi0.f90 potefield.f90 rhoinit.f90 eveqnsv.f90 roteuler.f90 genrmesh.f90 splint.f90 wavefcr.f90 lopzflm.f90 brzint.f90 rotdmat.f90 genylmg.f90 gentaucr.f90 readinput.f90 numlist.f90 hermite.f90 genfspecies.f90 atpstep.f90 dmatls.f90 writeengy.f90 writechg.f90 rbsht.f90 rfsht.f90 genlofr.f90 rotrfmt.f90 genpmatk.f90 rvfcross.f90 writeinfo.f90 mossbauer.f90 initoep.f90 i3minv.f90 r3mv.f90 genidxlo.f90 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ggamt_sp_2a.f90 ggair_sp_2a.f90 ggamt_sp_2b.f90 ggair_sp_2b.f90 writeemd.f90 reademd.f90 emdplot.f90 init3.f90 init4.f90 bfieldfsm.f90 testcheck.f90 pade.f90 wsplint.f90 gensocfr.f90 pades.f90 genscss.f90 rfcmtwr.f90 nonlinopt.f90 writelat.f90 rhocore.f90 rcfinp.f90 readspecies.f90 findband.f90 exxengy.f90 gentauk.f90 gradrfmt.f90 checkfsm.f90 genrlmv.f90 mae.f90 writegvecrf.f90 zcfmtwr.f90 wfmtsv.f90 olpistl.f90 hmlistl.f90 olpalo.f90 hmlalo.f90 olplolo.f90 hmllolo.f90 olpaa.f90 hmlaa.f90 gengclg.f90 rhomagsh.f90 charge.f90 moment.f90 rfint0.f90 r3mdet.f90 gencfrc.f90 checkstop.f90 genbs.f90 gradwf2.f90 closefiles.f90 writelinen.f90 rfmtlm.f90 putpmat.f90 getpmat.f90 rfmtpack.f90 zfmtpack.f90 putevalfv.f90 getevalfv.f90 wfmtfv.f90 putkmat.f90 getkmat.f90 putepsinv.f90 getcfgq.f90 putevalsv.f90 getevalsv.f90 getevecsv.f90 putevecsv.f90 genshtmat.f90 allatoms.f90 putevecfv.f90 getevecfv.f90 writesym.f90 putoccsv.f90 getoccsv.f90 torque.f90 findqpt.f90 findkpt.f90 genevfsv.f90 genwfsv.f90 sdelta.f90 stheta.f90 sortidx.f90 symmat.f90 radnucl.f90 symrvf.f90 writeqpts.f90 rndevsv.f90 gengkvec.f90 mixlinear.f90 writesf.f90 gengqf.f90 genkmat.f90 genolpq.f90 genjlgprmt.f90 rfinterp.f90 fsmooth.f90 axangrot.f90 rotaxang.f90 wspline.f90 splined.f90 findswidth.f90 findsymlat.f90 writepmat.f90 genstrain.f90 symmetry.f90 linengy.f90 writestress.f90 eulerrot.f90 cftwfir.f90 rschrodint.f90 writegclq.f90 writegeom.f90 writemom.f90 gendmat.f90 curlrvf.f90 genzvclmt.f90 genjtot.f90 symvec.f90 checkwrite.f90 genjprk.f90 proj2d.f90 genidxbse.f90 symrvfir.f90 genjpr.f90 eveqnfvr.f90 gentau.f90 genjlgpr.f90 writestrain.f90 writefermi.f90 rfmtctof.f90 findsym.f90 zfsht.f90 rhonorm.f90 genvchi0.f90 cfmtconj.f90 stheta_sq.f90 sdelta_lr.f90 stheta_lr.f90 findsymsite.f90 genlmirep.f90 writespecies.f90 rhomagk.f90 symrvfmt.f90 wigner3jf.f90 genhvec.f90 ylmrot.f90 wxcplot.f90 massnucl.f90 gendmatk.f90 rfplot.f90 straingkq.f90 eveqnit.f90 oepmain.f90 rdirac.f90 bandstr.f90 sfacinit.f90 findscq.f90 plot1d.f90 plot2d.f90 plot3d.f90 init0.f90 readstate.f90 eveqnhf.f90 zbsht.f90 i3mtv.f90 spline.f90 gauntyry.f90 findnjcmax.f90 gndstate.f90 sstask.f90 fermisurf.f90 spiralsc.f90 atom.f90 maginit.f90 exxengyk.f90 moke.f90 hmlrad.f90 dos.f90 findprimcell.f90 plotpt2d.f90 sfacrho.f90 bdipole.f90 dielectric.f90 elfplot.f90 vclcore.f90 zfmtwr.f90 zvcldisp.f90 vecfbz.f90 lopzflmn.f90 zpotclmt.f90 readfermi.f90 gensdmat.f90 symrfmt.f90 sphcrd.f90 potcoul.f90 gencrm.f90 rminv.f90 rtozfmt.f90 genwfsvp.f90 genwfsvp_sp.f90 rdiracint.f90 rotzflm.f90 latvstep.f90 gradzfmt.f90 eveqnfv.f90 cfsht.f90 wfmtsv_sp.f90 wfirsv.f90 wfirsv_sp.f90 genwfsv_sp.f90 ggamt_4.f90 ggair_4.f90 trzhmm.f90 gengvec.f90 wigner3j.f90 gengvc.f90 potnucl.f90 zfmtint.f90 rfmtint.f90 genvsig.f90 rfmtinp.f90 findngkmax.f90 potks.f90 mtdmin.f90 rfcopy.f90 rhomagv.f90 eveqn.f90 genffacgp.f90 unitary.f90 zmdet.f90 rfmtftoc.f90 zminv.f90 symrf.f90 genvmat.f90 writeeval.f90 mixerifc.f90 splinew.f90 nfftifc.f90 batchdv.f90 readevalsv.f90 readoccsv.f90 z2mm.f90 z2mctm.f90 z2mmct.f90 zmctmu.f90 zmctm.f90 rzmctmu.f90 moldyn.f90 gencrho.f90 cpotclmt.f90 rfmtsm.f90 rbshtip.f90 rfshtip.f90 zbshtip.f90 zfshtip.f90 writejw.f90 cbsht.f90 cbshtip.f90 cfshtip.f90 gencvclmt.f90 zcfmtinp.f90 zcfinp.f90 cpotcoul.f90 ggamt_5b.f90 ggamt_5c.f90 ggair_5b.f90 ggair_5c.f90 piezoelt.f90 magnetoelt.f90 zftcf.f90 trimrfg.f90 rmtavrg.f90 xc_pzca.f90 xc_pwca.f90 xc_pbe.f90 xc_am05.f90 xc_xalpha.f90 xc_wc06.f90 x_wc06.f90 x_pbe.f90 c_pbe.f90 c_pbe_gcor.f90 xc_vbh.f90 fxc_pwca.f90 k_tf.f90 k_tf_sp.f90 k_tf1.f90 k_tfvw.f90 k_tfvw_sp.f90 k_tfvw1.f90 k_vwlb.f90 dolpistl.f90 dhmlistl.f90 olpaloq.f90 hmlaloq.f90 dolpalo.f90 dhmlalo.f90 dhmllolo.f90 olpaaq.f90 dolpaa.f90 dhmlaa.f90 hmlaaq.f90 initeph.f90 dengyeph.f90 gndsteph.f90 eveqneph.f90 hmlepha.f90 hmlephb.f90 hmlephde.f90 getephmkq.f90 ephdos.f90 gradrhomt.f90 gendcfun.f90 gendvsig.f90 drhomagsh.f90 doccupy.f90 dhmlrad.f90 gendwfsv.f90 dwfmtfv.f90 gengqvec.f90 dmatch.f90 writedvs.f90 readdyn.f90 dyntask.f90 dpotks.f90 dpotxc.f90 deveqnfv.f90 dpotcoul.f90 drhomagk.f90 gengvsmt.f90 dforce.f90 dforcek.f90 dynqtor.f90 dynevs.f90 phonon.f90 dynrtoq.f90 mcmillan.f90 genephmat.f90 gengkqvec.f90 genmcph.f90 putdevecfv.f90 getdevecfv.f90 putdevecsv.f90 getdevecsv.f90 phononsc.f90 genscph.f90 phdisp.f90 dynsymapp.f90 dynsym.f90 dynev.f90 phdos.f90 sumrule.f90 writephn.f90 dynfext.f90 writegamma.f90 readgamma.f90 phlwidth.f90 alpha2f.f90 writelambda.f90 ephcouple.f90 eliashberg.f90 phscdvs.f90 readdvs.f90 readalpha2f.f90 gendsocfr.f90 bornechg.f90 bectask.f90 becfext.f90 putephmat.f90 getephmat.f90 gendmatmt.f90 genveedu.f90 tm2todm.f90 tm3todm.f90 dmtotm3.f90 writedftu.f90 sbesseli.f90 shankeli.f90 genfdu.f90 genfdufr.f90 engyfdu.f90 findlambda.f90 vmatmtsc.f90 genvmatmt.f90 vmatmtdu.f90 vmatmtftm.f90 fyukawa.f90 fyukawa0.f90 readdmatmt.f90 writetm.f90 writetm3.f90 gendmftm.f90 writeftm.f90 writetdtm3.f90 genwkpr0.f90 tm3rtoz.f90 \ rdmft.f90 rdmwriteengy.f90 rdmminc.f90 rdmvaryc.f90 rdmdedc.f90 rdmengyxc.f90 rdmminn.f90 rdmvaryn.f90 rdmdkdc.f90 rdmenergy.f90 rdmwritededn.f90 rdmdedn.f90 rdmdexcdn.f90 genvcl1223.f90 getvcl1221.f90 getvcl1223.f90 writevcl1221.f90 writevcl1223.f90 rdmdexcdc.f90 rdmdtsdn.f90 rdmentropy.f90 rdmeval.f90 genvcl1221.f90 writeatdisp.f90 writetdforces.f90 readatdvc.f90 writetdengy.f90 writemomtd.f90 tddftlr.f90 genhmlt.f90 writetddos.f90 writeafpdt.f90 readafindt.f90 genvfxc.f90 genfxcr.f90 tdtemp.f90 writetdlsj.f90 genspfxcr.f90 genvfxcg.f90 tddftsplr.f90 genspfxcg.f90 genafieldt.f90 writetddft.f90 dielectric_tdrt.f90 readjtot.f90 afindtstep.f90 genefieldt.f90 energytd.f90 engyknk.f90 readforcet.f90 tdrestart.f90 writeatdvc.f90 rhostatic.f90 jtotk.f90 rhosplot.f90 bornecdyn.f90 becforce.f90 tdinit.f90 readrhos.f90 gengvnsmt.f90 genhafspt.f90 writeaxsf.f90 atptstep.f90 potkst.f90 tdbackup.f90 writetimes.f90 readtimes.f90 gentimes.f90 readafieldt.f90 genjr.f90 tddft.f90 timestep.f90 writetdjtk.f90 gwdmat.f90 gwlocal.f90 genwgw.f90 ksinvert.f90 gtwsum.f90 minf_nm.f90 acpole.f90 gwrhomag.f90 gwdmatk.f90 gwefermi.f90 dysonr.f90 gwsefm.f90 putgwsefm.f90 getgwsefm.f90 writeigw.f90 polefit.f90 gwchgk.f90 gwsefmk.f90 gwspecf.f90 writegwsf.f90 acgwse.f90 fmin_nm.f90 zfpole.f90 gwbandstr.f90 gwscrho.f90 > elk.lst ./protex -F -s elk.f90 $(cat elk.lst) > elk.tex pdflatex elk;pdflatex elk;pdflatex elk This is pdfTeX, Version 3.141592653-2.6-1.40.25 (TeX Live 2023/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./elk.tex LaTeX2e <2023-11-01> patch level 1 L3 programming layer <2024-01-22> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2023/05/17 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/auxhook/auxhook.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) No file elk.aux. (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map} <./elk_silhouette.pdf>] No file elk.toc. [2] [3] [4] [5] [6] Overfull \hbox (14.77765pt too wide) in paragraph at lines 325--325 [] \OT1/cmtt/m/n/10.95 1 0 1 2.00000 T : nsp, ls p, ksp, occsp, spcore[] [7] [8] [9] [10] [11] [12] [13] Overfull \hbox (0.95221pt too wide) in paragraph at lines 679--683 []\OT1/cmr/m/n/10.95 If \OT1/cmtt/m/n/10.95 fracinr \OT1/cmr/m/n/10.95 is neg-a -tive then the frac-tion is de-ter-mined from $\OML/cmm/m/it/10.95 f \OT1/cmr/m /n/10.95 = []$ [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28] [29] [30] Overfull \hbox (13.04211pt too wide) in paragraph at lines 1477--1480 []\OT1/cmr/m/n/10.95 When this vari-able is \OT1/cmtt/m/n/10.95 .true.\OT1/cmr/ m/n/10.95 , the screened in-ter-ac-tion used in a $\OML/cmm/m/it/10.95 GW$ \OT1 /cmr/m/n/10.95 cal-cu-la-tion $\OML/cmm/m/it/10.95 W\OT1/cmr/m/n/10.95 (\OT1/cm r/bx/n/10.95 G\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 G[]\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 q\OML/cmm/m/it/10.95 ; !\OT1/cmr/m/n/10.95 )$ [31] [32] [33] [34] Underfull \hbox (badness 10000) in paragraph at lines 1677--1678 Underfull \hbox (badness 10000) in paragraph at lines 1707--1708 [35] Overfull \hbox (26.27502pt too wide) in paragraph at lines 1731--1731 [] \OT1/cmtt/m/n/10.95 subroutine atom(sol,ptnucl,zn,nst,n,l,k,occ,xctype,xcgra d,nr,r,eval,rho,vr,rwf) Overfull \hbox (26.27502pt too wide) in paragraph at lines 1749--1749 [] \OT1/cmtt/m/n/10.95 eval : eigenvalue without rest-mass energy for eac h state (out,real(nst))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1749--1749 [] \OT1/cmtt/m/n/10.95 rwf : major and minor components of radial wavefu nctions for each state[] Underfull \hbox (badness 10000) in paragraph at lines 1750--1751 [36] Underfull \hbox (badness 10000) in paragraph at lines 1774--1775 Underfull \hbox (badness 10000) in paragraph at lines 1802--1803 Underfull \hbox (badness 10000) in paragraph at lines 1824--1825 [37] Underfull \hbox (badness 10000) in paragraph at lines 1847--1848 Underfull \hbox (badness 10000) in paragraph at lines 1872--1873 [38] Underfull \hbox (badness 10000) in paragraph at lines 1909--1910 [39] Underfull \hbox (badness 10000) in paragraph at lines 1945--1946 [40] Underfull \hbox (badness 10000) in paragraph at lines 1969--1970 Underfull \hbox (badness 10000) in paragraph at lines 1990--1991 Underfull \hbox (badness 10000) in paragraph at lines 2013--2014 [41] Underfull \hbox (badness 10000) in paragraph at lines 2037--2038 [42] Underfull \hbox (badness 10000) in paragraph at lines 2066--2067 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2095--2095 [] \OT1/cmtt/m/n/10.95 tocc : .true. if just the occupied orbitals should contribute to the DOS[] Underfull \hbox (badness 10000) in paragraph at lines 2096--2097 [43] Underfull \hbox (badness 10000) in paragraph at lines 2129--2130 [44] Underfull \hbox (badness 10000) in paragraph at lines 2166--2167 Underfull \hbox (badness 10000) in paragraph at lines 2189--2190 [45] [46] Underfull \hbox (badness 10000) in paragraph at lines 2253--2254 Underfull \hbox (badness 10000) in paragraph at lines 2273--2274 Underfull \hbox (badness 10000) in paragraph at lines 2294--2295 [47] Underfull \hbox (badness 10000) in paragraph at lines 2319--2320 [48] Underfull \hbox (badness 10000) in paragraph at lines 2348--2349 Underfull \hbox (badness 10000) in paragraph at lines 2376--2377 [49] Underfull \hbox (badness 10000) in paragraph at lines 2401--2402 Underfull \hbox (badness 10000) in paragraph at lines 2424--2425 [50] Overfull \hbox (32.02371pt too wide) in paragraph at lines 2455--2455 [] \OT1/cmtt/m/n/10.95 demax : maximum allowed change from the input energy ; enforced only if e < 0[] Underfull \hbox (badness 10000) in paragraph at lines 2456--2457 [51] Underfull \hbox (badness 10000) in paragraph at lines 2488--2489 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2517--2517 [] \OT1/cmtt/m/n/10.95 nspnfv : number of first-variational spin components : 1 normal case, 2 for[] Underfull \hbox (badness 10000) in paragraph at lines 2518--2519 [52] Underfull \hbox (badness 10000) in paragraph at lines 2540--2541 Underfull \hbox (badness 10000) in paragraph at lines 2562--2563 [53] Overfull \hbox (9.02896pt too wide) in paragraph at lines 2599--2599 [] \OT1/cmtt/m/n/10.95 lspl : spatial rotation element in lattice point gro up for each symmetry[] Underfull \hbox (badness 10000) in paragraph at lines 2600--2601 Underfull \hbox (badness 10000) in paragraph at lines 2628--2629 [54] Underfull \hbox (badness 10000) in paragraph at lines 2661--2662 [55] Underfull \hbox (badness 10000) in paragraph at lines 2690--2691 [56] Underfull \hbox (badness 10000) in paragraph at lines 2767--2768 Underfull \hbox (badness 10000) in paragraph at lines 2789--2790 [57] Underfull \hbox (badness 10000) in paragraph at lines 2813--2814 [58] Underfull \hbox (badness 10000) in paragraph at lines 2838--2839 Underfull \hbox (badness 10000) in paragraph at lines 2859--2860 Underfull \hbox (badness 10000) in paragraph at lines 2884--2885 [59] Underfull \hbox (badness 10000) in paragraph at lines 2906--2907 Underfull \hbox (badness 10000) in paragraph at lines 2926--2927 [60] Underfull \hbox (badness 10000) in paragraph at lines 2956--2957 Underfull \hbox (badness 10000) in paragraph at lines 2983--2984 [61] Underfull \hbox (badness 10000) in paragraph at lines 3014--3015 [62] Underfull \hbox (badness 10000) in paragraph at lines 3048--3049 Underfull \hbox (badness 10000) in paragraph at lines 3071--3072 [63] Underfull \hbox (badness 10000) in paragraph at lines 3093--3094 Underfull \hbox (badness 10000) in paragraph at lines 3113--3114 [64] Overfull \hbox (32.02371pt too wide) in paragraph at lines 3149--3149 [] \OT1/cmtt/m/n/10.95 pure subroutine gengkvec(ngv,ivg,vgc,vkl,vkc,gkmax,ngkma x,ngk,igkig,vgkl,vgkc, & Underfull \hbox (badness 10000) in paragraph at lines 3162--3163 [65] Underfull \hbox (badness 10000) in paragraph at lines 3183--3184 Underfull \hbox (badness 10000) in paragraph at lines 3207--3208 [66] Underfull \hbox (badness 10000) in paragraph at lines 3232--3233 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3257--3257 [] \OT1/cmtt/m/n/10.95 first-variational basis; second-variational otherwise (in,logical)[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3257--3257 [] \OT1/cmtt/m/n/10.95 tvclvr : .true. if the non-local Coulomb potential f rom the core states is[] Underfull \hbox (badness 10000) in paragraph at lines 3258--3259 [67] Underfull \hbox (badness 10000) in paragraph at lines 3277--3278 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3310--3310 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,inte ger(ngkmax,nspnfv))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3310--3310 [] \OT1/cmtt/m/n/10.95 vgpc : G+p-vectors in Cartesian coordinates (in,rea l(3,ngkmax,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3311--3312 [68] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3337--3337 [] \OT1/cmtt/m/n/10.95 subroutine genppts(tfbz,nsym,sym,ngridp,npptnr,epslat,bv ec,boxl,nppt,ipvip, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 3363--3363 [] \OT1/cmtt/m/n/10.95 tfbz : .true. if vpl and vpc should be mapped to the first Brillouin zone Overfull \hbox (26.27502pt too wide) in paragraph at lines 3363--3363 [] \OT1/cmtt/m/n/10.95 nsym : number of point group symmetries used for reduction, set to 1 for[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3363--3363 [] \OT1/cmtt/m/n/10.95 npptnr : number of non-reduced p-points: ngridp(1)* ngridp(2)*ngridp(3)[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3363--3363 [] \OT1/cmtt/m/n/10.95 boxl : corners of box containing p-points in latt ice coordinates, the[] Underfull \hbox (badness 10000) in paragraph at lines 3364--3365 [69] Underfull \hbox (badness 10000) in paragraph at lines 3402--3403 [70] Underfull \hbox (badness 10000) in paragraph at lines 3433--3434 Underfull \hbox (badness 10000) in paragraph at lines 3455--3456 [71] Underfull \hbox (badness 10000) in paragraph at lines 3477--3478 Underfull \hbox (badness 10000) in paragraph at lines 3497--3498 [72] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3529--3529 [] \OT1/cmtt/m/n/10.95 jlgqr : spherical Bessel functions evaluated on the coarse radial mesh for[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3529--3529 [] \OT1/cmtt/m/n/10.95 ylmgq : spherical harmonics of the G+q-vectors (in, complex(lmmaxo,ngrf))[] Underfull \hbox (badness 10000) in paragraph at lines 3530--3531 [73] Underfull \hbox (badness 10000) in paragraph at lines 3580--3581 Overfull \hbox (2.63586pt too wide) in paragraph at lines 3583--3585 []\OT1/cmr/m/n/10.95 Calculates the Coulomb ma-trix el-e-ments of the type $\OM L/cmm/m/it/10.95 V\OT1/cmr/m/n/10.95 (1\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/ 10.95 1)$. See the rou-tine \OT1/cmtt/m/n/10.95 genvcl1223 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3600--3600 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3601--3602 [74] Underfull \hbox (badness 10000) in paragraph at lines 3628--3629 Underfull \hbox (badness 10000) in paragraph at lines 3649--3650 [75] Underfull \hbox (badness 10000) in paragraph at lines 3672--3673 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3691--3691 [] \OT1/cmtt/m/n/10.95 subroutine genwfsv(tsh,tgp,nst,idx,ngdg,igf,ngp,igpig,ap walm,evecfv,evecsv, & Overfull \hbox (20.52634pt too wide) in paragraph at lines 3712--3712 [] \OT1/cmtt/m/n/10.95 tsh : .true. if wfmt should be in spherical harmo nic basis (in,logical) Overfull \hbox (3.28027pt too wide) in paragraph at lines 3712--3712 [] \OT1/cmtt/m/n/10.95 tgp : .true. if wfir should be in G+p-space, othe rwise in real-space[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3712--3712 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3712--3712 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3712--3712 [] \OT1/cmtt/m/n/10.95 wfmt : muffin-tin part of the wavefunctions for ev ery state in spherical[] Underfull \hbox (badness 10000) in paragraph at lines 3713--3714 [76] Underfull \hbox (badness 10000) in paragraph at lines 3736--3737 Underfull \hbox (badness 10000) in paragraph at lines 3757--3758 [77] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3786--3786 [] \OT1/cmtt/m/n/10.95 vgpl : G+p-vectors in lattice coordinates (out,rea l(3,ngkmax,nspnfv))[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3786--3786 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (out,complex (nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3787--3788 [78] Underfull \hbox (badness 10000) in paragraph at lines 3811--3812 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3831--3831 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3832--3833 Underfull \hbox (badness 10000) in paragraph at lines 3851--3852 [79] Underfull \hbox (badness 10000) in paragraph at lines 3869--3870 Underfull \hbox (badness 10000) in paragraph at lines 3887--3888 [80] Underfull \hbox (badness 10000) in paragraph at lines 3914--3915 Underfull \hbox (badness 10000) in paragraph at lines 3940--3941 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3962--3962 [] \OT1/cmtt/m/n/10.95 subroutine ggair_sp_2b(g2up,g2dn,gvup,gvdn,vxup,vxdn,vcu p,vcdn,dxdgu2,dxdgd2, & [81] Underfull \hbox (badness 10000) in paragraph at lines 3964--3965 Underfull \hbox (badness 10000) in paragraph at lines 3983--3984 Underfull \hbox (badness 10000) in paragraph at lines 4001--4002 [82] Underfull \hbox (badness 10000) in paragraph at lines 4019--4020 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4035--4035 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_1(is,np,rhoup,rhodn,grho,gup,gdn,g2u p,g2dn,g3rho,g3up,g3dn) Underfull \hbox (badness 10000) in paragraph at lines 4049--4050 [83] Overfull \hbox (14.77765pt too wide) in paragraph at lines 4074--4074 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2a(is,np,rhoup,rhodn,g2up,g2dn,gvup, gvdn,gup2,gdn2,gupdn) Underfull \hbox (badness 10000) in paragraph at lines 4076--4077 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4128--4128 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2b(is,np,g2up,g2dn,gvup,gvdn,vxup,vx dn,vcup,vcdn,dxdgu2, & Underfull \hbox (badness 10000) in paragraph at lines 4130--4131 [84] Underfull \hbox (badness 10000) in paragraph at lines 4155--4156 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4185--4185 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the m uffin-tin (in,integer)[] [85] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4185--4185 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial m esh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4186--4187 Overfull \hbox (3.28027pt too wide) in paragraph at lines 4217--4217 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4218--4219 [86] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4248--4248 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4249--4250 [87] Underfull \hbox (badness 10000) in paragraph at lines 4293--4294 [88] Underfull \hbox (badness 10000) in paragraph at lines 4319--4320 Underfull \hbox (badness 10000) in paragraph at lines 4348--4349 [89] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4375--4375 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 4376--4377 [90] Underfull \hbox (badness 10000) in paragraph at lines 4399--4400 Underfull \hbox (badness 10000) in paragraph at lines 4423--4424 [91] Underfull \hbox (badness 10000) in paragraph at lines 4454--4455 Underfull \hbox (badness 10000) in paragraph at lines 4474--4475 [92] Underfull \hbox (badness 10000) in paragraph at lines 4501--4502 Underfull \hbox (badness 10000) in paragraph at lines 4525--4526 [93] Underfull \hbox (badness 10000) in paragraph at lines 4548--4549 Underfull \hbox (badness 10000) in paragraph at lines 4571--4572 [94] Underfull \hbox (badness 10000) in paragraph at lines 4602--4603 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4636--4636 [] \OT1/cmtt/m/n/10.95 subroutine xcifc_libxc(xctype,n,tempa,rho,rhoup,rhodn,g2 rho,g2up,g2dn,grho2, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 4636--4636 [] \OT1/cmtt/m/n/10.95 gup2,gdn2,gupdn,tau,tauup,taudn,ex,ec,vx,vc,vxup,vxdn,v cup,vcdn,dxdgr2,dxdgu2,&[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4636--4636 [] \OT1/cmtt/m/n/10.95 dxdgd2,dxdgud,dcdgr2,dcdgu2,dcdgd2,dcdgud,dxdg2r,dxdg2u ,dxdg2d,dcdg2r,dcdg2u, &[] [95] Underfull \hbox (badness 10000) in paragraph at lines 4682--4683 Overfull \hbox (6.55638pt too wide) in paragraph at lines 4685--4689 \OT1/cmtt/m/n/10.95 http://www.tddft.org/programs/octopus/wiki/index.php/Libxc\ OT1/cmr/m/n/10.95 . The sec-ond and third [96] Underfull \hbox (badness 10000) in paragraph at lines 4710--4711 Underfull \hbox (badness 10000) in paragraph at lines 4734--4735 [97] Underfull \hbox (badness 10000) in paragraph at lines 4758--4759 [98] Underfull \hbox (badness 10000) in paragraph at lines 4795--4796 [99] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4843--4843 [] \OT1/cmtt/m/n/10.95 nu : current output vector as well as the next input vector of the[] Underfull \hbox (badness 10000) in paragraph at lines 4844--4845 Underfull \hbox (badness 10000) in paragraph at lines 4874--4875 [100] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4900--4900 [] \OT1/cmtt/m/n/10.95 subroutine xcifc(xctype,n,tempa,rho,rhoup,rhodn,grho,gup ,gdn,g2rho,g2up,g2dn, & Overfull \hbox (26.27502pt too wide) in paragraph at lines 4900--4900 [] \OT1/cmtt/m/n/10.95 g3rho,g3up,g3dn,grho2,gup2,gdn2,gupdn,tau,tauup,taudn,e x,ec,vx,vc,vxup,vxdn, &[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4900--4900 [] \OT1/cmtt/m/n/10.95 vcup,vcdn,dxdgr2,dxdgu2,dxdgd2,dxdgud,dcdgr2,dcdgu2,dcd gd2,dcdgud,dxdg2r, &[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4900--4900 [] \OT1/cmtt/m/n/10.95 dxdg2u,dxdg2d,dcdg2r,dcdg2u,dcdg2d,wx,wxup,wxdn,wc,wcup ,wcdn,dtdr,dtdru,dtdrd,&[] [101] Underfull \hbox (badness 10000) in paragraph at lines 4960--4961 [102] Underfull \hbox (badness 10000) in paragraph at lines 4994--4995 Underfull \hbox (badness 10000) in paragraph at lines 5018--5019 [103] Underfull \hbox (badness 10000) in paragraph at lines 5039--5040 Overfull \hbox (32.02371pt too wide) in paragraph at lines 5051--5051 [] \OT1/cmtt/m/n/10.95 Contact hyperfine field evaluated at the nuclear rad ius rather than averaged[] Underfull \hbox (badness 10000) in paragraph at lines 5065--5066 [104] Underfull \hbox (badness 10000) in paragraph at lines 5086--5087 Underfull \hbox (badness 10000) in paragraph at lines 5109--5110 [105] Underfull \hbox (badness 10000) in paragraph at lines 5139--5140 Underfull \hbox (badness 10000) in paragraph at lines 5164--5165 [106] Underfull \hbox (badness 10000) in paragraph at lines 5187--5188 Underfull \hbox (badness 10000) in paragraph at lines 5219--5220 [107] Underfull \hbox (badness 10000) in paragraph at lines 5245--5246 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5270--5270 [] \OT1/cmtt/m/n/10.95 tproj : .true. if nf=3 and the vector function shoul d be projected onto the Underfull \hbox (badness 10000) in paragraph at lines 5271--5272 [108] Underfull \hbox (badness 10000) in paragraph at lines 5295--5296 Overfull \hbox (3.28027pt too wide) in paragraph at lines 5322--5322 [] \OT1/cmtt/m/n/10.95 vpl : connecting point vectors in lattice coordinat es (out,real(3,np))[] Underfull \hbox (badness 10000) in paragraph at lines 5323--5324 [109] Underfull \hbox (badness 10000) in paragraph at lines 5351--5352 Underfull \hbox (badness 10000) in paragraph at lines 5381--5382 [110] Underfull \hbox (badness 10000) in paragraph at lines 5403--5404 Underfull \hbox (badness 10000) in paragraph at lines 5426--5427 Overfull \hbox (0.21347pt too wide) in paragraph at lines 5429--5432 []\OT1/cmr/m/n/10.95 Computes the Kohn-Sham ef-fec-tive po-ten-tial by adding t o-gether the Coulomb and exchange- [111] Underfull \hbox (badness 10000) in paragraph at lines 5450--5451 Underfull \hbox (badness 10000) in paragraph at lines 5474--5475 [112] Overfull \hbox (26.27502pt too wide) in paragraph at lines 5492--5492 [] \OT1/cmtt/m/n/10.95 subroutine potxc(tsh,xctype_,rhomt_,rhoir_,magmt_,magir_ ,taumt_,tauir_,exmt_, & Underfull \hbox (badness 10000) in paragraph at lines 5495--5496 Underfull \hbox (badness 10000) in paragraph at lines 5520--5521 [113] Underfull \hbox (badness 10000) in paragraph at lines 5539--5540 Underfull \hbox (badness 10000) in paragraph at lines 5560--5561 Underfull \hbox (badness 10000) in paragraph at lines 5579--5580 [114] Underfull \hbox (badness 10000) in paragraph at lines 5599--5600 Underfull \hbox (badness 10000) in paragraph at lines 5619--5620 [115] Underfull \hbox (badness 10000) in paragraph at lines 5639--5640 Underfull \hbox (badness 10000) in paragraph at lines 5659--5660 Underfull \hbox (badness 10000) in paragraph at lines 5679--5680 [116] Underfull \hbox (badness 10000) in paragraph at lines 5697--5698 [117] Underfull \hbox (badness 10000) in paragraph at lines 5731--5732 Underfull \hbox (badness 10000) in paragraph at lines 5766--5767 [118] Underfull \hbox (badness 10000) in paragraph at lines 5801--5802 Overfull \hbox (0.44627pt too wide) in paragraph at lines 5804--5806 []\OT1/cmr/m/n/10.95 Calculates the deriva-tive of the to-tal en-ergy w.r.t. th e second-variational co-ef-fi-cients \OT1/cmtt/m/n/10.95 evecsv\OT1/cmr/m/n/10. 95 . Underfull \hbox (badness 10000) in paragraph at lines 5823--5824 [119] Underfull \hbox (badness 10000) in paragraph at lines 5844--5845 Underfull \hbox (badness 10000) in paragraph at lines 5865--5866 [120] Underfull \hbox (badness 10000) in paragraph at lines 5886--5887 Underfull \hbox (badness 10000) in paragraph at lines 5907--5908 [121] Underfull \hbox (badness 10000) in paragraph at lines 5928--5929 Underfull \hbox (badness 10000) in paragraph at lines 5948--5949 [122] Underfull \hbox (badness 10000) in paragraph at lines 5967--5968 Underfull \hbox (badness 10000) in paragraph at lines 5988--5989 Underfull \hbox (badness 10000) in paragraph at lines 6010--6011 [123] Underfull \hbox (badness 10000) in paragraph at lines 6030--6031 Underfull \hbox (badness 10000) in paragraph at lines 6051--6052 [124] Underfull \hbox (badness 10000) in paragraph at lines 6072--6073 Underfull \hbox (badness 10000) in paragraph at lines 6093--6094 [125] Underfull \hbox (badness 10000) in paragraph at lines 6120--6121 Overfull \hbox (5.17302pt too wide) in paragraph at lines 6123--6125 []\OT1/cmr/m/n/10.95 Writes the deriva-tive of to-tal en-ergy with re-spect to oc-cu-pa-tion num-bers to file \OT1/cmtt/m/n/10.95 RDM[]DEDN.OUT\OT1/cmr/m/n/10 .95 . Underfull \hbox (badness 10000) in paragraph at lines 6141--6142 Underfull \hbox (badness 10000) in paragraph at lines 6159--6160 [126] Underfull \hbox (badness 10000) in paragraph at lines 6192--6193 [127] Underfull \hbox (badness 10000) in paragraph at lines 6212--6213 Underfull \hbox (badness 10000) in paragraph at lines 6234--6235 [128] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6266--6266 [] \OT1/cmtt/m/n/10.95 rfir1 : first real interstitial function in real-spa ce (in,real(ngtot))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6266--6266 [] \OT1/cmtt/m/n/10.95 rfmt2 : second function in real spherical harmonics for all muffin-tins[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6266--6266 [] \OT1/cmtt/m/n/10.95 rfir2 : second real interstitial function in real-sp ace (in,real(ngtot))[] Underfull \hbox (badness 10000) in paragraph at lines 6267--6268 Underfull \hbox (badness 10000) in paragraph at lines 6296--6297 [129] Underfull \hbox (badness 10000) in paragraph at lines 6319--6320 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6343--6343 [] \OT1/cmtt/m/n/10.95 nri : number of radial mesh points on the inner pa rt of the muffin-tin[] Underfull \hbox (badness 10000) in paragraph at lines 6344--6345 [130] Underfull \hbox (badness 10000) in paragraph at lines 6368--6369 Underfull \hbox (badness 10000) in paragraph at lines 6390--6391 [131] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6420--6420 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 6420--6420 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 6421--6422 [132] Underfull \hbox (badness 10000) in paragraph at lines 6452--6453 Underfull \hbox (badness 10000) in paragraph at lines 6471--6472 Underfull \hbox (badness 10000) in paragraph at lines 6494--6495 [133] Underfull \hbox (badness 10000) in paragraph at lines 6517--6518 Underfull \hbox (badness 10000) in paragraph at lines 6552--6553 [134] Underfull \hbox (badness 10000) in paragraph at lines 6604--6605 [135] Underfull \hbox (badness 10000) in paragraph at lines 6631--6632 [136] Overfull \hbox (14.77765pt too wide) in paragraph at lines 6678--6678 [] \OT1/cmtt/m/n/10.95 zflm1 : coefficients of the complex spherical harmon ic expansion for each[] Underfull \hbox (badness 10000) in paragraph at lines 6679--6680 Underfull \hbox (badness 10000) in paragraph at lines 6713--6714 [137] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6752--6752 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (in,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 6753--6754 [138] Underfull \hbox (badness 10000) in paragraph at lines 6782--6783 Underfull \hbox (badness 10000) in paragraph at lines 6804--6805 [139] Underfull \hbox (badness 10000) in paragraph at lines 6834--6835 [140] Underfull \hbox (badness 10000) in paragraph at lines 6866--6867 [141] Underfull \hbox (badness 10000) in paragraph at lines 6894--6895 Underfull \hbox (badness 10000) in paragraph at lines 6929--6930 [142] Underfull \hbox (badness 10000) in paragraph at lines 6948--6949 Underfull \hbox (badness 10000) in paragraph at lines 6968--6969 [143] Underfull \hbox (badness 10000) in paragraph at lines 6995--6996 Underfull \hbox (badness 10000) in paragraph at lines 7018--7019 [144] Underfull \hbox (badness 10000) in paragraph at lines 7044--7045 Underfull \hbox (badness 10000) in paragraph at lines 7072--7073 [145] Underfull \hbox (badness 10000) in paragraph at lines 7100--7101 Underfull \hbox (badness 10000) in paragraph at lines 7122--7123 [146] Underfull \hbox (badness 10000) in paragraph at lines 7150--7151 Underfull \hbox (badness 10000) in paragraph at lines 7173--7174 [147] Underfull \hbox (badness 10000) in paragraph at lines 7197--7198 Underfull \hbox (badness 10000) in paragraph at lines 7218--7219 [148] Underfull \hbox (badness 10000) in paragraph at lines 7238--7239 Underfull \hbox (badness 10000) in paragraph at lines 7267--7268 [149] Underfull \hbox (badness 10000) in paragraph at lines 7290--7291 [150] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7328--7328 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (in ,integer(nspecies))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7328--7328 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (in ,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7329--7330 Underfull \hbox (badness 10000) in paragraph at lines 7358--7359 [151] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7377--7377 [] \OT1/cmtt/m/n/10.95 subroutine symrvf(tspin,tnc,nr,nri,np,ngdg,ngt,ngv,igf,l d1,rvfmt,ld2,rvfir) Overfull \hbox (3.28027pt too wide) in paragraph at lines 7393--7393 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species (in ,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7393--7393 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (i n,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7393--7393 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (i n,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7394--7395 [152] Underfull \hbox (badness 10000) in paragraph at lines 7431--7432 Overfull \hbox (14.77765pt too wide) in paragraph at lines 7450--7450 [] \OT1/cmtt/m/n/10.95 vca : vectors in Cartesian coordinates for all atoms (in,real(3,natmtot)) Underfull \hbox (badness 10000) in paragraph at lines 7451--7452 [153] Underfull \hbox (badness 10000) in paragraph at lines 7470--7471 Underfull \hbox (badness 10000) in paragraph at lines 7493--7494 [154] Underfull \hbox (badness 10000) in paragraph at lines 7535--7536 [155] Underfull \hbox (badness 10000) in paragraph at lines 7587--7588 [156] Underfull \hbox (badness 10000) in paragraph at lines 7607--7608 Underfull \hbox (badness 10000) in paragraph at lines 7630--7631 Underfull \hbox (badness 10000) in paragraph at lines 7649--7650 [157] Overfull \hbox (20.52634pt too wide) in paragraph at lines 7682--7682 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 7683--7684 [158] Underfull \hbox (badness 10000) in paragraph at lines 7719--7720 Underfull \hbox (badness 10000) in paragraph at lines 7749--7750 [159] Underfull \hbox (badness 10000) in paragraph at lines 7771--7772 Underfull \hbox (badness 10000) in paragraph at lines 7797--7798 [160] Underfull \hbox (badness 10000) in paragraph at lines 7816--7817 Underfull \hbox (badness 10000) in paragraph at lines 7834--7835 [161] Underfull \hbox (badness 10000) in paragraph at lines 7856--7857 Underfull \hbox (badness 10000) in paragraph at lines 7876--7877 [162] Underfull \hbox (badness 10000) in paragraph at lines 7899--7900 Underfull \hbox (badness 10000) in paragraph at lines 7919--7920 Underfull \hbox (badness 10000) in paragraph at lines 7938--7939 [163] Overfull \hbox (16.14984pt too wide) in paragraph at lines 7941--7943 []\OT1/cmr/m/n/10.95 Writes the lin-eari-sa-tion en-er-gies for all APW and loc al-orbital func-tions to the file \OT1/cmtt/m/n/10.95 LINENGY.OUT\OT1/cmr/m/n/1 0.95 . Underfull \hbox (badness 10000) in paragraph at lines 7958--7959 Underfull \hbox (badness 10000) in paragraph at lines 7978--7979 [164] Underfull \hbox (badness 10000) in paragraph at lines 7998--7999 Underfull \hbox (badness 10000) in paragraph at lines 8021--8022 [165] Underfull \hbox (badness 10000) in paragraph at lines 8049--8050 Underfull \hbox (badness 10000) in paragraph at lines 8073--8074 [166] Underfull \hbox (badness 10000) in paragraph at lines 8094--8095 Underfull \hbox (badness 10000) in paragraph at lines 8122--8123 [167] Underfull \hbox (badness 10000) in paragraph at lines 8148--8149 Underfull \hbox (badness 10000) in paragraph at lines 8169--8170 [168] Underfull \hbox (badness 10000) in paragraph at lines 8189--8190 Underfull \hbox (badness 10000) in paragraph at lines 8211--8212 [169] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8231--8231 [] \OT1/cmtt/m/n/10.95 subroutine xc_pbe(n,kappa,mu,beta,rhoup,rhodn,grho,gup,g dn,g2up,g2dn,g3rho, & Underfull \hbox (badness 10000) in paragraph at lines 8252--8253 [170] Underfull \hbox (badness 10000) in paragraph at lines 8284--8285 Underfull \hbox (badness 10000) in paragraph at lines 8310--8311 [171] Underfull \hbox (badness 10000) in paragraph at lines 8339--8340 Underfull \hbox (badness 10000) in paragraph at lines 8363--8364 [172] Underfull \hbox (badness 10000) in paragraph at lines 8386--8387 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8414--8414 [] \OT1/cmtt/m/n/10.95 dy : rotation matrix for complex spherical harmoni cs (out,real(ld,*))[] Underfull \hbox (badness 10000) in paragraph at lines 8415--8416 [173] Underfull \hbox (badness 10000) in paragraph at lines 8444--8445 Underfull \hbox (badness 10000) in paragraph at lines 8465--8466 [174] Underfull \hbox (badness 10000) in paragraph at lines 8486--8487 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8510--8510 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8511--8512 [175] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8536--8536 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8537--8538 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8568--8568 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8569--8570 [176] Underfull \hbox (badness 10000) in paragraph at lines 8596--8597 [177] Underfull \hbox (badness 10000) in paragraph at lines 8625--8626 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8657--8657 [] \OT1/cmtt/m/n/10.95 wpr : weights for partial integration on radial m esh (in,real(4,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 8658--8659 [178] Overfull \hbox (32.02371pt too wide) in paragraph at lines 8681--8681 [] \OT1/cmtt/m/n/10.95 subroutine zpotcoul(nr,nri,np,ld1,rl,ngdg,igf,ngp,gpc,gc lgp,ld2,jlgprmt,ylmgp, & Overfull \hbox (14.77765pt too wide) in paragraph at lines 8705--8705 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species ( in,integer(nspecies)) Overfull \hbox (14.77765pt too wide) in paragraph at lines 8705--8705 [] \OT1/cmtt/m/n/10.95 jlgprmt : spherical Bessel functions for evergy G+p- vector and muffin-tin[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8705--8705 [] \OT1/cmtt/m/n/10.95 ylmgp : spherical harmonics of the G+p-vectors (in ,complex(lmmaxo,ngp))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 8705--8705 [] \OT1/cmtt/m/n/10.95 sfacgp : structure factors of the G+p-vectors (in,c omplex(ld2,natmtot))[] Underfull \hbox (badness 10000) in paragraph at lines 8706--8707 [179] [180] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8783--8783 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (out,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 8784--8785 [181] (./elk.aux) kpathsea: Running mktexpk --mfmode / --bdpi 600 --mag 1+0/600 --dpi 600 tcrm1095 mkdir: cannot create directory '././nonexistent': Permission denied mktexpk: Running mf-nowin -progname=mf \mode:=ljfour; mag:=1+0/600; nonstopmode; input tcrm1095 This is METAFONT, Version 2.71828182 (TeX Live 2023/Debian) (preloaded base=mf) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/tcrm1095.mf (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/exbase.mf) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/tcrm.mf (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txsymb.mf Ok (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/exaccess.mf Ok) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txpseudo.mf Ok) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txaccent.mf Ok [0] [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [27] [29]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txgen.mf Ok [100] [109] [98] [99] [108]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txsymbol.mf Ok [13] [18] [21] [22] [23] [24] [25] [26] [28] [31] [32] [36] [39] [44] [45] [46] [42] [47] [60] [61] [62] [77] [79] [87] [110] [91] [93] [94] [95] [96] [126] [127] [128] [129] [130] [131] [132] [133] [134] [135] [136] [137] [138] [139] [140] [141] [142] [143] [144] [145] [146] [147] [148] [149] [150] [151] [152] [153] [154] [155] [156] [157] [158] [159] [160] [161] [162] [163] [164] [165] [166] [167] [168] [169] [171] [172] [173] [174] [175] [177] [176] [180] [181] [182] [183] [184] [187] [191] [214] [246]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txromod.mf Ok [48] [49] [50] [51] [52] [53] [54] [55] [56] [57]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txrsuper.mf Ok [185] [178] [179] [170] [186]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txrfract.mf Ok [188] [189] [190]) ) ) ) (some charht values had to be adjusted by as much as 0.06952pt) Font metrics written on tcrm1095.tfm. Output written on tcrm1095.600gf (128 characters, 25592 bytes). Transcript written on tcrm1095.log. mktexpk: /tmp/texfonts/pk/ljfour/jknappen/ec/tcrm1095.600pk: successfully generated. LaTeX Warning: Label(s) may have changed. Rerun to get cross-references right. Package rerunfilecheck Warning: File `elk.out' has changed. (rerunfilecheck) Rerun to get outlines right (rerunfilecheck) or use package `bookmark'. ) (see the transcript file for additional information) Output written on elk.pdf (181 pages, 666699 bytes). Transcript written on elk.log. This is pdfTeX, Version 3.141592653-2.6-1.40.25 (TeX Live 2023/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./elk.tex LaTeX2e <2023-11-01> patch level 1 L3 programming layer <2024-01-22> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2023/05/17 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/auxhook/auxhook.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) (./elk.aux) (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (./elk.out) (./elk.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map} <./elk_silhouette.pdf>] (./elk.toc [2] [3] [4] [5] [6] [7] [8] [9]) [10] [11] [12] [13] [14] Overfull \hbox (14.77765pt too wide) in paragraph at lines 325--325 [] \OT1/cmtt/m/n/10.95 1 0 1 2.00000 T : nsp, ls p, ksp, occsp, spcore[] [15] [16] [17] [18] [19] [20] [21] Overfull \hbox (0.95221pt too wide) in paragraph at lines 679--683 []\OT1/cmr/m/n/10.95 If \OT1/cmtt/m/n/10.95 fracinr \OT1/cmr/m/n/10.95 is neg-a -tive then the frac-tion is de-ter-mined from $\OML/cmm/m/it/10.95 f \OT1/cmr/m /n/10.95 = []$ [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32] [33] [34] [35] [36] [37] [38] Overfull \hbox (13.04211pt too wide) in paragraph at lines 1477--1480 []\OT1/cmr/m/n/10.95 When this vari-able is \OT1/cmtt/m/n/10.95 .true.\OT1/cmr/ m/n/10.95 , the screened in-ter-ac-tion used in a $\OML/cmm/m/it/10.95 GW$ \OT1 /cmr/m/n/10.95 cal-cu-la-tion $\OML/cmm/m/it/10.95 W\OT1/cmr/m/n/10.95 (\OT1/cm r/bx/n/10.95 G\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 G[]\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 q\OML/cmm/m/it/10.95 ; !\OT1/cmr/m/n/10.95 )$ [39] [40] [41] [42] Underfull \hbox (badness 10000) in paragraph at lines 1677--1678 Underfull \hbox (badness 10000) in paragraph at lines 1707--1708 [43] Overfull \hbox (26.27502pt too wide) in paragraph at lines 1731--1731 [] \OT1/cmtt/m/n/10.95 subroutine atom(sol,ptnucl,zn,nst,n,l,k,occ,xctype,xcgra d,nr,r,eval,rho,vr,rwf) Overfull \hbox (26.27502pt too wide) in paragraph at lines 1749--1749 [] \OT1/cmtt/m/n/10.95 eval : eigenvalue without rest-mass energy for eac h state (out,real(nst))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1749--1749 [] \OT1/cmtt/m/n/10.95 rwf : major and minor components of radial wavefu nctions for each state[] Underfull \hbox (badness 10000) in paragraph at lines 1750--1751 [44] Underfull \hbox (badness 10000) in paragraph at lines 1774--1775 Underfull \hbox (badness 10000) in paragraph at lines 1802--1803 Underfull \hbox (badness 10000) in paragraph at lines 1824--1825 [45] Underfull \hbox (badness 10000) in paragraph at lines 1847--1848 Underfull \hbox (badness 10000) in paragraph at lines 1872--1873 [46] Underfull \hbox (badness 10000) in paragraph at lines 1909--1910 [47] Underfull \hbox (badness 10000) in paragraph at lines 1945--1946 [48] Underfull \hbox (badness 10000) in paragraph at lines 1969--1970 Underfull \hbox (badness 10000) in paragraph at lines 1990--1991 Underfull \hbox (badness 10000) in paragraph at lines 2013--2014 [49] Underfull \hbox (badness 10000) in paragraph at lines 2037--2038 [50] Underfull \hbox (badness 10000) in paragraph at lines 2066--2067 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2095--2095 [] \OT1/cmtt/m/n/10.95 tocc : .true. if just the occupied orbitals should contribute to the DOS[] Underfull \hbox (badness 10000) in paragraph at lines 2096--2097 [51] Underfull \hbox (badness 10000) in paragraph at lines 2129--2130 [52] Underfull \hbox (badness 10000) in paragraph at lines 2166--2167 Underfull \hbox (badness 10000) in paragraph at lines 2189--2190 [53] [54] Underfull \hbox (badness 10000) in paragraph at lines 2253--2254 Underfull \hbox (badness 10000) in paragraph at lines 2273--2274 Underfull \hbox (badness 10000) in paragraph at lines 2294--2295 [55] Underfull \hbox (badness 10000) in paragraph at lines 2319--2320 [56] Underfull \hbox (badness 10000) in paragraph at lines 2348--2349 Underfull \hbox (badness 10000) in paragraph at lines 2376--2377 [57] Underfull \hbox (badness 10000) in paragraph at lines 2401--2402 Underfull \hbox (badness 10000) in paragraph at lines 2424--2425 [58] Overfull \hbox (32.02371pt too wide) in paragraph at lines 2455--2455 [] \OT1/cmtt/m/n/10.95 demax : maximum allowed change from the input energy ; enforced only if e < 0[] Underfull \hbox (badness 10000) in paragraph at lines 2456--2457 [59] Underfull \hbox (badness 10000) in paragraph at lines 2488--2489 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2517--2517 [] \OT1/cmtt/m/n/10.95 nspnfv : number of first-variational spin components : 1 normal case, 2 for[] Underfull \hbox (badness 10000) in paragraph at lines 2518--2519 [60] Underfull \hbox (badness 10000) in paragraph at lines 2540--2541 Underfull \hbox (badness 10000) in paragraph at lines 2562--2563 [61] Overfull \hbox (9.02896pt too wide) in paragraph at lines 2599--2599 [] \OT1/cmtt/m/n/10.95 lspl : spatial rotation element in lattice point gro up for each symmetry[] Underfull \hbox (badness 10000) in paragraph at lines 2600--2601 Underfull \hbox (badness 10000) in paragraph at lines 2628--2629 [62] Underfull \hbox (badness 10000) in paragraph at lines 2661--2662 [63] Underfull \hbox (badness 10000) in paragraph at lines 2690--2691 [64] Underfull \hbox (badness 10000) in paragraph at lines 2767--2768 Underfull \hbox (badness 10000) in paragraph at lines 2789--2790 [65] Underfull \hbox (badness 10000) in paragraph at lines 2813--2814 [66] Underfull \hbox (badness 10000) in paragraph at lines 2838--2839 Underfull \hbox (badness 10000) in paragraph at lines 2859--2860 Underfull \hbox (badness 10000) in paragraph at lines 2884--2885 [67] Underfull \hbox (badness 10000) in paragraph at lines 2906--2907 Underfull \hbox (badness 10000) in paragraph at lines 2926--2927 [68] Underfull \hbox (badness 10000) in paragraph at lines 2956--2957 Underfull \hbox (badness 10000) in paragraph at lines 2983--2984 [69] Underfull \hbox (badness 10000) in paragraph at lines 3014--3015 [70] Underfull \hbox (badness 10000) in paragraph at lines 3048--3049 Underfull \hbox (badness 10000) in paragraph at lines 3071--3072 [71] Underfull \hbox (badness 10000) in paragraph at lines 3093--3094 Underfull \hbox (badness 10000) in paragraph at lines 3113--3114 [72] Overfull \hbox (32.02371pt too wide) in paragraph at lines 3149--3149 [] \OT1/cmtt/m/n/10.95 pure subroutine gengkvec(ngv,ivg,vgc,vkl,vkc,gkmax,ngkma x,ngk,igkig,vgkl,vgkc, & Underfull \hbox (badness 10000) in paragraph at lines 3162--3163 [73] Underfull \hbox (badness 10000) in paragraph at lines 3183--3184 Underfull \hbox (badness 10000) in paragraph at lines 3207--3208 [74] Underfull \hbox (badness 10000) in paragraph at lines 3232--3233 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3257--3257 [] \OT1/cmtt/m/n/10.95 first-variational basis; second-variational otherwise (in,logical)[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3257--3257 [] \OT1/cmtt/m/n/10.95 tvclvr : .true. if the non-local Coulomb potential f rom the core states is[] Underfull \hbox (badness 10000) in paragraph at lines 3258--3259 [75] Underfull \hbox (badness 10000) in paragraph at lines 3277--3278 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3310--3310 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,inte ger(ngkmax,nspnfv))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3310--3310 [] \OT1/cmtt/m/n/10.95 vgpc : G+p-vectors in Cartesian coordinates (in,rea l(3,ngkmax,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3311--3312 [76] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3337--3337 [] \OT1/cmtt/m/n/10.95 subroutine genppts(tfbz,nsym,sym,ngridp,npptnr,epslat,bv ec,boxl,nppt,ipvip, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 3363--3363 [] \OT1/cmtt/m/n/10.95 tfbz : .true. if vpl and vpc should be mapped to the first Brillouin zone Overfull \hbox (26.27502pt too wide) in paragraph at lines 3363--3363 [] \OT1/cmtt/m/n/10.95 nsym : number of point group symmetries used for reduction, set to 1 for[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3363--3363 [] \OT1/cmtt/m/n/10.95 npptnr : number of non-reduced p-points: ngridp(1)* ngridp(2)*ngridp(3)[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3363--3363 [] \OT1/cmtt/m/n/10.95 boxl : corners of box containing p-points in latt ice coordinates, the[] Underfull \hbox (badness 10000) in paragraph at lines 3364--3365 [77] Underfull \hbox (badness 10000) in paragraph at lines 3402--3403 [78] Underfull \hbox (badness 10000) in paragraph at lines 3433--3434 Underfull \hbox (badness 10000) in paragraph at lines 3455--3456 [79] Underfull \hbox (badness 10000) in paragraph at lines 3477--3478 Underfull \hbox (badness 10000) in paragraph at lines 3497--3498 [80] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3529--3529 [] \OT1/cmtt/m/n/10.95 jlgqr : spherical Bessel functions evaluated on the coarse radial mesh for[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3529--3529 [] \OT1/cmtt/m/n/10.95 ylmgq : spherical harmonics of the G+q-vectors (in, complex(lmmaxo,ngrf))[] Underfull \hbox (badness 10000) in paragraph at lines 3530--3531 [81] Underfull \hbox (badness 10000) in paragraph at lines 3580--3581 Overfull \hbox (2.63586pt too wide) in paragraph at lines 3583--3585 []\OT1/cmr/m/n/10.95 Calculates the Coulomb ma-trix el-e-ments of the type $\OM L/cmm/m/it/10.95 V\OT1/cmr/m/n/10.95 (1\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/ 10.95 1)$. See the rou-tine \OT1/cmtt/m/n/10.95 genvcl1223 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3600--3600 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3601--3602 [82] Underfull \hbox (badness 10000) in paragraph at lines 3628--3629 Underfull \hbox (badness 10000) in paragraph at lines 3649--3650 [83] Underfull \hbox (badness 10000) in paragraph at lines 3672--3673 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3691--3691 [] \OT1/cmtt/m/n/10.95 subroutine genwfsv(tsh,tgp,nst,idx,ngdg,igf,ngp,igpig,ap walm,evecfv,evecsv, & Overfull \hbox (20.52634pt too wide) in paragraph at lines 3712--3712 [] \OT1/cmtt/m/n/10.95 tsh : .true. if wfmt should be in spherical harmo nic basis (in,logical) Overfull \hbox (3.28027pt too wide) in paragraph at lines 3712--3712 [] \OT1/cmtt/m/n/10.95 tgp : .true. if wfir should be in G+p-space, othe rwise in real-space[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3712--3712 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3712--3712 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3712--3712 [] \OT1/cmtt/m/n/10.95 wfmt : muffin-tin part of the wavefunctions for ev ery state in spherical[] Underfull \hbox (badness 10000) in paragraph at lines 3713--3714 [84] Underfull \hbox (badness 10000) in paragraph at lines 3736--3737 Underfull \hbox (badness 10000) in paragraph at lines 3757--3758 [85] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3786--3786 [] \OT1/cmtt/m/n/10.95 vgpl : G+p-vectors in lattice coordinates (out,rea l(3,ngkmax,nspnfv))[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3786--3786 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (out,complex (nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3787--3788 [86] Underfull \hbox (badness 10000) in paragraph at lines 3811--3812 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3831--3831 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3832--3833 Underfull \hbox (badness 10000) in paragraph at lines 3851--3852 [87] Underfull \hbox (badness 10000) in paragraph at lines 3869--3870 Underfull \hbox (badness 10000) in paragraph at lines 3887--3888 [88] Underfull \hbox (badness 10000) in paragraph at lines 3914--3915 Underfull \hbox (badness 10000) in paragraph at lines 3940--3941 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3962--3962 [] \OT1/cmtt/m/n/10.95 subroutine ggair_sp_2b(g2up,g2dn,gvup,gvdn,vxup,vxdn,vcu p,vcdn,dxdgu2,dxdgd2, & [89] Underfull \hbox (badness 10000) in paragraph at lines 3964--3965 Underfull \hbox (badness 10000) in paragraph at lines 3983--3984 Underfull \hbox (badness 10000) in paragraph at lines 4001--4002 [90] Underfull \hbox (badness 10000) in paragraph at lines 4019--4020 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4035--4035 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_1(is,np,rhoup,rhodn,grho,gup,gdn,g2u p,g2dn,g3rho,g3up,g3dn) Underfull \hbox (badness 10000) in paragraph at lines 4049--4050 [91] Overfull \hbox (14.77765pt too wide) in paragraph at lines 4074--4074 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2a(is,np,rhoup,rhodn,g2up,g2dn,gvup, gvdn,gup2,gdn2,gupdn) Underfull \hbox (badness 10000) in paragraph at lines 4076--4077 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4128--4128 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2b(is,np,g2up,g2dn,gvup,gvdn,vxup,vx dn,vcup,vcdn,dxdgu2, & Underfull \hbox (badness 10000) in paragraph at lines 4130--4131 [92] Underfull \hbox (badness 10000) in paragraph at lines 4155--4156 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4185--4185 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the m uffin-tin (in,integer)[] [93] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4185--4185 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial m esh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4186--4187 Overfull \hbox (3.28027pt too wide) in paragraph at lines 4217--4217 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4218--4219 [94] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4248--4248 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4249--4250 [95] Underfull \hbox (badness 10000) in paragraph at lines 4293--4294 [96] Underfull \hbox (badness 10000) in paragraph at lines 4319--4320 Underfull \hbox (badness 10000) in paragraph at lines 4348--4349 [97] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4375--4375 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 4376--4377 [98] Underfull \hbox (badness 10000) in paragraph at lines 4399--4400 Underfull \hbox (badness 10000) in paragraph at lines 4423--4424 [99] Underfull \hbox (badness 10000) in paragraph at lines 4454--4455 Underfull \hbox (badness 10000) in paragraph at lines 4474--4475 [100] Underfull \hbox (badness 10000) in paragraph at lines 4501--4502 Underfull \hbox (badness 10000) in paragraph at lines 4525--4526 [101] Underfull \hbox (badness 10000) in paragraph at lines 4548--4549 Underfull \hbox (badness 10000) in paragraph at lines 4571--4572 [102] Underfull \hbox (badness 10000) in paragraph at lines 4602--4603 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4636--4636 [] \OT1/cmtt/m/n/10.95 subroutine xcifc_libxc(xctype,n,tempa,rho,rhoup,rhodn,g2 rho,g2up,g2dn,grho2, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 4636--4636 [] \OT1/cmtt/m/n/10.95 gup2,gdn2,gupdn,tau,tauup,taudn,ex,ec,vx,vc,vxup,vxdn,v cup,vcdn,dxdgr2,dxdgu2,&[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4636--4636 [] \OT1/cmtt/m/n/10.95 dxdgd2,dxdgud,dcdgr2,dcdgu2,dcdgd2,dcdgud,dxdg2r,dxdg2u ,dxdg2d,dcdg2r,dcdg2u, &[] [103] Underfull \hbox (badness 10000) in paragraph at lines 4682--4683 Overfull \hbox (6.55638pt too wide) in paragraph at lines 4685--4689 \OT1/cmtt/m/n/10.95 http://www.tddft.org/programs/octopus/wiki/index.php/Libxc\ OT1/cmr/m/n/10.95 . The sec-ond and third [104] Underfull \hbox (badness 10000) in paragraph at lines 4710--4711 Underfull \hbox (badness 10000) in paragraph at lines 4734--4735 [105] Underfull \hbox (badness 10000) in paragraph at lines 4758--4759 [106] Underfull \hbox (badness 10000) in paragraph at lines 4795--4796 [107] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4843--4843 [] \OT1/cmtt/m/n/10.95 nu : current output vector as well as the next input vector of the[] Underfull \hbox (badness 10000) in paragraph at lines 4844--4845 Underfull \hbox (badness 10000) in paragraph at lines 4874--4875 [108] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4900--4900 [] \OT1/cmtt/m/n/10.95 subroutine xcifc(xctype,n,tempa,rho,rhoup,rhodn,grho,gup ,gdn,g2rho,g2up,g2dn, & Overfull \hbox (26.27502pt too wide) in paragraph at lines 4900--4900 [] \OT1/cmtt/m/n/10.95 g3rho,g3up,g3dn,grho2,gup2,gdn2,gupdn,tau,tauup,taudn,e x,ec,vx,vc,vxup,vxdn, &[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4900--4900 [] \OT1/cmtt/m/n/10.95 vcup,vcdn,dxdgr2,dxdgu2,dxdgd2,dxdgud,dcdgr2,dcdgu2,dcd gd2,dcdgud,dxdg2r, &[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4900--4900 [] \OT1/cmtt/m/n/10.95 dxdg2u,dxdg2d,dcdg2r,dcdg2u,dcdg2d,wx,wxup,wxdn,wc,wcup ,wcdn,dtdr,dtdru,dtdrd,&[] [109] Underfull \hbox (badness 10000) in paragraph at lines 4960--4961 [110] Underfull \hbox (badness 10000) in paragraph at lines 4994--4995 Underfull \hbox (badness 10000) in paragraph at lines 5018--5019 [111] Underfull \hbox (badness 10000) in paragraph at lines 5039--5040 Overfull \hbox (32.02371pt too wide) in paragraph at lines 5051--5051 [] \OT1/cmtt/m/n/10.95 Contact hyperfine field evaluated at the nuclear rad ius rather than averaged[] Underfull \hbox (badness 10000) in paragraph at lines 5065--5066 [112] Underfull \hbox (badness 10000) in paragraph at lines 5086--5087 Underfull \hbox (badness 10000) in paragraph at lines 5109--5110 [113] Underfull \hbox (badness 10000) in paragraph at lines 5139--5140 Underfull \hbox (badness 10000) in paragraph at lines 5164--5165 [114] Underfull \hbox (badness 10000) in paragraph at lines 5187--5188 Underfull \hbox (badness 10000) in paragraph at lines 5219--5220 [115] Underfull \hbox (badness 10000) in paragraph at lines 5245--5246 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5270--5270 [] \OT1/cmtt/m/n/10.95 tproj : .true. if nf=3 and the vector function shoul d be projected onto the Underfull \hbox (badness 10000) in paragraph at lines 5271--5272 [116] Underfull \hbox (badness 10000) in paragraph at lines 5295--5296 Overfull \hbox (3.28027pt too wide) in paragraph at lines 5322--5322 [] \OT1/cmtt/m/n/10.95 vpl : connecting point vectors in lattice coordinat es (out,real(3,np))[] Underfull \hbox (badness 10000) in paragraph at lines 5323--5324 [117] Underfull \hbox (badness 10000) in paragraph at lines 5351--5352 Underfull \hbox (badness 10000) in paragraph at lines 5381--5382 [118] Underfull \hbox (badness 10000) in paragraph at lines 5403--5404 Underfull \hbox (badness 10000) in paragraph at lines 5426--5427 Overfull \hbox (0.21347pt too wide) in paragraph at lines 5429--5432 []\OT1/cmr/m/n/10.95 Computes the Kohn-Sham ef-fec-tive po-ten-tial by adding t o-gether the Coulomb and exchange- [119] Underfull \hbox (badness 10000) in paragraph at lines 5450--5451 Underfull \hbox (badness 10000) in paragraph at lines 5474--5475 [120] Overfull \hbox (26.27502pt too wide) in paragraph at lines 5492--5492 [] \OT1/cmtt/m/n/10.95 subroutine potxc(tsh,xctype_,rhomt_,rhoir_,magmt_,magir_ ,taumt_,tauir_,exmt_, & Underfull \hbox (badness 10000) in paragraph at lines 5495--5496 Underfull \hbox (badness 10000) in paragraph at lines 5520--5521 [121] Underfull \hbox (badness 10000) in paragraph at lines 5539--5540 Underfull \hbox (badness 10000) in paragraph at lines 5560--5561 Underfull \hbox (badness 10000) in paragraph at lines 5579--5580 [122] Underfull \hbox (badness 10000) in paragraph at lines 5599--5600 Underfull \hbox (badness 10000) in paragraph at lines 5619--5620 [123] Underfull \hbox (badness 10000) in paragraph at lines 5639--5640 Underfull \hbox (badness 10000) in paragraph at lines 5659--5660 Underfull \hbox (badness 10000) in paragraph at lines 5679--5680 [124] Underfull \hbox (badness 10000) in paragraph at lines 5697--5698 [125] Underfull \hbox (badness 10000) in paragraph at lines 5731--5732 Underfull \hbox (badness 10000) in paragraph at lines 5766--5767 [126] Underfull \hbox (badness 10000) in paragraph at lines 5801--5802 Overfull \hbox (0.44627pt too wide) in paragraph at lines 5804--5806 []\OT1/cmr/m/n/10.95 Calculates the deriva-tive of the to-tal en-ergy w.r.t. th e second-variational co-ef-fi-cients \OT1/cmtt/m/n/10.95 evecsv\OT1/cmr/m/n/10. 95 . Underfull \hbox (badness 10000) in paragraph at lines 5823--5824 [127] Underfull \hbox (badness 10000) in paragraph at lines 5844--5845 Underfull \hbox (badness 10000) in paragraph at lines 5865--5866 [128] Underfull \hbox (badness 10000) in paragraph at lines 5886--5887 Underfull \hbox (badness 10000) in paragraph at lines 5907--5908 [129] Underfull \hbox (badness 10000) in paragraph at lines 5928--5929 Underfull \hbox (badness 10000) in paragraph at lines 5948--5949 [130] Underfull \hbox (badness 10000) in paragraph at lines 5967--5968 Underfull \hbox (badness 10000) in paragraph at lines 5988--5989 Underfull \hbox (badness 10000) in paragraph at lines 6010--6011 [131] Underfull \hbox (badness 10000) in paragraph at lines 6030--6031 Underfull \hbox (badness 10000) in paragraph at lines 6051--6052 [132] Underfull \hbox (badness 10000) in paragraph at lines 6072--6073 Underfull \hbox (badness 10000) in paragraph at lines 6093--6094 [133] Underfull \hbox (badness 10000) in paragraph at lines 6120--6121 Overfull \hbox (5.17302pt too wide) in paragraph at lines 6123--6125 []\OT1/cmr/m/n/10.95 Writes the deriva-tive of to-tal en-ergy with re-spect to oc-cu-pa-tion num-bers to file \OT1/cmtt/m/n/10.95 RDM[]DEDN.OUT\OT1/cmr/m/n/10 .95 . Underfull \hbox (badness 10000) in paragraph at lines 6141--6142 Underfull \hbox (badness 10000) in paragraph at lines 6159--6160 [134] Underfull \hbox (badness 10000) in paragraph at lines 6192--6193 [135] Underfull \hbox (badness 10000) in paragraph at lines 6212--6213 Underfull \hbox (badness 10000) in paragraph at lines 6234--6235 [136] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6266--6266 [] \OT1/cmtt/m/n/10.95 rfir1 : first real interstitial function in real-spa ce (in,real(ngtot))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6266--6266 [] \OT1/cmtt/m/n/10.95 rfmt2 : second function in real spherical harmonics for all muffin-tins[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6266--6266 [] \OT1/cmtt/m/n/10.95 rfir2 : second real interstitial function in real-sp ace (in,real(ngtot))[] Underfull \hbox (badness 10000) in paragraph at lines 6267--6268 Underfull \hbox (badness 10000) in paragraph at lines 6296--6297 [137] Underfull \hbox (badness 10000) in paragraph at lines 6319--6320 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6343--6343 [] \OT1/cmtt/m/n/10.95 nri : number of radial mesh points on the inner pa rt of the muffin-tin[] Underfull \hbox (badness 10000) in paragraph at lines 6344--6345 [138] Underfull \hbox (badness 10000) in paragraph at lines 6368--6369 Underfull \hbox (badness 10000) in paragraph at lines 6390--6391 [139] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6420--6420 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 6420--6420 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 6421--6422 [140] Underfull \hbox (badness 10000) in paragraph at lines 6452--6453 Underfull \hbox (badness 10000) in paragraph at lines 6471--6472 Underfull \hbox (badness 10000) in paragraph at lines 6494--6495 [141] Underfull \hbox (badness 10000) in paragraph at lines 6517--6518 Underfull \hbox (badness 10000) in paragraph at lines 6552--6553 [142] Underfull \hbox (badness 10000) in paragraph at lines 6604--6605 [143] Underfull \hbox (badness 10000) in paragraph at lines 6631--6632 [144] Overfull \hbox (14.77765pt too wide) in paragraph at lines 6678--6678 [] \OT1/cmtt/m/n/10.95 zflm1 : coefficients of the complex spherical harmon ic expansion for each[] Underfull \hbox (badness 10000) in paragraph at lines 6679--6680 Underfull \hbox (badness 10000) in paragraph at lines 6713--6714 [145] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6752--6752 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (in,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 6753--6754 [146] Underfull \hbox (badness 10000) in paragraph at lines 6782--6783 Underfull \hbox (badness 10000) in paragraph at lines 6804--6805 [147] Underfull \hbox (badness 10000) in paragraph at lines 6834--6835 [148] Underfull \hbox (badness 10000) in paragraph at lines 6866--6867 [149] Underfull \hbox (badness 10000) in paragraph at lines 6894--6895 Underfull \hbox (badness 10000) in paragraph at lines 6929--6930 [150] Underfull \hbox (badness 10000) in paragraph at lines 6948--6949 Underfull \hbox (badness 10000) in paragraph at lines 6968--6969 [151] Underfull \hbox (badness 10000) in paragraph at lines 6995--6996 Underfull \hbox (badness 10000) in paragraph at lines 7018--7019 [152] Underfull \hbox (badness 10000) in paragraph at lines 7044--7045 Underfull \hbox (badness 10000) in paragraph at lines 7072--7073 [153] Underfull \hbox (badness 10000) in paragraph at lines 7100--7101 Underfull \hbox (badness 10000) in paragraph at lines 7122--7123 [154] Underfull \hbox (badness 10000) in paragraph at lines 7150--7151 Underfull \hbox (badness 10000) in paragraph at lines 7173--7174 [155] Underfull \hbox (badness 10000) in paragraph at lines 7197--7198 Underfull \hbox (badness 10000) in paragraph at lines 7218--7219 [156] Underfull \hbox (badness 10000) in paragraph at lines 7238--7239 Underfull \hbox (badness 10000) in paragraph at lines 7267--7268 [157] Underfull \hbox (badness 10000) in paragraph at lines 7290--7291 [158] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7328--7328 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (in ,integer(nspecies))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7328--7328 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (in ,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7329--7330 Underfull \hbox (badness 10000) in paragraph at lines 7358--7359 [159] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7377--7377 [] \OT1/cmtt/m/n/10.95 subroutine symrvf(tspin,tnc,nr,nri,np,ngdg,ngt,ngv,igf,l d1,rvfmt,ld2,rvfir) Overfull \hbox (3.28027pt too wide) in paragraph at lines 7393--7393 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species (in ,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7393--7393 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (i n,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7393--7393 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (i n,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7394--7395 [160] Underfull \hbox (badness 10000) in paragraph at lines 7431--7432 Overfull \hbox (14.77765pt too wide) in paragraph at lines 7450--7450 [] \OT1/cmtt/m/n/10.95 vca : vectors in Cartesian coordinates for all atoms (in,real(3,natmtot)) Underfull \hbox (badness 10000) in paragraph at lines 7451--7452 [161] Underfull \hbox (badness 10000) in paragraph at lines 7470--7471 Underfull \hbox (badness 10000) in paragraph at lines 7493--7494 [162] Underfull \hbox (badness 10000) in paragraph at lines 7535--7536 [163] Underfull \hbox (badness 10000) in paragraph at lines 7587--7588 [164] Underfull \hbox (badness 10000) in paragraph at lines 7607--7608 Underfull \hbox (badness 10000) in paragraph at lines 7630--7631 Underfull \hbox (badness 10000) in paragraph at lines 7649--7650 [165] Overfull \hbox (20.52634pt too wide) in paragraph at lines 7682--7682 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 7683--7684 [166] Underfull \hbox (badness 10000) in paragraph at lines 7719--7720 Underfull \hbox (badness 10000) in paragraph at lines 7749--7750 [167] Underfull \hbox (badness 10000) in paragraph at lines 7771--7772 Underfull \hbox (badness 10000) in paragraph at lines 7797--7798 [168] Underfull \hbox (badness 10000) in paragraph at lines 7816--7817 Underfull \hbox (badness 10000) in paragraph at lines 7834--7835 [169] Underfull \hbox (badness 10000) in paragraph at lines 7856--7857 Underfull \hbox (badness 10000) in paragraph at lines 7876--7877 [170] Underfull \hbox (badness 10000) in paragraph at lines 7899--7900 Underfull \hbox (badness 10000) in paragraph at lines 7919--7920 Underfull \hbox (badness 10000) in paragraph at lines 7938--7939 [171] Overfull \hbox (16.14984pt too wide) in paragraph at lines 7941--7943 []\OT1/cmr/m/n/10.95 Writes the lin-eari-sa-tion en-er-gies for all APW and loc al-orbital func-tions to the file \OT1/cmtt/m/n/10.95 LINENGY.OUT\OT1/cmr/m/n/1 0.95 . Underfull \hbox (badness 10000) in paragraph at lines 7958--7959 Underfull \hbox (badness 10000) in paragraph at lines 7978--7979 [172] Underfull \hbox (badness 10000) in paragraph at lines 7998--7999 Underfull \hbox (badness 10000) in paragraph at lines 8021--8022 [173] Underfull \hbox (badness 10000) in paragraph at lines 8049--8050 Underfull \hbox (badness 10000) in paragraph at lines 8073--8074 [174] Underfull \hbox (badness 10000) in paragraph at lines 8094--8095 Underfull \hbox (badness 10000) in paragraph at lines 8122--8123 [175] Underfull \hbox (badness 10000) in paragraph at lines 8148--8149 Underfull \hbox (badness 10000) in paragraph at lines 8169--8170 [176] Underfull \hbox (badness 10000) in paragraph at lines 8189--8190 Underfull \hbox (badness 10000) in paragraph at lines 8211--8212 [177] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8231--8231 [] \OT1/cmtt/m/n/10.95 subroutine xc_pbe(n,kappa,mu,beta,rhoup,rhodn,grho,gup,g dn,g2up,g2dn,g3rho, & Underfull \hbox (badness 10000) in paragraph at lines 8252--8253 [178] Underfull \hbox (badness 10000) in paragraph at lines 8284--8285 Underfull \hbox (badness 10000) in paragraph at lines 8310--8311 [179] Underfull \hbox (badness 10000) in paragraph at lines 8339--8340 Underfull \hbox (badness 10000) in paragraph at lines 8363--8364 [180] Underfull \hbox (badness 10000) in paragraph at lines 8386--8387 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8414--8414 [] \OT1/cmtt/m/n/10.95 dy : rotation matrix for complex spherical harmoni cs (out,real(ld,*))[] Underfull \hbox (badness 10000) in paragraph at lines 8415--8416 [181] Underfull \hbox (badness 10000) in paragraph at lines 8444--8445 Underfull \hbox (badness 10000) in paragraph at lines 8465--8466 [182] Underfull \hbox (badness 10000) in paragraph at lines 8486--8487 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8510--8510 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8511--8512 [183] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8536--8536 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8537--8538 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8568--8568 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8569--8570 [184] Underfull \hbox (badness 10000) in paragraph at lines 8596--8597 [185] Underfull \hbox (badness 10000) in paragraph at lines 8625--8626 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8657--8657 [] \OT1/cmtt/m/n/10.95 wpr : weights for partial integration on radial m esh (in,real(4,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 8658--8659 [186] Overfull \hbox (32.02371pt too wide) in paragraph at lines 8681--8681 [] \OT1/cmtt/m/n/10.95 subroutine zpotcoul(nr,nri,np,ld1,rl,ngdg,igf,ngp,gpc,gc lgp,ld2,jlgprmt,ylmgp, & Overfull \hbox (14.77765pt too wide) in paragraph at lines 8705--8705 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species ( in,integer(nspecies)) Overfull \hbox (14.77765pt too wide) in paragraph at lines 8705--8705 [] \OT1/cmtt/m/n/10.95 jlgprmt : spherical Bessel functions for evergy G+p- vector and muffin-tin[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8705--8705 [] \OT1/cmtt/m/n/10.95 ylmgp : spherical harmonics of the G+p-vectors (in ,complex(lmmaxo,ngp))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 8705--8705 [] \OT1/cmtt/m/n/10.95 sfacgp : structure factors of the G+p-vectors (in,c omplex(ld2,natmtot))[] Underfull \hbox (badness 10000) in paragraph at lines 8706--8707 [187] [188] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8783--8783 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (out,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 8784--8785 [189] (./elk.aux) LaTeX Warning: Label(s) may have changed. Rerun to get cross-references right. ) (see the transcript file for additional information) Output written on elk.pdf (189 pages, 712915 bytes). Transcript written on elk.log. This is pdfTeX, Version 3.141592653-2.6-1.40.25 (TeX Live 2023/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./elk.tex LaTeX2e <2023-11-01> patch level 1 L3 programming layer <2024-01-22> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2023/05/17 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/auxhook/auxhook.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) (./elk.aux) (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (./elk.out) (./elk.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map} <./elk_silhouette.pdf>] (./elk.toc [2] [3] [4] [5] [6] [7] [8] [9]) [10] [11] [12] [13] [14] Overfull \hbox (14.77765pt too wide) in paragraph at lines 325--325 [] \OT1/cmtt/m/n/10.95 1 0 1 2.00000 T : nsp, ls p, ksp, occsp, spcore[] [15] [16] [17] [18] [19] [20] [21] Overfull \hbox (0.95221pt too wide) in paragraph at lines 679--683 []\OT1/cmr/m/n/10.95 If \OT1/cmtt/m/n/10.95 fracinr \OT1/cmr/m/n/10.95 is neg-a -tive then the frac-tion is de-ter-mined from $\OML/cmm/m/it/10.95 f \OT1/cmr/m /n/10.95 = []$ [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32] [33] [34] [35] [36] [37] [38] Overfull \hbox (13.04211pt too wide) in paragraph at lines 1477--1480 []\OT1/cmr/m/n/10.95 When this vari-able is \OT1/cmtt/m/n/10.95 .true.\OT1/cmr/ m/n/10.95 , the screened in-ter-ac-tion used in a $\OML/cmm/m/it/10.95 GW$ \OT1 /cmr/m/n/10.95 cal-cu-la-tion $\OML/cmm/m/it/10.95 W\OT1/cmr/m/n/10.95 (\OT1/cm r/bx/n/10.95 G\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 G[]\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 q\OML/cmm/m/it/10.95 ; !\OT1/cmr/m/n/10.95 )$ [39] [40] [41] [42] Underfull \hbox (badness 10000) in paragraph at lines 1677--1678 Underfull \hbox (badness 10000) in paragraph at lines 1707--1708 [43] Overfull \hbox (26.27502pt too wide) in paragraph at lines 1731--1731 [] \OT1/cmtt/m/n/10.95 subroutine atom(sol,ptnucl,zn,nst,n,l,k,occ,xctype,xcgra d,nr,r,eval,rho,vr,rwf) Overfull \hbox (26.27502pt too wide) in paragraph at lines 1749--1749 [] \OT1/cmtt/m/n/10.95 eval : eigenvalue without rest-mass energy for eac h state (out,real(nst))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1749--1749 [] \OT1/cmtt/m/n/10.95 rwf : major and minor components of radial wavefu nctions for each state[] Underfull \hbox (badness 10000) in paragraph at lines 1750--1751 [44] Underfull \hbox (badness 10000) in paragraph at lines 1774--1775 Underfull \hbox (badness 10000) in paragraph at lines 1802--1803 Underfull \hbox (badness 10000) in paragraph at lines 1824--1825 [45] Underfull \hbox (badness 10000) in paragraph at lines 1847--1848 Underfull \hbox (badness 10000) in paragraph at lines 1872--1873 [46] Underfull \hbox (badness 10000) in paragraph at lines 1909--1910 [47] Underfull \hbox (badness 10000) in paragraph at lines 1945--1946 [48] Underfull \hbox (badness 10000) in paragraph at lines 1969--1970 Underfull \hbox (badness 10000) in paragraph at lines 1990--1991 Underfull \hbox (badness 10000) in paragraph at lines 2013--2014 [49] Underfull \hbox (badness 10000) in paragraph at lines 2037--2038 [50] Underfull \hbox (badness 10000) in paragraph at lines 2066--2067 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2095--2095 [] \OT1/cmtt/m/n/10.95 tocc : .true. if just the occupied orbitals should contribute to the DOS[] Underfull \hbox (badness 10000) in paragraph at lines 2096--2097 [51] Underfull \hbox (badness 10000) in paragraph at lines 2129--2130 [52] Underfull \hbox (badness 10000) in paragraph at lines 2166--2167 Underfull \hbox (badness 10000) in paragraph at lines 2189--2190 [53] [54] Underfull \hbox (badness 10000) in paragraph at lines 2253--2254 Underfull \hbox (badness 10000) in paragraph at lines 2273--2274 Underfull \hbox (badness 10000) in paragraph at lines 2294--2295 [55] Underfull \hbox (badness 10000) in paragraph at lines 2319--2320 [56] Underfull \hbox (badness 10000) in paragraph at lines 2348--2349 Underfull \hbox (badness 10000) in paragraph at lines 2376--2377 [57] Underfull \hbox (badness 10000) in paragraph at lines 2401--2402 Underfull \hbox (badness 10000) in paragraph at lines 2424--2425 [58] Overfull \hbox (32.02371pt too wide) in paragraph at lines 2455--2455 [] \OT1/cmtt/m/n/10.95 demax : maximum allowed change from the input energy ; enforced only if e < 0[] Underfull \hbox (badness 10000) in paragraph at lines 2456--2457 [59] Underfull \hbox (badness 10000) in paragraph at lines 2488--2489 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2517--2517 [] \OT1/cmtt/m/n/10.95 nspnfv : number of first-variational spin components : 1 normal case, 2 for[] Underfull \hbox (badness 10000) in paragraph at lines 2518--2519 [60] Underfull \hbox (badness 10000) in paragraph at lines 2540--2541 Underfull \hbox (badness 10000) in paragraph at lines 2562--2563 [61] Overfull \hbox (9.02896pt too wide) in paragraph at lines 2599--2599 [] \OT1/cmtt/m/n/10.95 lspl : spatial rotation element in lattice point gro up for each symmetry[] Underfull \hbox (badness 10000) in paragraph at lines 2600--2601 Underfull \hbox (badness 10000) in paragraph at lines 2628--2629 [62] Underfull \hbox (badness 10000) in paragraph at lines 2661--2662 [63] Underfull \hbox (badness 10000) in paragraph at lines 2690--2691 [64] Underfull \hbox (badness 10000) in paragraph at lines 2767--2768 Underfull \hbox (badness 10000) in paragraph at lines 2789--2790 [65] Underfull \hbox (badness 10000) in paragraph at lines 2813--2814 [66] Underfull \hbox (badness 10000) in paragraph at lines 2838--2839 Underfull \hbox (badness 10000) in paragraph at lines 2859--2860 Underfull \hbox (badness 10000) in paragraph at lines 2884--2885 [67] Underfull \hbox (badness 10000) in paragraph at lines 2906--2907 Underfull \hbox (badness 10000) in paragraph at lines 2926--2927 [68] Underfull \hbox (badness 10000) in paragraph at lines 2956--2957 Underfull \hbox (badness 10000) in paragraph at lines 2983--2984 [69] Underfull \hbox (badness 10000) in paragraph at lines 3014--3015 [70] Underfull \hbox (badness 10000) in paragraph at lines 3048--3049 Underfull \hbox (badness 10000) in paragraph at lines 3071--3072 [71] Underfull \hbox (badness 10000) in paragraph at lines 3093--3094 Underfull \hbox (badness 10000) in paragraph at lines 3113--3114 [72] Overfull \hbox (32.02371pt too wide) in paragraph at lines 3149--3149 [] \OT1/cmtt/m/n/10.95 pure subroutine gengkvec(ngv,ivg,vgc,vkl,vkc,gkmax,ngkma x,ngk,igkig,vgkl,vgkc, & Underfull \hbox (badness 10000) in paragraph at lines 3162--3163 [73] Underfull \hbox (badness 10000) in paragraph at lines 3183--3184 Underfull \hbox (badness 10000) in paragraph at lines 3207--3208 [74] Underfull \hbox (badness 10000) in paragraph at lines 3232--3233 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3257--3257 [] \OT1/cmtt/m/n/10.95 first-variational basis; second-variational otherwise (in,logical)[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3257--3257 [] \OT1/cmtt/m/n/10.95 tvclvr : .true. if the non-local Coulomb potential f rom the core states is[] Underfull \hbox (badness 10000) in paragraph at lines 3258--3259 [75] Underfull \hbox (badness 10000) in paragraph at lines 3277--3278 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3310--3310 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,inte ger(ngkmax,nspnfv))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3310--3310 [] \OT1/cmtt/m/n/10.95 vgpc : G+p-vectors in Cartesian coordinates (in,rea l(3,ngkmax,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3311--3312 [76] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3337--3337 [] \OT1/cmtt/m/n/10.95 subroutine genppts(tfbz,nsym,sym,ngridp,npptnr,epslat,bv ec,boxl,nppt,ipvip, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 3363--3363 [] \OT1/cmtt/m/n/10.95 tfbz : .true. if vpl and vpc should be mapped to the first Brillouin zone Overfull \hbox (26.27502pt too wide) in paragraph at lines 3363--3363 [] \OT1/cmtt/m/n/10.95 nsym : number of point group symmetries used for reduction, set to 1 for[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3363--3363 [] \OT1/cmtt/m/n/10.95 npptnr : number of non-reduced p-points: ngridp(1)* ngridp(2)*ngridp(3)[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3363--3363 [] \OT1/cmtt/m/n/10.95 boxl : corners of box containing p-points in latt ice coordinates, the[] Underfull \hbox (badness 10000) in paragraph at lines 3364--3365 [77] Underfull \hbox (badness 10000) in paragraph at lines 3402--3403 [78] Underfull \hbox (badness 10000) in paragraph at lines 3433--3434 Underfull \hbox (badness 10000) in paragraph at lines 3455--3456 [79] Underfull \hbox (badness 10000) in paragraph at lines 3477--3478 Underfull \hbox (badness 10000) in paragraph at lines 3497--3498 [80] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3529--3529 [] \OT1/cmtt/m/n/10.95 jlgqr : spherical Bessel functions evaluated on the coarse radial mesh for[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3529--3529 [] \OT1/cmtt/m/n/10.95 ylmgq : spherical harmonics of the G+q-vectors (in, complex(lmmaxo,ngrf))[] Underfull \hbox (badness 10000) in paragraph at lines 3530--3531 [81] Underfull \hbox (badness 10000) in paragraph at lines 3580--3581 Overfull \hbox (2.63586pt too wide) in paragraph at lines 3583--3585 []\OT1/cmr/m/n/10.95 Calculates the Coulomb ma-trix el-e-ments of the type $\OM L/cmm/m/it/10.95 V\OT1/cmr/m/n/10.95 (1\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/ 10.95 1)$. See the rou-tine \OT1/cmtt/m/n/10.95 genvcl1223 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3600--3600 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3601--3602 [82] Underfull \hbox (badness 10000) in paragraph at lines 3628--3629 Underfull \hbox (badness 10000) in paragraph at lines 3649--3650 [83] Underfull \hbox (badness 10000) in paragraph at lines 3672--3673 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3691--3691 [] \OT1/cmtt/m/n/10.95 subroutine genwfsv(tsh,tgp,nst,idx,ngdg,igf,ngp,igpig,ap walm,evecfv,evecsv, & Overfull \hbox (20.52634pt too wide) in paragraph at lines 3712--3712 [] \OT1/cmtt/m/n/10.95 tsh : .true. if wfmt should be in spherical harmo nic basis (in,logical) Overfull \hbox (3.28027pt too wide) in paragraph at lines 3712--3712 [] \OT1/cmtt/m/n/10.95 tgp : .true. if wfir should be in G+p-space, othe rwise in real-space[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3712--3712 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3712--3712 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3712--3712 [] \OT1/cmtt/m/n/10.95 wfmt : muffin-tin part of the wavefunctions for ev ery state in spherical[] Underfull \hbox (badness 10000) in paragraph at lines 3713--3714 [84] Underfull \hbox (badness 10000) in paragraph at lines 3736--3737 Underfull \hbox (badness 10000) in paragraph at lines 3757--3758 [85] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3786--3786 [] \OT1/cmtt/m/n/10.95 vgpl : G+p-vectors in lattice coordinates (out,rea l(3,ngkmax,nspnfv))[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3786--3786 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (out,complex (nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3787--3788 [86] Underfull \hbox (badness 10000) in paragraph at lines 3811--3812 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3831--3831 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3832--3833 Underfull \hbox (badness 10000) in paragraph at lines 3851--3852 [87] Underfull \hbox (badness 10000) in paragraph at lines 3869--3870 Underfull \hbox (badness 10000) in paragraph at lines 3887--3888 [88] Underfull \hbox (badness 10000) in paragraph at lines 3914--3915 Underfull \hbox (badness 10000) in paragraph at lines 3940--3941 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3962--3962 [] \OT1/cmtt/m/n/10.95 subroutine ggair_sp_2b(g2up,g2dn,gvup,gvdn,vxup,vxdn,vcu p,vcdn,dxdgu2,dxdgd2, & [89] Underfull \hbox (badness 10000) in paragraph at lines 3964--3965 Underfull \hbox (badness 10000) in paragraph at lines 3983--3984 Underfull \hbox (badness 10000) in paragraph at lines 4001--4002 [90] Underfull \hbox (badness 10000) in paragraph at lines 4019--4020 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4035--4035 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_1(is,np,rhoup,rhodn,grho,gup,gdn,g2u p,g2dn,g3rho,g3up,g3dn) Underfull \hbox (badness 10000) in paragraph at lines 4049--4050 [91] Overfull \hbox (14.77765pt too wide) in paragraph at lines 4074--4074 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2a(is,np,rhoup,rhodn,g2up,g2dn,gvup, gvdn,gup2,gdn2,gupdn) Underfull \hbox (badness 10000) in paragraph at lines 4076--4077 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4128--4128 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2b(is,np,g2up,g2dn,gvup,gvdn,vxup,vx dn,vcup,vcdn,dxdgu2, & Underfull \hbox (badness 10000) in paragraph at lines 4130--4131 [92] Underfull \hbox (badness 10000) in paragraph at lines 4155--4156 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4185--4185 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the m uffin-tin (in,integer)[] [93] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4185--4185 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial m esh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4186--4187 Overfull \hbox (3.28027pt too wide) in paragraph at lines 4217--4217 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4218--4219 [94] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4248--4248 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4249--4250 [95] Underfull \hbox (badness 10000) in paragraph at lines 4293--4294 [96] Underfull \hbox (badness 10000) in paragraph at lines 4319--4320 Underfull \hbox (badness 10000) in paragraph at lines 4348--4349 [97] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4375--4375 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 4376--4377 [98] Underfull \hbox (badness 10000) in paragraph at lines 4399--4400 Underfull \hbox (badness 10000) in paragraph at lines 4423--4424 [99] Underfull \hbox (badness 10000) in paragraph at lines 4454--4455 Underfull \hbox (badness 10000) in paragraph at lines 4474--4475 [100] Underfull \hbox (badness 10000) in paragraph at lines 4501--4502 Underfull \hbox (badness 10000) in paragraph at lines 4525--4526 [101] Underfull \hbox (badness 10000) in paragraph at lines 4548--4549 Underfull \hbox (badness 10000) in paragraph at lines 4571--4572 [102] Underfull \hbox (badness 10000) in paragraph at lines 4602--4603 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4636--4636 [] \OT1/cmtt/m/n/10.95 subroutine xcifc_libxc(xctype,n,tempa,rho,rhoup,rhodn,g2 rho,g2up,g2dn,grho2, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 4636--4636 [] \OT1/cmtt/m/n/10.95 gup2,gdn2,gupdn,tau,tauup,taudn,ex,ec,vx,vc,vxup,vxdn,v cup,vcdn,dxdgr2,dxdgu2,&[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4636--4636 [] \OT1/cmtt/m/n/10.95 dxdgd2,dxdgud,dcdgr2,dcdgu2,dcdgd2,dcdgud,dxdg2r,dxdg2u ,dxdg2d,dcdg2r,dcdg2u, &[] [103] Underfull \hbox (badness 10000) in paragraph at lines 4682--4683 Overfull \hbox (6.55638pt too wide) in paragraph at lines 4685--4689 \OT1/cmtt/m/n/10.95 http://www.tddft.org/programs/octopus/wiki/index.php/Libxc\ OT1/cmr/m/n/10.95 . The sec-ond and third [104] Underfull \hbox (badness 10000) in paragraph at lines 4710--4711 Underfull \hbox (badness 10000) in paragraph at lines 4734--4735 [105] Underfull \hbox (badness 10000) in paragraph at lines 4758--4759 [106] Underfull \hbox (badness 10000) in paragraph at lines 4795--4796 [107] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4843--4843 [] \OT1/cmtt/m/n/10.95 nu : current output vector as well as the next input vector of the[] Underfull \hbox (badness 10000) in paragraph at lines 4844--4845 Underfull \hbox (badness 10000) in paragraph at lines 4874--4875 [108] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4900--4900 [] \OT1/cmtt/m/n/10.95 subroutine xcifc(xctype,n,tempa,rho,rhoup,rhodn,grho,gup ,gdn,g2rho,g2up,g2dn, & Overfull \hbox (26.27502pt too wide) in paragraph at lines 4900--4900 [] \OT1/cmtt/m/n/10.95 g3rho,g3up,g3dn,grho2,gup2,gdn2,gupdn,tau,tauup,taudn,e x,ec,vx,vc,vxup,vxdn, &[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4900--4900 [] \OT1/cmtt/m/n/10.95 vcup,vcdn,dxdgr2,dxdgu2,dxdgd2,dxdgud,dcdgr2,dcdgu2,dcd gd2,dcdgud,dxdg2r, &[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4900--4900 [] \OT1/cmtt/m/n/10.95 dxdg2u,dxdg2d,dcdg2r,dcdg2u,dcdg2d,wx,wxup,wxdn,wc,wcup ,wcdn,dtdr,dtdru,dtdrd,&[] [109] Underfull \hbox (badness 10000) in paragraph at lines 4960--4961 [110] Underfull \hbox (badness 10000) in paragraph at lines 4994--4995 Underfull \hbox (badness 10000) in paragraph at lines 5018--5019 [111] Underfull \hbox (badness 10000) in paragraph at lines 5039--5040 Overfull \hbox (32.02371pt too wide) in paragraph at lines 5051--5051 [] \OT1/cmtt/m/n/10.95 Contact hyperfine field evaluated at the nuclear rad ius rather than averaged[] Underfull \hbox (badness 10000) in paragraph at lines 5065--5066 [112] Underfull \hbox (badness 10000) in paragraph at lines 5086--5087 Underfull \hbox (badness 10000) in paragraph at lines 5109--5110 [113] Underfull \hbox (badness 10000) in paragraph at lines 5139--5140 Underfull \hbox (badness 10000) in paragraph at lines 5164--5165 [114] Underfull \hbox (badness 10000) in paragraph at lines 5187--5188 Underfull \hbox (badness 10000) in paragraph at lines 5219--5220 [115] Underfull \hbox (badness 10000) in paragraph at lines 5245--5246 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5270--5270 [] \OT1/cmtt/m/n/10.95 tproj : .true. if nf=3 and the vector function shoul d be projected onto the Underfull \hbox (badness 10000) in paragraph at lines 5271--5272 [116] Underfull \hbox (badness 10000) in paragraph at lines 5295--5296 Overfull \hbox (3.28027pt too wide) in paragraph at lines 5322--5322 [] \OT1/cmtt/m/n/10.95 vpl : connecting point vectors in lattice coordinat es (out,real(3,np))[] Underfull \hbox (badness 10000) in paragraph at lines 5323--5324 [117] Underfull \hbox (badness 10000) in paragraph at lines 5351--5352 Underfull \hbox (badness 10000) in paragraph at lines 5381--5382 [118] Underfull \hbox (badness 10000) in paragraph at lines 5403--5404 Underfull \hbox (badness 10000) in paragraph at lines 5426--5427 Overfull \hbox (0.21347pt too wide) in paragraph at lines 5429--5432 []\OT1/cmr/m/n/10.95 Computes the Kohn-Sham ef-fec-tive po-ten-tial by adding t o-gether the Coulomb and exchange- [119] Underfull \hbox (badness 10000) in paragraph at lines 5450--5451 Underfull \hbox (badness 10000) in paragraph at lines 5474--5475 [120] Overfull \hbox (26.27502pt too wide) in paragraph at lines 5492--5492 [] \OT1/cmtt/m/n/10.95 subroutine potxc(tsh,xctype_,rhomt_,rhoir_,magmt_,magir_ ,taumt_,tauir_,exmt_, & Underfull \hbox (badness 10000) in paragraph at lines 5495--5496 Underfull \hbox (badness 10000) in paragraph at lines 5520--5521 [121] Underfull \hbox (badness 10000) in paragraph at lines 5539--5540 Underfull \hbox (badness 10000) in paragraph at lines 5560--5561 Underfull \hbox (badness 10000) in paragraph at lines 5579--5580 [122] Underfull \hbox (badness 10000) in paragraph at lines 5599--5600 Underfull \hbox (badness 10000) in paragraph at lines 5619--5620 [123] Underfull \hbox (badness 10000) in paragraph at lines 5639--5640 Underfull \hbox (badness 10000) in paragraph at lines 5659--5660 Underfull \hbox (badness 10000) in paragraph at lines 5679--5680 [124] Underfull \hbox (badness 10000) in paragraph at lines 5697--5698 [125] Underfull \hbox (badness 10000) in paragraph at lines 5731--5732 Underfull \hbox (badness 10000) in paragraph at lines 5766--5767 [126] Underfull \hbox (badness 10000) in paragraph at lines 5801--5802 Overfull \hbox (0.44627pt too wide) in paragraph at lines 5804--5806 []\OT1/cmr/m/n/10.95 Calculates the deriva-tive of the to-tal en-ergy w.r.t. th e second-variational co-ef-fi-cients \OT1/cmtt/m/n/10.95 evecsv\OT1/cmr/m/n/10. 95 . Underfull \hbox (badness 10000) in paragraph at lines 5823--5824 [127] Underfull \hbox (badness 10000) in paragraph at lines 5844--5845 Underfull \hbox (badness 10000) in paragraph at lines 5865--5866 [128] Underfull \hbox (badness 10000) in paragraph at lines 5886--5887 Underfull \hbox (badness 10000) in paragraph at lines 5907--5908 [129] Underfull \hbox (badness 10000) in paragraph at lines 5928--5929 Underfull \hbox (badness 10000) in paragraph at lines 5948--5949 [130] Underfull \hbox (badness 10000) in paragraph at lines 5967--5968 Underfull \hbox (badness 10000) in paragraph at lines 5988--5989 Underfull \hbox (badness 10000) in paragraph at lines 6010--6011 [131] Underfull \hbox (badness 10000) in paragraph at lines 6030--6031 Underfull \hbox (badness 10000) in paragraph at lines 6051--6052 [132] Underfull \hbox (badness 10000) in paragraph at lines 6072--6073 Underfull \hbox (badness 10000) in paragraph at lines 6093--6094 [133] Underfull \hbox (badness 10000) in paragraph at lines 6120--6121 Overfull \hbox (5.17302pt too wide) in paragraph at lines 6123--6125 []\OT1/cmr/m/n/10.95 Writes the deriva-tive of to-tal en-ergy with re-spect to oc-cu-pa-tion num-bers to file \OT1/cmtt/m/n/10.95 RDM[]DEDN.OUT\OT1/cmr/m/n/10 .95 . Underfull \hbox (badness 10000) in paragraph at lines 6141--6142 Underfull \hbox (badness 10000) in paragraph at lines 6159--6160 [134] Underfull \hbox (badness 10000) in paragraph at lines 6192--6193 [135] Underfull \hbox (badness 10000) in paragraph at lines 6212--6213 Underfull \hbox (badness 10000) in paragraph at lines 6234--6235 [136] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6266--6266 [] \OT1/cmtt/m/n/10.95 rfir1 : first real interstitial function in real-spa ce (in,real(ngtot))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6266--6266 [] \OT1/cmtt/m/n/10.95 rfmt2 : second function in real spherical harmonics for all muffin-tins[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6266--6266 [] \OT1/cmtt/m/n/10.95 rfir2 : second real interstitial function in real-sp ace (in,real(ngtot))[] Underfull \hbox (badness 10000) in paragraph at lines 6267--6268 Underfull \hbox (badness 10000) in paragraph at lines 6296--6297 [137] Underfull \hbox (badness 10000) in paragraph at lines 6319--6320 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6343--6343 [] \OT1/cmtt/m/n/10.95 nri : number of radial mesh points on the inner pa rt of the muffin-tin[] Underfull \hbox (badness 10000) in paragraph at lines 6344--6345 [138] Underfull \hbox (badness 10000) in paragraph at lines 6368--6369 Underfull \hbox (badness 10000) in paragraph at lines 6390--6391 [139] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6420--6420 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 6420--6420 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 6421--6422 [140] Underfull \hbox (badness 10000) in paragraph at lines 6452--6453 Underfull \hbox (badness 10000) in paragraph at lines 6471--6472 Underfull \hbox (badness 10000) in paragraph at lines 6494--6495 [141] Underfull \hbox (badness 10000) in paragraph at lines 6517--6518 Underfull \hbox (badness 10000) in paragraph at lines 6552--6553 [142] Underfull \hbox (badness 10000) in paragraph at lines 6604--6605 [143] Underfull \hbox (badness 10000) in paragraph at lines 6631--6632 [144] Overfull \hbox (14.77765pt too wide) in paragraph at lines 6678--6678 [] \OT1/cmtt/m/n/10.95 zflm1 : coefficients of the complex spherical harmon ic expansion for each[] Underfull \hbox (badness 10000) in paragraph at lines 6679--6680 Underfull \hbox (badness 10000) in paragraph at lines 6713--6714 [145] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6752--6752 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (in,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 6753--6754 [146] Underfull \hbox (badness 10000) in paragraph at lines 6782--6783 Underfull \hbox (badness 10000) in paragraph at lines 6804--6805 [147] Underfull \hbox (badness 10000) in paragraph at lines 6834--6835 [148] Underfull \hbox (badness 10000) in paragraph at lines 6866--6867 [149] Underfull \hbox (badness 10000) in paragraph at lines 6894--6895 Underfull \hbox (badness 10000) in paragraph at lines 6929--6930 [150] Underfull \hbox (badness 10000) in paragraph at lines 6948--6949 Underfull \hbox (badness 10000) in paragraph at lines 6968--6969 [151] Underfull \hbox (badness 10000) in paragraph at lines 6995--6996 Underfull \hbox (badness 10000) in paragraph at lines 7018--7019 [152] Underfull \hbox (badness 10000) in paragraph at lines 7044--7045 Underfull \hbox (badness 10000) in paragraph at lines 7072--7073 [153] Underfull \hbox (badness 10000) in paragraph at lines 7100--7101 Underfull \hbox (badness 10000) in paragraph at lines 7122--7123 [154] Underfull \hbox (badness 10000) in paragraph at lines 7150--7151 Underfull \hbox (badness 10000) in paragraph at lines 7173--7174 [155] Underfull \hbox (badness 10000) in paragraph at lines 7197--7198 Underfull \hbox (badness 10000) in paragraph at lines 7218--7219 [156] Underfull \hbox (badness 10000) in paragraph at lines 7238--7239 Underfull \hbox (badness 10000) in paragraph at lines 7267--7268 [157] Underfull \hbox (badness 10000) in paragraph at lines 7290--7291 [158] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7328--7328 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (in ,integer(nspecies))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7328--7328 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (in ,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7329--7330 Underfull \hbox (badness 10000) in paragraph at lines 7358--7359 [159] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7377--7377 [] \OT1/cmtt/m/n/10.95 subroutine symrvf(tspin,tnc,nr,nri,np,ngdg,ngt,ngv,igf,l d1,rvfmt,ld2,rvfir) Overfull \hbox (3.28027pt too wide) in paragraph at lines 7393--7393 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species (in ,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7393--7393 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (i n,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7393--7393 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (i n,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7394--7395 [160] Underfull \hbox (badness 10000) in paragraph at lines 7431--7432 Overfull \hbox (14.77765pt too wide) in paragraph at lines 7450--7450 [] \OT1/cmtt/m/n/10.95 vca : vectors in Cartesian coordinates for all atoms (in,real(3,natmtot)) Underfull \hbox (badness 10000) in paragraph at lines 7451--7452 [161] Underfull \hbox (badness 10000) in paragraph at lines 7470--7471 Underfull \hbox (badness 10000) in paragraph at lines 7493--7494 [162] Underfull \hbox (badness 10000) in paragraph at lines 7535--7536 [163] Underfull \hbox (badness 10000) in paragraph at lines 7587--7588 [164] Underfull \hbox (badness 10000) in paragraph at lines 7607--7608 Underfull \hbox (badness 10000) in paragraph at lines 7630--7631 Underfull \hbox (badness 10000) in paragraph at lines 7649--7650 [165] Overfull \hbox (20.52634pt too wide) in paragraph at lines 7682--7682 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 7683--7684 [166] Underfull \hbox (badness 10000) in paragraph at lines 7719--7720 Underfull \hbox (badness 10000) in paragraph at lines 7749--7750 [167] Underfull \hbox (badness 10000) in paragraph at lines 7771--7772 Underfull \hbox (badness 10000) in paragraph at lines 7797--7798 [168] Underfull \hbox (badness 10000) in paragraph at lines 7816--7817 Underfull \hbox (badness 10000) in paragraph at lines 7834--7835 [169] Underfull \hbox (badness 10000) in paragraph at lines 7856--7857 Underfull \hbox (badness 10000) in paragraph at lines 7876--7877 [170] Underfull \hbox (badness 10000) in paragraph at lines 7899--7900 Underfull \hbox (badness 10000) in paragraph at lines 7919--7920 Underfull \hbox (badness 10000) in paragraph at lines 7938--7939 [171] Overfull \hbox (16.14984pt too wide) in paragraph at lines 7941--7943 []\OT1/cmr/m/n/10.95 Writes the lin-eari-sa-tion en-er-gies for all APW and loc al-orbital func-tions to the file \OT1/cmtt/m/n/10.95 LINENGY.OUT\OT1/cmr/m/n/1 0.95 . Underfull \hbox (badness 10000) in paragraph at lines 7958--7959 Underfull \hbox (badness 10000) in paragraph at lines 7978--7979 [172] Underfull \hbox (badness 10000) in paragraph at lines 7998--7999 Underfull \hbox (badness 10000) in paragraph at lines 8021--8022 [173] Underfull \hbox (badness 10000) in paragraph at lines 8049--8050 Underfull \hbox (badness 10000) in paragraph at lines 8073--8074 [174] Underfull \hbox (badness 10000) in paragraph at lines 8094--8095 Underfull \hbox (badness 10000) in paragraph at lines 8122--8123 [175] Underfull \hbox (badness 10000) in paragraph at lines 8148--8149 Underfull \hbox (badness 10000) in paragraph at lines 8169--8170 [176] Underfull \hbox (badness 10000) in paragraph at lines 8189--8190 Underfull \hbox (badness 10000) in paragraph at lines 8211--8212 [177] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8231--8231 [] \OT1/cmtt/m/n/10.95 subroutine xc_pbe(n,kappa,mu,beta,rhoup,rhodn,grho,gup,g dn,g2up,g2dn,g3rho, & Underfull \hbox (badness 10000) in paragraph at lines 8252--8253 [178] Underfull \hbox (badness 10000) in paragraph at lines 8284--8285 Underfull \hbox (badness 10000) in paragraph at lines 8310--8311 [179] Underfull \hbox (badness 10000) in paragraph at lines 8339--8340 Underfull \hbox (badness 10000) in paragraph at lines 8363--8364 [180] Underfull \hbox (badness 10000) in paragraph at lines 8386--8387 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8414--8414 [] \OT1/cmtt/m/n/10.95 dy : rotation matrix for complex spherical harmoni cs (out,real(ld,*))[] Underfull \hbox (badness 10000) in paragraph at lines 8415--8416 [181] Underfull \hbox (badness 10000) in paragraph at lines 8444--8445 Underfull \hbox (badness 10000) in paragraph at lines 8465--8466 [182] Underfull \hbox (badness 10000) in paragraph at lines 8486--8487 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8510--8510 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8511--8512 [183] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8536--8536 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8537--8538 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8568--8568 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8569--8570 [184] Underfull \hbox (badness 10000) in paragraph at lines 8596--8597 [185] Underfull \hbox (badness 10000) in paragraph at lines 8625--8626 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8657--8657 [] \OT1/cmtt/m/n/10.95 wpr : weights for partial integration on radial m esh (in,real(4,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 8658--8659 [186] Overfull \hbox (32.02371pt too wide) in paragraph at lines 8681--8681 [] \OT1/cmtt/m/n/10.95 subroutine zpotcoul(nr,nri,np,ld1,rl,ngdg,igf,ngp,gpc,gc lgp,ld2,jlgprmt,ylmgp, & Overfull \hbox (14.77765pt too wide) in paragraph at lines 8705--8705 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species ( in,integer(nspecies)) Overfull \hbox (14.77765pt too wide) in paragraph at lines 8705--8705 [] \OT1/cmtt/m/n/10.95 jlgprmt : spherical Bessel functions for evergy G+p- vector and muffin-tin[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8705--8705 [] \OT1/cmtt/m/n/10.95 ylmgp : spherical harmonics of the G+p-vectors (in ,complex(lmmaxo,ngp))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 8705--8705 [] \OT1/cmtt/m/n/10.95 sfacgp : structure factors of the G+p-vectors (in,c omplex(ld2,natmtot))[] Underfull \hbox (badness 10000) in paragraph at lines 8706--8707 [187] [188] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8783--8783 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (out,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 8784--8785 [189] (./elk.aux) ) (see the transcript file for additional information) Output written on elk.pdf (189 pages, 712902 bytes). Transcript written on elk.log. make[2]: Leaving directory '/build/reproducible-path/elkcode-9.2.12/src' (cd src/spacegroup; /usr/bin/make doc) make[2]: Entering directory '/build/reproducible-path/elkcode-9.2.12/src/spacegroup' ../protex -s main.f90 modmain.f90 readinput.f90 gencrystal.f90 sgsymb.f90 seitzgen.f90 gengroup.f90 seitzeq.f90 seitzmul.f90 writegeom.f90 geomplot.f90 findprimcell.f90 r3frac.f90 r3mv.f90 r3cross.f90 r3minv.f90 r3mm.f90 > spacegroup.tex pdflatex spacegroup;pdflatex spacegroup;pdflatex spacegroup This is pdfTeX, Version 3.141592653-2.6-1.40.25 (TeX Live 2023/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./spacegroup.tex LaTeX2e <2023-11-01> patch level 1 L3 programming layer <2024-01-22> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2023/05/17 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/auxhook/auxhook.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) No file spacegroup.aux. (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map}] No file spacegroup.toc. [2] [3] [4] Overfull \vbox (38.86952pt too high) has occurred while \output is active [5] Overfull \vbox (38.86952pt too high) has occurred while \output is active [6] Overfull \vbox (38.86952pt too high) has occurred while \output is active [7] Overfull \vbox (38.86952pt too high) has occurred while \output is active [8] Overfull \vbox (38.86952pt too high) has occurred while \output is active [9] Overfull \vbox (38.86952pt too high) has occurred while \output is active [10] Overfull \vbox (38.86952pt too high) has occurred while \output is active [11] Overfull \vbox (38.86952pt too high) has occurred while \output is active [12] Overfull \vbox (38.86952pt too high) has occurred while \output is active [13] Overfull \vbox (38.86952pt too high) has occurred while \output is active [14] [15] Underfull \hbox (badness 10000) in paragraph at lines 791--792 Underfull \hbox (badness 10000) in paragraph at lines 812--813 [16] Underfull \hbox (badness 10000) in paragraph at lines 835--836 Underfull \hbox (badness 10000) in paragraph at lines 858--859 Underfull \hbox (badness 10000) in paragraph at lines 878--879 [17] Underfull \hbox (badness 10000) in paragraph at lines 897--898 Underfull \hbox (badness 10000) in paragraph at lines 917--918 [18] (./spacegroup.aux) LaTeX Warning: Label(s) may have changed. Rerun to get cross-references right. Package rerunfilecheck Warning: File `spacegroup.out' has changed. (rerunfilecheck) Rerun to get outlines right (rerunfilecheck) or use package `bookmark'. ) (see the transcript file for additional information) Output written on spacegroup.pdf (18 pages, 191511 bytes). Transcript written on spacegroup.log. This is pdfTeX, Version 3.141592653-2.6-1.40.25 (TeX Live 2023/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./spacegroup.tex LaTeX2e <2023-11-01> patch level 1 L3 programming layer <2024-01-22> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2023/05/17 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/auxhook/auxhook.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) (./spacegroup.aux) (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (./spacegroup.out) (./spacegroup.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map}] (./spacegroup.toc) [2] [3] [4] Overfull \vbox (38.86952pt too high) has occurred while \output is active [5] Overfull \vbox (38.86952pt too high) has occurred while \output is active [6] Overfull \vbox (38.86952pt too high) has occurred while \output is active [7] Overfull \vbox (38.86952pt too high) has occurred while \output is active [8] Overfull \vbox (38.86952pt too high) has occurred while \output is active [9] Overfull \vbox (38.86952pt too high) has occurred while \output is active [10] Overfull \vbox (38.86952pt too high) has occurred while \output is active [11] Overfull \vbox (38.86952pt too high) has occurred while \output is active [12] Overfull \vbox (38.86952pt too high) has occurred while \output is active [13] Overfull \vbox (38.86952pt too high) has occurred while \output is active [14] [15] Underfull \hbox (badness 10000) in paragraph at lines 791--792 Underfull \hbox (badness 10000) in paragraph at lines 812--813 [16] Underfull \hbox (badness 10000) in paragraph at lines 835--836 Underfull \hbox (badness 10000) in paragraph at lines 858--859 Underfull \hbox (badness 10000) in paragraph at lines 878--879 [17] Underfull \hbox (badness 10000) in paragraph at lines 897--898 Underfull \hbox (badness 10000) in paragraph at lines 917--918 [18] (./spacegroup.aux) ) (see the transcript file for additional information) Output written on spacegroup.pdf (18 pages, 198917 bytes). Transcript written on spacegroup.log. This is pdfTeX, Version 3.141592653-2.6-1.40.25 (TeX Live 2023/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./spacegroup.tex LaTeX2e <2023-11-01> patch level 1 L3 programming layer <2024-01-22> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2023/05/17 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/auxhook/auxhook.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) (./spacegroup.aux) (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (./spacegroup.out) (./spacegroup.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map}] (./spacegroup.toc) [2] [3] [4] Overfull \vbox (38.86952pt too high) has occurred while \output is active [5] Overfull \vbox (38.86952pt too high) has occurred while \output is active [6] Overfull \vbox (38.86952pt too high) has occurred while \output is active [7] Overfull \vbox (38.86952pt too high) has occurred while \output is active [8] Overfull \vbox (38.86952pt too high) has occurred while \output is active [9] Overfull \vbox (38.86952pt too high) has occurred while \output is active [10] Overfull \vbox (38.86952pt too high) has occurred while \output is active [11] Overfull \vbox (38.86952pt too high) has occurred while \output is active [12] Overfull \vbox (38.86952pt too high) has occurred while \output is active [13] Overfull \vbox (38.86952pt too high) has occurred while \output is active [14] [15] Underfull \hbox (badness 10000) in paragraph at lines 791--792 Underfull \hbox (badness 10000) in paragraph at lines 812--813 [16] Underfull \hbox (badness 10000) in paragraph at lines 835--836 Underfull \hbox (badness 10000) in paragraph at lines 858--859 Underfull \hbox (badness 10000) in paragraph at lines 878--879 [17] Underfull \hbox (badness 10000) in paragraph at lines 897--898 Underfull \hbox (badness 10000) in paragraph at lines 917--918 [18] (./spacegroup.aux) ) (see the transcript file for additional information) Output written on spacegroup.pdf (18 pages, 198917 bytes). Transcript written on spacegroup.log. make[2]: Leaving directory '/build/reproducible-path/elkcode-9.2.12/src/spacegroup' make[1]: Leaving directory '/build/reproducible-path/elkcode-9.2.12' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/elkcode-9.2.12' (cd tests; OMPI_MCA_orte_rsh_agent=/bin/false bash ./tests_quick.sh) Running test in directory test_001... [i-capture-the-hostname:127716] pmix_mca_base_component_repository_open: unable to open mca_gds_ds12: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) [i-capture-the-hostname:127716] pmix_mca_base_component_repository_open: unable to open mca_gds_ds21: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) +---------------------------------+ | Elk code version 9.2.12 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 24 Total number of threads (MPI x OpenMP) : 24 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 24 Number of MKL threads : 24 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 3 (Cu) from 2.4000 to 1.9694 Info(checkmt): changed muffin-tin radius of species 4 (O) from 1.8000 to 1.4770 Info(findsymcrys): atomic basis shift (lattice) : 0.5000000000 0.5000000000 0.5000000000 See GEOMETRY.OUT for new atomic positions Warning(gndstate): failed to reach self-consistency after 4 loops +-----------------------+ | Current task : 1 | +-----------------------+ Warning(gndstate): failed to reach self-consistency after 4 loops +-----------------------+ | Current task : 115 | +-----------------------+ Info(writeefg): electric field gradient written to EFG.OUT +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_002... [i-capture-the-hostname:09127] pmix_mca_base_component_repository_open: unable to open mca_gds_ds12: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) [i-capture-the-hostname:09127] pmix_mca_base_component_repository_open: unable to open mca_gds_ds21: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) +---------------------------------+ | Elk code version 9.2.12 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 24 Total number of threads (MPI x OpenMP) : 24 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 24 Number of MKL threads : 24 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Fe) from 2.4000 to 2.3202 Warning(gndstate): failed to reach self-consistency after 5 loops +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_003... [i-capture-the-hostname:10105] pmix_mca_base_component_repository_open: unable to open mca_gds_ds12: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) [i-capture-the-hostname:10105] pmix_mca_base_component_repository_open: unable to open mca_gds_ds21: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) +---------------------------------+ | Elk code version 9.2.12 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 24 Total number of threads (MPI x OpenMP) : 24 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 24 Number of MKL threads : 24 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Si) from 2.2000 to 2.1436 Info(findsymcrys): atomic basis shift (lattice) : 0.3650000000 0.3650000000 0.3650000000 See GEOMETRY.OUT for new atomic positions Warning(gndstate): failed to reach self-consistency after 10 loops +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_005... [i-capture-the-hostname:11397] pmix_mca_base_component_repository_open: unable to open mca_gds_ds12: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) [i-capture-the-hostname:11397] pmix_mca_base_component_repository_open: unable to open mca_gds_ds21: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) +---------------------------------+ | Elk code version 9.2.12 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 24 Total number of threads (MPI x OpenMP) : 24 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 24 Number of MKL threads : 24 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Fe) from 2.4000 to 2.3615 Warning(gndstate): failed to reach self-consistency after 5 loops +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_007... [i-capture-the-hostname:12486] pmix_mca_base_component_repository_open: unable to open mca_gds_ds12: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) [i-capture-the-hostname:12486] pmix_mca_base_component_repository_open: unable to open mca_gds_ds21: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) +---------------------------------+ | Elk code version 9.2.12 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 24 Total number of threads (MPI x OpenMP) : 24 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 24 Number of MKL threads : 24 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ +-----------------------+ | Current task : 15 | +-----------------------+ Info(writelsj): muffin-tin L, S and J expectation values written to LSJ.OUT +-----------------------+ | Current task : 16 | +-----------------------+ Info(writelsj): muffin-tin L, S and J expectation values for each k-point and state in kstlist written to LSJ_KST.OUT +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_009... [i-capture-the-hostname:20848] pmix_mca_base_component_repository_open: unable to open mca_gds_ds12: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) [i-capture-the-hostname:20848] pmix_mca_base_component_repository_open: unable to open mca_gds_ds21: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) +---------------------------------+ | Elk code version 9.2.12 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 24 Total number of threads (MPI x OpenMP) : 24 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 24 Number of MKL threads : 24 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (B) from 1.8000 to 1.6129 Info(checkmt): changed muffin-tin radius of species 2 (N+) from 1.4500 to 1.2993 Warning(gndstate): failed to reach self-consistency after 6 loops +-----------------------+ | Current task : 140 | +-----------------------+ Info(elnes): 1 of 8 k-points Info(elnes): 7 of 8 k-points Info(elnes): 8 of 8 k-points Info(elnes): 6 of 8 k-points Info(elnes): 4 of 8 k-points Info(elnes): 2 of 8 k-points Info(elnes): 3 of 8 k-points Info(elnes): 5 of 8 k-points Info(elnes): ELNES double differential cross-section written to ELNES.OUT +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_010... [i-capture-the-hostname:23369] pmix_mca_base_component_repository_open: unable to open mca_gds_ds12: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) [i-capture-the-hostname:23369] pmix_mca_base_component_repository_open: unable to open mca_gds_ds21: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) +---------------------------------+ | Elk code version 9.2.12 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 24 Total number of threads (MPI x OpenMP) : 24 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 24 Number of MKL threads : 24 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (O) from 1.8000 to 0.9906 Info(checkmt): changed muffin-tin radius of species 2 (H) from 1.4000 to 0.7704 Warning(linengy): could not find 1 linearisation energies in s.c. loop 1 Warning(gndstate): failed to reach self-consistency after 2 loops Warning(linengy): could not find 1 linearisation energies in s.c. loop 2 +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_011... [i-capture-the-hostname:24411] pmix_mca_base_component_repository_open: unable to open mca_gds_ds12: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) [i-capture-the-hostname:24411] pmix_mca_base_component_repository_open: unable to open mca_gds_ds21: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) +---------------------------------+ | Elk code version 9.2.12 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 24 Total number of threads (MPI x OpenMP) : 24 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 24 Number of MKL threads : 24 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Si) from 2.2000 to 2.1964 Info(findsymcrys): atomic basis shift (lattice) : 0.3750000000 0.3750000000 0.3750000000 See GEOMETRY.OUT for new atomic positions Warning(gndstate): failed to reach self-consistency after 2 loops +-----------------------+ | Current task : 5 | +-----------------------+ Info(genkmat): 2 of 2 k-points Info(genkmat): 1 of 2 k-points Info(hartfock): self-consistent loop number : 1 Info(eveqnhf): 1 of 2 k-points Info(eveqnhf): 2 of 2 k-points Info(hartfock): self-consistent loop number : 2 Info(eveqnhf): 1 of 2 k-points Info(eveqnhf): 2 of 2 k-points Info(exxengy): 2 of 2 k-points Info(exxengy): 1 of 2 k-points +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_013... [i-capture-the-hostname:31444] pmix_mca_base_component_repository_open: unable to open mca_gds_ds12: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) [i-capture-the-hostname:31444] pmix_mca_base_component_repository_open: unable to open mca_gds_ds21: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) +---------------------------------+ | Elk code version 9.2.12 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 24 Total number of threads (MPI x OpenMP) : 24 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 24 Number of MKL threads : 24 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Fe) from 2.4000 to 2.3828 Info(checkmt): changed muffin-tin radius of species 2 (Al) from 2.2000 to 2.1842 Warning(gndstate): failed to reach self-consistency after 4 loops +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_014... [i-capture-the-hostname:34436] pmix_mca_base_component_repository_open: unable to open mca_gds_ds12: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) [i-capture-the-hostname:34436] pmix_mca_base_component_repository_open: unable to open mca_gds_ds21: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) +---------------------------------+ | Elk code version 9.2.12 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 24 Total number of threads (MPI x OpenMP) : 24 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 24 Number of MKL threads : 24 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Si) from 2.2000 to 2.1964 Info(findsymcrys): atomic basis shift (lattice) : 0.3750000000 0.3750000000 0.3750000000 See GEOMETRY.OUT for new atomic positions Info(oepvcl): 1 of 8 k-points Info(oepvcl): 5 of 8 k-points Info(oepvcl): 6 of 8 k-points Info(oepvcl): 3 of 8 k-points Info(oepvcl): 4 of 8 k-points Info(oepvcl): 7 of 8 k-points Info(oepvcl): 2 of 8 k-points Info(oepvcl): 8 of 8 k-points Info(oepmain): done 10 iterations of 20 Info(oepmain): done 20 iterations of 20 Warning(gndstate): failed to reach self-consistency after 2 loops Info(oepvcl): 1 of 8 k-points Info(oepvcl): 3 of 8 k-points Info(oepvcl): 5 of 8 k-points Info(oepvcl): 2 of 8 k-points Info(oepvcl): 8 of 8 k-points Info(oepvcl): 7 of 8 k-points Info(oepvcl): 6 of 8 k-points Info(oepvcl): 4 of 8 k-points Info(oepmain): done 10 iterations of 20 Info(oepmain): done 20 iterations of 20 Info(exxengy): 2 of 8 k-points Info(exxengy): 4 of 8 k-points Info(exxengy): 1 of 8 k-points Info(exxengy): 7 of 8 k-points Info(exxengy): 5 of 8 k-points Info(exxengy): 3 of 8 k-points Info(exxengy): 8 of 8 k-points Info(exxengy): 6 of 8 k-points +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_018... [i-capture-the-hostname:105285] pmix_mca_base_component_repository_open: unable to open mca_gds_ds12: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) [i-capture-the-hostname:105285] pmix_mca_base_component_repository_open: unable to open mca_gds_ds21: perhaps a missing symbol, or compiled for a different version of OpenPMIx (ignored) +---------------------------------+ | Elk code version 9.2.12 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 24 Total number of threads (MPI x OpenMP) : 24 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 24 Number of MKL threads : 24 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ +-----------------------+ | Current task : 205 | +-----------------------+ Info(phonon): working on DYN_Q0000_0000_0000_S01_A001_P1.OUT Info(phonon): working on DYN_Q0102_0000_0000_S01_A001_P1.OUT Info(phonon): working on DYN_Q0102_0102_0102_S01_A001_P1.OUT Info(phonon): working on DYN_Q0000_0000_0000_S01_A001_P2.OUT Info(phonon): working on DYN_Q0102_0000_0000_S01_A001_P2.OUT Info(phonon): working on DYN_Q0102_0102_0102_S01_A001_P2.OUT Info(phonon): working on DYN_Q0000_0000_0000_S01_A001_P3.OUT Info(phonon): working on DYN_Q0102_0000_0000_S01_A001_P3.OUT Info(phonon): working on DYN_Q0102_0102_0102_S01_A001_P3.OUT Info(dyntask): nothing more to do +-----------------------+ | Current task : 210 | +-----------------------+ Info(phdos): phonon density of states written to PHDOS.OUT thermodynamic properties written to THERMO.OUT +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed for i in tests/test-*/test.log; do \ if [ -e $i ]; then \ echo "Error for test $i:"; \ sed -n -e '/^Error/,$p' $i; \ fi \ done make[1]: Leaving directory '/build/reproducible-path/elkcode-9.2.12' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary dh binary dh_testroot dh_prep dh_installdirs dh_auto_install --destdir=debian/elk-lapw/ debian/rules override_dh_install make[1]: Entering directory '/build/reproducible-path/elkcode-9.2.12' dh_install mv /build/reproducible-path/elkcode-9.2.12/debian/elk-lapw/usr/bin/xps_exc.pl \ /build/reproducible-path/elkcode-9.2.12/debian/elk-lapw/usr/bin/xps_exc mv /build/reproducible-path/elkcode-9.2.12/debian/elk-lapw/usr/bin/elk \ /build/reproducible-path/elkcode-9.2.12/debian/elk-lapw/usr/bin/elk-lapw #bug #720044 make[1]: Leaving directory '/build/reproducible-path/elkcode-9.2.12' dh_installdocs debian/rules override_dh_installchangelogs make[1]: Entering directory '/build/reproducible-path/elkcode-9.2.12' dh_installchangelogs release_notes.txt make[1]: Leaving directory '/build/reproducible-path/elkcode-9.2.12' dh_installexamples dh_installman dh_perl dh_link dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_dwz -a dwz: debian/elk-lapw/usr/bin/elk-lapw: DWARF compression not beneficial - old size 822513 new size 836017 dh_strip -a dh_makeshlibs -a dh_shlibdeps -a dh_installdeb dh_gencontrol dpkg-gencontrol: warning: package elk-lapw: substitution variable ${perl:Depends} unused, but is defined dpkg-gencontrol: warning: package elk-lapw: substitution variable ${perl:Depends} unused, but is defined dh_md5sums dh_builddeb dpkg-deb: building package 'elk-lapw-dbgsym' in '../elk-lapw-dbgsym_9.2.12-1_i386.deb'. dpkg-deb: building package 'elk-lapw' in '../elk-lapw_9.2.12-1_i386.deb'. dpkg-genbuildinfo --build=binary -O../elkcode_9.2.12-1_i386.buildinfo dpkg-genchanges --build=binary -O../elkcode_9.2.12-1_i386.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full source code in upload I: copying local configuration I: user script /srv/workspace/pbuilder/76416/tmp/hooks/B01_cleanup starting I: user script /srv/workspace/pbuilder/76416/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/76416 and its subdirectories I: Current time: Wed Jun 11 08:08:41 +14 2025 I: pbuilder-time-stamp: 1749578921