Diff of the two buildlogs: -- --- b1/build.log 2023-04-10 10:29:33.986576149 +0000 +++ b2/build.log 2023-04-10 10:49:04.571489697 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sun May 12 04:42:21 -12 2024 -I: pbuilder-time-stamp: 1715532141 +I: Current time: Tue Apr 11 00:29:38 +14 2023 +I: pbuilder-time-stamp: 1681122578 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/bookworm-reproducible-base.tgz] I: copying local configuration @@ -16,7 +16,7 @@ I: copying [./chemps2_1.8.12.orig.tar.gz] I: copying [./chemps2_1.8.12-1.debian.tar.xz] I: Extracting source -gpgv: Signature made Sun Jul 3 01:26:51 2022 -12 +gpgv: Signature made Mon Jul 4 03:26:51 2022 +14 gpgv: using RSA key 9CA877749FAB2E4FA96862ECDC686A27B43481B0 gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./chemps2_1.8.12-1.dsc: no acceptable signature found @@ -25,11 +25,20 @@ dpkg-source: info: unpacking chemps2_1.8.12-1.debian.tar.xz I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/23107/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/21664/tmp/hooks/D01_modify_environment starting +debug: Running on codethink16-arm64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +lrwxrwxrwx 1 root root 4 Jan 6 03:20 /bin/sh -> dash +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/21664/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/21664/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME='pbuilder2' BUILD_ARCH='arm64' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=8' @@ -39,38 +48,38 @@ IFS=' ' LANG='C' - LANGUAGE='en_US:en' + LANGUAGE='nl_BE:nl' LC_ALL='C' MAIL='/var/mail/root' OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' + 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' - PPID='23107' + PPID='21664' PS1='# ' PS2='> ' PS4='+ ' PWD='/' SHELL='/bin/bash' SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.jfUWfnJZ/pbuilderrc_xRNG --distribution bookworm --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bookworm-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.jfUWfnJZ/b1 --logfile b1/build.log chemps2_1.8.12-1.dsc' + 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.jfUWfnJZ/pbuilderrc_7AeZ --distribution bookworm --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bookworm-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.jfUWfnJZ/b2 --logfile b2/build.log --extrapackages usrmerge chemps2_1.8.12-1.dsc' SUDO_GID='117' SUDO_UID='110' SUDO_USER='jenkins' TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' + TZ='/usr/share/zoneinfo/Etc/GMT-14' USER='root' USERNAME='root' _='/usr/bin/systemd-run' http_proxy='http://192.168.101.16:3128' I: uname -a - Linux codethink15-arm64 4.15.0-208-generic #220-Ubuntu SMP Mon Mar 20 14:28:12 UTC 2023 aarch64 GNU/Linux + Linux i-capture-the-hostname 4.15.0-208-generic #220-Ubuntu SMP Mon Mar 20 14:28:12 UTC 2023 aarch64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 May 9 04:47 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/23107/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Apr 9 00:25 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/21664/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -260,7 +269,7 @@ Get: 122 http://deb.debian.org/debian bookworm/main arm64 python3-snowballstemmer all 2.2.0-2 [57.8 kB] Get: 123 http://deb.debian.org/debian bookworm/main arm64 sphinx-common all 5.3.0-4 [653 kB] Get: 124 http://deb.debian.org/debian bookworm/main arm64 python3-sphinx all 5.3.0-4 [549 kB] -Fetched 81.4 MB in 1s (54.6 MB/s) +Fetched 81.4 MB in 2s (47.9 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.11-minimal:arm64. (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 ... 19616 files and directories currently installed.) @@ -790,10 +799,15 @@ Reading package lists... Building dependency tree... Reading state information... +usrmerge is already the newest version (35). fakeroot is already the newest version (1.31-1.2). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/chemps2-1.8.12/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../chemps2_1.8.12-1_source.changes +I: user script /srv/workspace/pbuilder/21664/tmp/hooks/A99_set_merged_usr starting +Re-configuring usrmerge... +I: user script /srv/workspace/pbuilder/21664/tmp/hooks/A99_set_merged_usr finished +hostname: Temporary failure in name resolution +I: Running cd /build/chemps2-1.8.12/ && 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 > ../chemps2_1.8.12-1_source.changes dpkg-buildpackage: info: source package chemps2 dpkg-buildpackage: info: source version 1.8.12-1 dpkg-buildpackage: info: source distribution unstable @@ -874,22 +888,22 @@ make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-base.dir/build.make CheMPS2/CMakeFiles/chemps2-base.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASPT2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -c /build/chemps2-1.8.12/CheMPS2/CASPT2.cpp -[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o +[ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCF.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -c /build/chemps2-1.8.12/CheMPS2/CASSCF.cpp +[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o +[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASPT2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -c /build/chemps2-1.8.12/CheMPS2/CASPT2.cpp [ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -c /build/chemps2-1.8.12/CheMPS2/CASSCFdebug.cpp -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -MF CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -c /build/chemps2-1.8.12/CheMPS2/ConjugateGradient.cpp -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o -MF CMakeFiles/chemps2-base.dir/Correlations.cpp.o.d -o CMakeFiles/chemps2-base.dir/Correlations.cpp.o -c /build/chemps2-1.8.12/CheMPS2/Correlations.cpp +[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -c /build/chemps2-1.8.12/CheMPS2/CASSCFnewtonraphson.cpp -[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -MF CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -c /build/chemps2-1.8.12/CheMPS2/ConvergenceScheme.cpp +[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -MF CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -c /build/chemps2-1.8.12/CheMPS2/ConjugateGradient.cpp cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -c /build/chemps2-1.8.12/CheMPS2/CASSCFpt2.cpp +[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o +[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -MF CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -c /build/chemps2-1.8.12/CheMPS2/ConvergenceScheme.cpp +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o -MF CMakeFiles/chemps2-base.dir/Correlations.cpp.o.d -o CMakeFiles/chemps2-base.dir/Correlations.cpp.o -c /build/chemps2-1.8.12/CheMPS2/Correlations.cpp [ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -MF CMakeFiles/chemps2-base.dir/Cumulant.cpp.o.d -o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -c /build/chemps2-1.8.12/CheMPS2/Cumulant.cpp [ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o @@ -911,8 +925,8 @@ [ 19%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o -c /build/chemps2-1.8.12/CheMPS2/DMRGSCFintegrals.cpp [ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o -[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o -c /build/chemps2-1.8.12/CheMPS2/DMRGSCFmatrix.cpp +[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o -c /build/chemps2-1.8.12/CheMPS2/DMRGSCFoptions.cpp [ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -c /build/chemps2-1.8.12/CheMPS2/DMRGSCFrotations.cpp @@ -990,28 +1004,28 @@ cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o -MF CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o -c /build/chemps2-1.8.12/CheMPS2/ThreeDM.cpp [ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -MF CMakeFiles/chemps2-base.dir/TwoDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -c /build/chemps2-1.8.12/CheMPS2/TwoDM.cpp -[ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -MF CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o.d -o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -c /build/chemps2-1.8.12/CheMPS2/TwoIndex.cpp -[ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o +[ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o +[ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o -MF CMakeFiles/chemps2-base.dir/Wigner.cpp.o.d -o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -c /build/chemps2-1.8.12/CheMPS2/Wigner.cpp +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -MF CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o.d -o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -c /build/chemps2-1.8.12/CheMPS2/TwoIndex.cpp make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' [ 65%] Built target chemps2-base make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/depend -make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/CheMPS2 /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake --color= +make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/CheMPS2 /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake --color= +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/CheMPS2 /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/build +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 67%] Linking CXX shared library libchemps2.so +[ 66%] Linking CXX shared library libchemps2.so +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-shared.dir/link.txt --verbose=1 [ 67%] Linking CXX static library libchemps2.a cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/cmake -P CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-shared.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libchemps2.so.3 -o libchemps2.so.3 "CMakeFiles/chemps2-base.dir/CASPT2.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCF.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o" "CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o" "CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o" "CMakeFiles/chemps2-base.dir/Correlations.cpp.o" "CMakeFiles/chemps2-base.dir/Cumulant.cpp.o" "CMakeFiles/chemps2-base.dir/Davidson.cpp.o" "CMakeFiles/chemps2-base.dir/DIIS.cpp.o" "CMakeFiles/chemps2-base.dir/DMRG.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o" "CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o" "CMakeFiles/chemps2-base.dir/Excitation.cpp.o" "CMakeFiles/chemps2-base.dir/FCI.cpp.o" "CMakeFiles/chemps2-base.dir/FourIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o" "CMakeFiles/chemps2-base.dir/Heff.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o" "CMakeFiles/chemps2-base.dir/Initialize.cpp.o" "CMakeFiles/chemps2-base.dir/Irreps.cpp.o" "CMakeFiles/chemps2-base.dir/Molden.cpp.o" "CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o" "CMakeFiles/chemps2-base.dir/Problem.cpp.o" "CMakeFiles/chemps2-base.dir/Sobject.cpp.o" "CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o" "CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorKM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorL.cpp.o" "CMakeFiles/chemps2-base.dir/TensorO.cpp.o" "CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o" "CMakeFiles/chemps2-base.dir/TensorQ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorT.cpp.o" "CMakeFiles/chemps2-base.dir/TensorX.cpp.o" "CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Wigner.cpp.o" -Wl,-rpath,/usr/lib/aarch64-linux-gnu/hdf5/serial: -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-static.dir/link.txt --verbose=1 /usr/bin/ar qc libchemps2.a "CMakeFiles/chemps2-base.dir/CASPT2.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCF.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o" "CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o" "CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o" "CMakeFiles/chemps2-base.dir/Correlations.cpp.o" "CMakeFiles/chemps2-base.dir/Cumulant.cpp.o" "CMakeFiles/chemps2-base.dir/Davidson.cpp.o" "CMakeFiles/chemps2-base.dir/DIIS.cpp.o" "CMakeFiles/chemps2-base.dir/DMRG.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o" "CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o" "CMakeFiles/chemps2-base.dir/Excitation.cpp.o" "CMakeFiles/chemps2-base.dir/FCI.cpp.o" "CMakeFiles/chemps2-base.dir/FourIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o" "CMakeFiles/chemps2-base.dir/Heff.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o" "CMakeFiles/chemps2-base.dir/Initialize.cpp.o" "CMakeFiles/chemps2-base.dir/Irreps.cpp.o" "CMakeFiles/chemps2-base.dir/Molden.cpp.o" "CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o" "CMakeFiles/chemps2-base.dir/Problem.cpp.o" "CMakeFiles/chemps2-base.dir/Sobject.cpp.o" "CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o" "CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorKM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorL.cpp.o" "CMakeFiles/chemps2-base.dir/TensorO.cpp.o" "CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o" "CMakeFiles/chemps2-base.dir/TensorQ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorT.cpp.o" "CMakeFiles/chemps2-base.dir/TensorX.cpp.o" "CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Wigner.cpp.o" @@ -1024,198 +1038,198 @@ make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' [ 67%] Built target chemps2-shared make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/depend -make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/depend -make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/depend -make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/depend -make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/CheMPS2 /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake --color= +make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/depend +make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test2.dir/DependInfo.cmake --color= +make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/depend +make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake --color= +make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake --color= -make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/depend -make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake --color= +make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake --color= make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/depend make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake --color= -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/build +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/build +[ 68%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/build +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -MF CMakeFiles/chemps2-bin.dir/executable.cpp.o.d -o CMakeFiles/chemps2-bin.dir/executable.cpp.o -c /build/chemps2-1.8.12/CheMPS2/executable.cpp make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build +make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build -make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build +[ 69%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 68%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o -[ 69%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test2.dir/tests/test2.cpp.o -MF CMakeFiles/test2.dir/tests/test2.cpp.o.d -o CMakeFiles/test2.dir/tests/test2.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test2.cpp -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test4.dir/tests/test4.cpp.o -MF CMakeFiles/test4.dir/tests/test4.cpp.o.d -o CMakeFiles/test4.dir/tests/test4.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test4.cpp -[ 70%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -MF CMakeFiles/chemps2-bin.dir/executable.cpp.o.d -o CMakeFiles/chemps2-bin.dir/executable.cpp.o -c /build/chemps2-1.8.12/CheMPS2/executable.cpp -[ 71%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test6.dir/tests/test6.cpp.o -MF CMakeFiles/test6.dir/tests/test6.cpp.o.d -o CMakeFiles/test6.dir/tests/test6.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test6.cpp -[ 72%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o -[ 73%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test5.dir/tests/test5.cpp.o -MF CMakeFiles/test5.dir/tests/test5.cpp.o.d -o CMakeFiles/test5.dir/tests/test5.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test5.cpp -[ 75%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test7.dir/tests/test7.cpp.o -MF CMakeFiles/test7.dir/tests/test7.cpp.o.d -o CMakeFiles/test7.dir/tests/test7.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test7.cpp +[ 70%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o +[ 71%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test1.dir/tests/test1.cpp.o -MF CMakeFiles/test1.dir/tests/test1.cpp.o.d -o CMakeFiles/test1.dir/tests/test1.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test1.cpp -[ 76%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test4.dir/tests/test4.cpp.o -MF CMakeFiles/test4.dir/tests/test4.cpp.o.d -o CMakeFiles/test4.dir/tests/test4.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test4.cpp +[ 72%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o +[ 73%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test3.dir/tests/test3.cpp.o -MF CMakeFiles/test3.dir/tests/test3.cpp.o.d -o CMakeFiles/test3.dir/tests/test3.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test3.cpp -[ 77%] Linking CXX executable test4 -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test4.dir/link.txt --verbose=1 -[ 78%] Linking CXX executable test2 -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test2.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test4.dir/tests/test4.cpp.o -o test4 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test2.dir/tests/test2.cpp.o -o test2 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 79%] Linking CXX executable test6 -[ 80%] Linking CXX executable test5 -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test5.dir/link.txt --verbose=1 +[ 75%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o +[ 76%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test7.dir/tests/test7.cpp.o -MF CMakeFiles/test7.dir/tests/test7.cpp.o.d -o CMakeFiles/test7.dir/tests/test7.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test7.cpp +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test5.dir/tests/test5.cpp.o -MF CMakeFiles/test5.dir/tests/test5.cpp.o.d -o CMakeFiles/test5.dir/tests/test5.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test5.cpp +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test2.dir/tests/test2.cpp.o -MF CMakeFiles/test2.dir/tests/test2.cpp.o.d -o CMakeFiles/test2.dir/tests/test2.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test2.cpp +[ 77%] Linking CXX executable test6 cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test6.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test6.dir/tests/test6.cpp.o -o test6 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[ 78%] Linking CXX executable test5 +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test5.dir/link.txt --verbose=1 +[ 79%] Linking CXX executable test7 +[ 80%] Linking CXX executable test1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test5.dir/tests/test5.cpp.o -o test5 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 81%] Linking CXX executable test3 -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3.dir/link.txt --verbose=1 -[ 82%] Linking CXX executable test7 cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test7.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test3.dir/tests/test3.cpp.o -o test3 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 83%] Linking CXX executable test1 cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test1.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[ 81%] Linking CXX executable test3 +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3.dir/link.txt --verbose=1 +[ 82%] Linking CXX executable test4 +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test4.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test3.dir/tests/test3.cpp.o -o test3 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test4.dir/tests/test4.cpp.o -o test4 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[ 83%] Linking CXX executable test2 +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test2.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test2.dir/tests/test2.cpp.o -o test2 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 83%] Built target test4 +[ 83%] Built target test6 make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 85%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o -[ 84%] Linking CXX executable chemps2 -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-bin.dir/link.txt --verbose=1 +[ 84%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test8.dir/tests/test8.cpp.o -MF CMakeFiles/test8.dir/tests/test8.cpp.o.d -o CMakeFiles/test8.dir/tests/test8.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test8.cpp -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic "CMakeFiles/chemps2-bin.dir/executable.cpp.o" -o chemps2 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial: libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 85%] Built target test5 +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +[ 84%] Built target test5 make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake --color= -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/build -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 86%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test9.dir/tests/test9.cpp.o -MF CMakeFiles/test9.dir/tests/test9.cpp.o.d -o CMakeFiles/test9.dir/tests/test9.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test9.cpp -[ 86%] Built target test2 +[ 84%] Built target test4 make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/build -make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 88%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test10.dir/tests/test10.cpp.o -MF CMakeFiles/test10.dir/tests/test10.cpp.o.d -o CMakeFiles/test10.dir/tests/test10.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test10.cpp make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/build +make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 88%] Built target test7 +make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/build +make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +[ 84%] Built target test3 +[ 85%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test11.dir/DependInfo.cmake --color= -[ 88%] Built target test6 +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test9.dir/tests/test9.cpp.o -MF CMakeFiles/test9.dir/tests/test9.cpp.o.d -o CMakeFiles/test9.dir/tests/test9.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test9.cpp +[ 86%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test10.dir/tests/test10.cpp.o -MF CMakeFiles/test10.dir/tests/test10.cpp.o.d -o CMakeFiles/test10.dir/tests/test10.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test10.cpp +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/build +make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +[ 86%] Built target test7 make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake --color= -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/build +[ 88%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test11.dir/tests/test11.cpp.o -MF CMakeFiles/test11.dir/tests/test11.cpp.o.d -o CMakeFiles/test11.dir/tests/test11.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test11.cpp make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 89%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test11.dir/tests/test11.cpp.o -MF CMakeFiles/test11.dir/tests/test11.cpp.o.d -o CMakeFiles/test11.dir/tests/test11.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test11.cpp -[ 90%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o +[ 89%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test12.dir/tests/test12.cpp.o -MF CMakeFiles/test12.dir/tests/test12.cpp.o.d -o CMakeFiles/test12.dir/tests/test12.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test12.cpp make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 90%] Built target test3 +[ 89%] Built target test1 make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/depend -[ 90%] Built target test1 make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake --color= +[ 89%] Built target test2 make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/depend make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.12 /build/chemps2-1.8.12/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/build make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 91%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o +[ 90%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test13.dir/tests/test13.cpp.o -MF CMakeFiles/test13.dir/tests/test13.cpp.o.d -o CMakeFiles/test13.dir/tests/test13.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test13.cpp -[ 92%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o +[ 91%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test14.dir/tests/test14.cpp.o -MF CMakeFiles/test14.dir/tests/test14.cpp.o.d -o CMakeFiles/test14.dir/tests/test14.cpp.o -c /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test14.cpp +[ 92%] Linking CXX executable chemps2 +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-bin.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic "CMakeFiles/chemps2-bin.dir/executable.cpp.o" -o chemps2 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial: libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm [ 93%] Linking CXX executable test8 cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test8.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test8.dir/tests/test8.cpp.o -o test8 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 94%] Linking CXX executable test10 -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test10.dir/link.txt --verbose=1 +[ 94%] Linking CXX executable test9 +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test9.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test9.dir/tests/test9.cpp.o -o test9 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm [ 95%] Linking CXX executable test12 cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test12.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test12.dir/tests/test12.cpp.o -o test12 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 95%] Built target test8 -[ 96%] Linking CXX executable test14 +[ 96%] Linking CXX executable test10 +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test10.dir/link.txt --verbose=1 +[ 97%] Linking CXX executable test11 +cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test11.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test11.dir/tests/test11.cpp.o -o test11 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[ 98%] Linking CXX executable test14 cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test14.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test14.dir/tests/test14.cpp.o -o test14 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 97%] Linking CXX executable test9 -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test9.dir/link.txt --verbose=1 -[ 98%] Linking CXX executable test13 +[100%] Linking CXX executable test13 cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test13.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test9.dir/tests/test9.cpp.o -o test9 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test13.dir/tests/test13.cpp.o -o test13 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 98%] Built target test12 -[100%] Linking CXX executable test11 -cd /build/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test11.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test11.dir/tests/test11.cpp.o -o test11 -Wl,-rpath,/build/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[100%] Built target test8 make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[100%] Built target test10 make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[100%] Built target test14 +[100%] Built target test12 +[100%] Built target test9 +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +[100%] Built target test11 make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' [100%] Built target test13 make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[100%] Built target test9 +[100%] Built target test10 make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[100%] Built target test11 +[100%] Built target test14 make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' [100%] Built target chemps2-bin make[3]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' @@ -1307,15 +1321,15 @@ cd obj-aarch64-linux-gnu/ && ctest -R "^test3|^test5|^test8" Test project /build/chemps2-1.8.12/obj-aarch64-linux-gnu Start 3: test3 -1/3 Test #3: test3 ............................ Passed 18.19 sec +1/3 Test #3: test3 ............................ Passed 49.52 sec Start 5: test5 -2/3 Test #5: test5 ............................ Passed 14.68 sec +2/3 Test #5: test5 ............................ Passed 16.77 sec Start 8: test8 -3/3 Test #8: test8 ............................ Passed 46.45 sec +3/3 Test #8: test8 ............................ Passed 49.89 sec 100% tests passed, 0 tests failed out of 3 -Total Test time (real) = 79.33 sec +Total Test time (real) = 116.18 sec cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-aarch64-cpython-311:.. \ LD_LIBRARY_PATH=../../obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial \ python3 test1.py @@ -1340,115 +1354,115 @@ 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 10 -Energy at sites (8, 9) is -105.61844448189 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (7, 8) is -106.852568531977 - Stats: nIt(DAVIDSON) = 83 -Energy at sites (6, 7) is -106.899121052261 - Stats: nIt(DAVIDSON) = 50 -Energy at sites (5, 6) is -106.907710561788 - Stats: nIt(DAVIDSON) = 46 -Energy at sites (4, 5) is -107.63004969377 +Energy at sites (8, 9) is -99.7114074989158 + Stats: nIt(DAVIDSON) = 20 +Energy at sites (7, 8) is -106.85294623462 + Stats: nIt(DAVIDSON) = 59 +Energy at sites (6, 7) is -106.87595977451 + Stats: nIt(DAVIDSON) = 64 +Energy at sites (5, 6) is -106.905696954436 + Stats: nIt(DAVIDSON) = 43 +Energy at sites (4, 5) is -107.631029889486 Stats: nIt(DAVIDSON) = 28 -Energy at sites (3, 4) is -107.648011312492 +Energy at sites (3, 4) is -107.648024367994 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648011312492 +Energy at sites (2, 3) is -107.648024367994 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648011312492 +Energy at sites (1, 2) is -107.648024367994 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 1.101266 seconds -*** |--> S.join = 0.009212 seconds -*** |--> S.solve = 0.978313 seconds -*** |--> S.split = 0.013924 seconds -*** |--> Tensor update = 0.099424 seconds -*** |--> create = 0.024444 seconds -*** |--> destroy = 0.001958 seconds -*** |--> disk write = 0.024374 seconds -*** |--> disk read = 0.021036 seconds -*** |--> calc = 0.027537 seconds -*** Disk write bandwidth = 24.0403868131449 MB/s -*** Disk read bandwidth = 27.9494215041699 MB/s -*** Minimum energy = -107.648011312492 +*** Elapsed wall time = 3.079592 seconds +*** |--> S.join = 0.034261 seconds +*** |--> S.solve = 2.798591 seconds +*** |--> S.split = 0.061896 seconds +*** |--> Tensor update = 0.184257 seconds +*** |--> create = 0.026096 seconds +*** |--> destroy = 0.007419 seconds +*** |--> disk write = 0.026452 seconds +*** |--> disk read = 0.024074 seconds +*** |--> calc = 0.100109 seconds +*** Disk write bandwidth = 22.1518368434747 MB/s +*** Disk read bandwidth = 24.4223656543042 MB/s +*** Minimum energy = -107.648024367994 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.648011312492 +Energy at sites (0, 1) is -107.648024367994 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648011312492 +Energy at sites (1, 2) is -107.648024367994 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648011312492 +Energy at sites (2, 3) is -107.648024367994 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648011312492 +Energy at sites (3, 4) is -107.648024367994 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (4, 5) is -107.648046514853 Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -107.648036881614 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.648250515089 +Energy at sites (5, 6) is -107.648250585384 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250515089 +Energy at sites (6, 7) is -107.648250585384 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250515089 +Energy at sites (7, 8) is -107.648250585384 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.231564 seconds -*** |--> S.join = 0.006345 seconds -*** |--> S.solve = 0.115092 seconds -*** |--> S.split = 0.013974 seconds -*** |--> Tensor update = 0.095817 seconds -*** |--> create = 0.024545 seconds -*** |--> destroy = 0.001965 seconds -*** |--> disk write = 0.023228 seconds -*** |--> disk read = 0.020725 seconds -*** |--> calc = 0.025285 seconds -*** Disk write bandwidth = 25.3118663148665 MB/s -*** Disk read bandwidth = 28.2731188508369 MB/s -*** Minimum energy = -107.648250515089 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.648250515089 +*** Elapsed wall time = 0.633688 seconds +*** |--> S.join = 0.037769 seconds +*** |--> S.solve = 0.359158 seconds +*** |--> S.split = 0.059459 seconds +*** |--> Tensor update = 0.176777 seconds +*** |--> create = 0.026694 seconds +*** |--> destroy = 0.002611 seconds +*** |--> disk write = 0.033613 seconds +*** |--> disk read = 0.026617 seconds +*** |--> calc = 0.087136 seconds +*** Disk write bandwidth = 17.4915666784196 MB/s +*** Disk read bandwidth = 22.0145165940412 MB/s +*** Minimum energy = -107.648250585384 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.648250585384 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.648250515089 +Energy at sites (8, 9) is -107.648250585384 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250515089 +Energy at sites (7, 8) is -107.648250585384 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250515089 +Energy at sites (6, 7) is -107.648250585384 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.648250515088 +Energy at sites (5, 6) is -107.648250585384 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.648250892302 +Energy at sites (4, 5) is -107.648250878326 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.648250972502 +Energy at sites (3, 4) is -107.64825097258 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250972502 +Energy at sites (2, 3) is -107.64825097258 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250972502 +Energy at sites (1, 2) is -107.64825097258 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.208312 seconds -*** |--> S.join = 0.006338 seconds -*** |--> S.solve = 0.077365 seconds -*** |--> S.split = 0.013861 seconds -*** |--> Tensor update = 0.110383 seconds -*** |--> create = 0.024363 seconds -*** |--> destroy = 0.002066 seconds -*** |--> disk write = 0.022723 seconds -*** |--> disk read = 0.019596 seconds -*** |--> calc = 0.041555 seconds -*** Disk write bandwidth = 25.7871050558286 MB/s -*** Disk read bandwidth = 30.0032675424433 MB/s -*** Minimum energy = -107.648250972502 +*** Elapsed wall time = 0.362856 seconds +*** |--> S.join = 0.012471 seconds +*** |--> S.solve = 0.14548 seconds +*** |--> S.split = 0.036532 seconds +*** |--> Tensor update = 0.167907 seconds +*** |--> create = 0.031114 seconds +*** |--> destroy = 0.002499 seconds +*** |--> disk write = 0.028889 seconds +*** |--> disk read = 0.02994 seconds +*** |--> calc = 0.075358 seconds +*** Disk write bandwidth = 20.2831661941775 MB/s +*** Disk read bandwidth = 19.6374091770781 MB/s +*** Minimum energy = -107.64825097258 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.648250972502 +Energy at sites (0, 1) is -107.64825097258 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250972502 +Energy at sites (1, 2) is -107.64825097258 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250972502 +Energy at sites (2, 3) is -107.64825097258 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648250972501 +Energy at sites (3, 4) is -107.64825097258 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.648250972576 +Energy at sites (4, 5) is -107.648250972652 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.648250973999 Stats: nIt(DAVIDSON) = 1 @@ -1457,21 +1471,21 @@ Energy at sites (7, 8) is -107.648250973999 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.168994 seconds -*** |--> S.join = 0.005982 seconds -*** |--> S.solve = 0.057195 seconds -*** |--> S.split = 0.013252 seconds -*** |--> Tensor update = 0.092214 seconds -*** |--> create = 0.024436 seconds -*** |--> destroy = 0.002102 seconds -*** |--> disk write = 0.022084 seconds -*** |--> disk read = 0.01955 seconds -*** |--> calc = 0.023969 seconds -*** Disk write bandwidth = 26.6230769227368 MB/s -*** Disk read bandwidth = 29.9723983725623 MB/s +*** Elapsed wall time = 0.357397 seconds +*** |--> S.join = 0.013482 seconds +*** |--> S.solve = 0.144769 seconds +*** |--> S.split = 0.042741 seconds +*** |--> Tensor update = 0.155882 seconds +*** |--> create = 0.0263 seconds +*** |--> destroy = 0.002578 seconds +*** |--> disk write = 0.026902 seconds +*** |--> disk read = 0.036095 seconds +*** |--> calc = 0.063904 seconds +*** Disk write bandwidth = 21.8550305093197 MB/s +*** Disk read bandwidth = 16.2338381544146 MB/s *** Minimum energy = -107.648250973999 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 4.5891056288383e-07 +*** Energy difference with respect to previous leftright sweep = 3.88614438406876e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 @@ -1485,67 +1499,67 @@ Stats: nIt(DAVIDSON) = 8 Energy at sites (7, 8) is -107.648250974 Stats: nIt(DAVIDSON) = 10 -Energy at sites (6, 7) is -107.648250974002 +Energy at sites (6, 7) is -107.648250974001 Stats: nIt(DAVIDSON) = 9 -Energy at sites (5, 6) is -107.648250974002 +Energy at sites (5, 6) is -107.648250974001 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.648250974007 +Energy at sites (4, 5) is -107.648250974005 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250974013 +Energy at sites (1, 2) is -107.648250974014 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.344839 seconds -*** |--> S.join = 0.005725 seconds -*** |--> S.solve = 0.226634 seconds -*** |--> S.split = 0.014023 seconds -*** |--> Tensor update = 0.098091 seconds -*** |--> create = 0.024572 seconds -*** |--> destroy = 0.00199 seconds -*** |--> disk write = 0.022962 seconds -*** |--> disk read = 0.020433 seconds -*** |--> calc = 0.02806 seconds -*** Disk write bandwidth = 25.5186999470252 MB/s -*** Disk read bandwidth = 28.7742392581471 MB/s -*** Minimum energy = -107.648250974013 +*** Elapsed wall time = 0.852798 seconds +*** |--> S.join = 0.025477 seconds +*** |--> S.solve = 0.613716 seconds +*** |--> S.split = 0.047014 seconds +*** |--> Tensor update = 0.165952 seconds +*** |--> create = 0.026205 seconds +*** |--> destroy = 0.002521 seconds +*** |--> disk write = 0.028437 seconds +*** |--> disk read = 0.028413 seconds +*** |--> calc = 0.080267 seconds +*** Disk write bandwidth = 20.6055627592079 MB/s +*** Disk read bandwidth = 20.6927825559328 MB/s +*** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250974013 +Energy at sites (1, 2) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250974013 +Energy at sites (2, 3) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648250974013 +Energy at sites (3, 4) is -107.648250974014 Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.648250974014 +Energy at sites (4, 5) is -107.648250974013 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250974014 +Energy at sites (6, 7) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250974013 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.252221 seconds -*** |--> S.join = 0.006829 seconds -*** |--> S.solve = 0.125969 seconds -*** |--> S.split = 0.015039 seconds -*** |--> Tensor update = 0.104028 seconds -*** |--> create = 0.024746 seconds -*** |--> destroy = 0.002144 seconds -*** |--> disk write = 0.024388 seconds -*** |--> disk read = 0.021492 seconds -*** |--> calc = 0.031179 seconds -*** Disk write bandwidth = 24.107923190164 MB/s -*** Disk read bandwidth = 27.2641163308949 MB/s +*** Elapsed wall time = 0.646287 seconds +*** |--> S.join = 0.022989 seconds +*** |--> S.solve = 0.37249 seconds +*** |--> S.split = 0.074722 seconds +*** |--> Tensor update = 0.175506 seconds +*** |--> create = 0.026387 seconds +*** |--> destroy = 0.006658 seconds +*** |--> disk write = 0.027746 seconds +*** |--> disk read = 0.0348 seconds +*** |--> calc = 0.079796 seconds +*** Disk write bandwidth = 21.1902267267973 MB/s +*** Disk read bandwidth = 16.8379421891837 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.406874616805e-11 +*** Energy difference with respect to previous leftright sweep = 1.48077106132405e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -1560,53 +1574,53 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974013 - NOON of irrep Ag = [ 1.99999530444267 , 1.99487994125443 , 1.98267954073569 ]. - NOON of irrep B2g = [ 0.0748715525255837 ]. - NOON of irrep B3g = [ 0.07487155212386 ]. - NOON of irrep B1u = [ 1.99999681839219 , 1.98658242707947 , 0.0188079712239259 ]. - NOON of irrep B2u = [ 1.93365744608385 ]. - NOON of irrep B3u = [ 1.93365744613831 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009429978854 , 0.0515866781594394 , 0.0764971080653338 , 0.257716819292299 , 0.257716818687992 , 8.4715530127856e-05 , 0.0462800405455823 , 0.100736303379665 , 0.241506019871879 , 0.241506019631996 ]. - Idistance(0) = 1.30939331221274 - Idistance(1) = 5.42402999403922 - Idistance(2) = 26.7355488001698 + NOON of irrep Ag = [ 1.99999530444265 , 1.99487994125074 , 1.98267954072786 ]. + NOON of irrep B2g = [ 0.0748715524187086 ]. + NOON of irrep B3g = [ 0.0748715522166148 ]. + NOON of irrep B1u = [ 1.99999681839218 , 1.98658242707799 , 0.0188079712151471 ]. + NOON of irrep B2u = [ 1.93365744608228 ]. + NOON of irrep B3u = [ 1.93365744617581 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009429954532 , 0.0515866781856084 , 0.0764971081380248 , 0.257716819121277 , 0.257716818819276 , 8.47155301326718e-05 , 0.0462800405520815 , 0.100736303359423 , 0.241506019836232 , 0.241506019584421 ]. + Idistance(0) = 1.30939331234606 + Idistance(1) = 5.42402999490266 + Idistance(2) = 26.7355488024556 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.308348 seconds -*** |--> MPS gauge change = 0.035337 seconds -*** |--> Diagram calc = 0.018862 seconds -*** |--> Tensor update = 0.252654 seconds -*** |--> create = 0.056756 seconds -*** |--> destroy = 0.005402 seconds -*** |--> disk write = 0.054247 seconds -*** |--> disk read = 0.048174 seconds -*** |--> calc = 0.087775 seconds -*** Disk write bandwidth = 21.9482745913657 MB/s -*** Disk read bandwidth = 24.7151586282603 MB/s +*** Elapsed wall time = 0.570368 seconds +*** |--> MPS gauge change = 0.1071 seconds +*** |--> Diagram calc = 0.045698 seconds +*** |--> Tensor update = 0.415963 seconds +*** |--> create = 0.0767900000000001 seconds +*** |--> destroy = 0.008104 seconds +*** |--> disk write = 0.066754 seconds +*** |--> disk read = 0.068817 seconds +*** |--> calc = 0.195079 seconds +*** Disk write bandwidth = 17.8360555436051 MB/s +*** Disk read bandwidth = 17.3013652405338 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1824 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.0625 MB memory. -FCI::matvec : Wall time = 1.284475 seconds -FCI::matvec : Wall time = 1.365256 seconds -FCI::matvec : Wall time = 1.196942 seconds -FCI::matvec : Wall time = 1.165294 seconds -FCI::matvec : Wall time = 1.180942 seconds -FCI::matvec : Wall time = 1.326745 seconds -FCI::matvec : Wall time = 1.343551 seconds -FCI::matvec : Wall time = 1.261094 seconds -FCI::matvec : Wall time = 1.264783 seconds -FCI::matvec : Wall time = 1.21717 seconds -FCI::matvec : Wall time = 1.177429 seconds -FCI::matvec : Wall time = 1.259447 seconds -FCI::matvec : Wall time = 1.426306 seconds -FCI::matvec : Wall time = 1.232356 seconds -FCI::matvec : Wall time = 1.412757 seconds -FCI::matvec : Wall time = 1.633441 seconds -FCI::matvec : Wall time = 1.297009 seconds -FCI::matvec : Wall time = 1.406806 seconds +FCI::matvec : Wall time = 4.653346 seconds +FCI::matvec : Wall time = 4.425949 seconds +FCI::matvec : Wall time = 4.815377 seconds +FCI::matvec : Wall time = 4.379064 seconds +FCI::matvec : Wall time = 4.59996 seconds +FCI::matvec : Wall time = 4.535482 seconds +FCI::matvec : Wall time = 4.327163 seconds +FCI::matvec : Wall time = 3.858366 seconds +FCI::matvec : Wall time = 4.328433 seconds +FCI::matvec : Wall time = 4.140622 seconds +FCI::matvec : Wall time = 4.713941 seconds +FCI::matvec : Wall time = 4.591953 seconds +FCI::matvec : Wall time = 4.769392 seconds +FCI::matvec : Wall time = 4.014608 seconds +FCI::matvec : Wall time = 4.300758 seconds +FCI::matvec : Wall time = 4.494284 seconds +FCI::matvec : Wall time = 4.553852 seconds +FCI::matvec : Wall time = 4.895559 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974013 -FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = 8.1001046157603e-19 and intended S(S+1) = 0 +FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = 8.10010461563409e-19 and intended S(S+1) = 0 Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry @@ -1626,177 +1640,177 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 10 -Energy at sites (8, 9) is -102.145350708221 - Stats: nIt(DAVIDSON) = 43 -Energy at sites (7, 8) is -106.340619156604 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (8, 9) is -103.337304144547 Stats: nIt(DAVIDSON) = 42 -Energy at sites (6, 7) is -106.466352514054 - Stats: nIt(DAVIDSON) = 63 -Energy at sites (5, 6) is -107.318665989134 +Energy at sites (7, 8) is -106.321895698521 + Stats: nIt(DAVIDSON) = 39 +Energy at sites (6, 7) is -106.478221854147 + Stats: nIt(DAVIDSON) = 58 +Energy at sites (5, 6) is -107.318156884772 Stats: nIt(DAVIDSON) = 46 -Energy at sites (4, 5) is -107.32562972496 +Energy at sites (4, 5) is -107.325629480855 Stats: nIt(DAVIDSON) = 21 -Energy at sites (3, 4) is -107.328764198768 +Energy at sites (3, 4) is -107.328763302211 Stats: nIt(DAVIDSON) = 10 -Energy at sites (2, 3) is -107.328765312059 +Energy at sites (2, 3) is -107.328765032482 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328765312059 +Energy at sites (1, 2) is -107.328765032482 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 1.657009 seconds -*** |--> S.join = 0.008243 seconds -*** |--> S.solve = 1.521298 seconds -*** |--> S.split = 0.020104 seconds -*** |--> Tensor update = 0.106966 seconds -*** |--> create = 0.028139 seconds -*** |--> destroy = 0.0022 seconds -*** |--> disk write = 0.023878 seconds -*** |--> disk read = 0.020311 seconds -*** |--> calc = 0.032364 seconds -*** Disk write bandwidth = 35.3809257320088 MB/s -*** Disk read bandwidth = 41.4160692347281 MB/s -*** Minimum energy = -107.328765312059 +*** Elapsed wall time = 4.468308 seconds +*** |--> S.join = 0.023407 seconds +*** |--> S.solve = 4.152434 seconds +*** |--> S.split = 0.065096 seconds +*** |--> Tensor update = 0.226816 seconds +*** |--> create = 0.035981 seconds +*** |--> destroy = 0.002819 seconds +*** |--> disk write = 0.036818 seconds +*** |--> disk read = 0.026195 seconds +*** |--> calc = 0.124888 seconds +*** Disk write bandwidth = 22.9459977355887 MB/s +*** Disk read bandwidth = 32.1130667007659 MB/s +*** Minimum energy = -107.328765032482 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328765312059 +Energy at sites (0, 1) is -107.328765032482 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328765312059 +Energy at sites (1, 2) is -107.328765032482 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328765312059 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.328765313074 +Energy at sites (2, 3) is -107.328765032482 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.328765034728 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.328767662603 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.328768891171 +Energy at sites (4, 5) is -107.32876718409 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (5, 6) is -107.328768891816 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768891171 +Energy at sites (6, 7) is -107.328768891815 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768891172 +Energy at sites (7, 8) is -107.328768891815 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.280012 seconds -*** |--> S.join = 0.006076 seconds -*** |--> S.solve = 0.153376 seconds -*** |--> S.split = 0.014728 seconds -*** |--> Tensor update = 0.10547 seconds -*** |--> create = 0.028825 seconds -*** |--> destroy = 0.002223 seconds -*** |--> disk write = 0.023634 seconds -*** |--> disk read = 0.020812 seconds -*** |--> calc = 0.0299 seconds -*** Disk write bandwidth = 35.5928654576696 MB/s -*** Disk read bandwidth = 40.5932031822461 MB/s -*** Minimum energy = -107.328768891172 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.328768891172 +*** Elapsed wall time = 0.852036 seconds +*** |--> S.join = 0.033271 seconds +*** |--> S.solve = 0.541206 seconds +*** |--> S.split = 0.074126 seconds +*** |--> Tensor update = 0.202845 seconds +*** |--> create = 0.036545 seconds +*** |--> destroy = 0.002822 seconds +*** |--> disk write = 0.030203 seconds +*** |--> disk read = 0.0291 seconds +*** |--> calc = 0.104057 seconds +*** Disk write bandwidth = 27.8515969349589 MB/s +*** Disk read bandwidth = 29.031812530203 MB/s +*** Minimum energy = -107.328768891816 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.328768891815 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.328768891171 +Energy at sites (8, 9) is -107.328768891816 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768891171 +Energy at sites (7, 8) is -107.328768891815 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768891172 +Energy at sites (6, 7) is -107.328768891815 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768891171 +Energy at sites (5, 6) is -107.328768891815 Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.328768891422 +Energy at sites (4, 5) is -107.328768892177 Stats: nIt(DAVIDSON) = 3 -Energy at sites (3, 4) is -107.328768897977 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.328768897992 +Energy at sites (3, 4) is -107.32876889798 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897992 +Energy at sites (2, 3) is -107.32876889798 + Stats: nIt(DAVIDSON) = 1 +Energy at sites (1, 2) is -107.32876889798 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.228177 seconds -*** |--> S.join = 0.006522 seconds -*** |--> S.solve = 0.087352 seconds -*** |--> S.split = 0.02323 seconds -*** |--> Tensor update = 0.110701 seconds -*** |--> create = 0.028573 seconds -*** |--> destroy = 0.002226 seconds -*** |--> disk write = 0.023149 seconds -*** |--> disk read = 0.020646 seconds -*** |--> calc = 0.036026 seconds -*** Disk write bandwidth = 36.4951291472161 MB/s -*** Disk read bandwidth = 40.7440560993201 MB/s -*** Minimum energy = -107.328768897992 +*** Elapsed wall time = 0.586942 seconds +*** |--> S.join = 0.035778 seconds +*** |--> S.solve = 0.266508 seconds +*** |--> S.split = 0.060608 seconds +*** |--> Tensor update = 0.223476 seconds +*** |--> create = 0.03001 seconds +*** |--> destroy = 0.003059 seconds +*** |--> disk write = 0.030957 seconds +*** |--> disk read = 0.04185 seconds +*** |--> calc = 0.117473 seconds +*** Disk write bandwidth = 27.2902976589756 MB/s +*** Disk read bandwidth = 20.1004010089979 MB/s +*** Minimum energy = -107.32876889798 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328768897992 +Energy at sites (0, 1) is -107.32876889798 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897992 +Energy at sites (1, 2) is -107.32876889798 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768897992 +Energy at sites (2, 3) is -107.32876889798 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.328768897992 +Energy at sites (3, 4) is -107.32876889798 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.328768898021 +Energy at sites (4, 5) is -107.328768898013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768898021 +Energy at sites (5, 6) is -107.328768898013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768898021 +Energy at sites (6, 7) is -107.328768898013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768898021 +Energy at sites (7, 8) is -107.328768898013 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.197424 seconds -*** |--> S.join = 0.006029 seconds -*** |--> S.solve = 0.064216 seconds -*** |--> S.split = 0.016398 seconds -*** |--> Tensor update = 0.11042 seconds -*** |--> create = 0.029175 seconds -*** |--> destroy = 0.002292 seconds -*** |--> disk write = 0.025206 seconds -*** |--> disk read = 0.020961 seconds -*** |--> calc = 0.032711 seconds -*** Disk write bandwidth = 33.3730771334826 MB/s -*** Disk read bandwidth = 40.3046488540101 MB/s -*** Minimum energy = -107.328768898021 +*** Elapsed wall time = 0.573622 seconds +*** |--> S.join = 0.051236 seconds +*** |--> S.solve = 0.218027 seconds +*** |--> S.split = 0.075702 seconds +*** |--> Tensor update = 0.228069 seconds +*** |--> create = 0.031951 seconds +*** |--> destroy = 0.003014 seconds +*** |--> disk write = 0.03069 seconds +*** |--> disk read = 0.033845 seconds +*** |--> calc = 0.128441 seconds +*** Disk write bandwidth = 27.4096377395426 MB/s +*** Disk read bandwidth = 24.961611600795 MB/s +*** Minimum energy = -107.328768898013 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 6.84974565956509e-09 +*** Energy difference with respect to previous leftright sweep = 6.19786533206934e-09 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 2280 -*** Minimum energy encountered during all instructions = -107.328768898021 -*** Minimum energy encountered during the last sweep = -107.328768898021 +*** Minimum energy encountered during all instructions = -107.328768898013 +*** Minimum energy encountered during the last sweep = -107.328768898013 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.328768898022 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (8, 9) is -107.328768898015 Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -107.328768898027 +Energy at sites (7, 8) is -107.328768898021 Stats: nIt(DAVIDSON) = 14 -Energy at sites (6, 7) is -107.328768898032 +Energy at sites (6, 7) is -107.328768898028 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -107.328768898032 +Energy at sites (5, 6) is -107.328768898029 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.328768898032 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (3, 4) is -107.328768898032 - Stats: nIt(DAVIDSON) = 9 +Energy at sites (4, 5) is -107.328768898029 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (3, 4) is -107.328768898031 + Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.567834 seconds -*** |--> S.join = 0.010072 seconds -*** |--> S.solve = 0.423436 seconds -*** |--> S.split = 0.024434 seconds -*** |--> Tensor update = 0.109189 seconds -*** |--> create = 0.028343 seconds -*** |--> destroy = 0.002352 seconds -*** |--> disk write = 0.024919 seconds -*** |--> disk read = 0.021201 seconds -*** |--> calc = 0.0323 seconds -*** Disk write bandwidth = 33.9028751004818 MB/s -*** Disk read bandwidth = 39.6774577721128 MB/s +*** Elapsed wall time = 1.635883 seconds +*** |--> S.join = 0.027427 seconds +*** |--> S.solve = 1.353362 seconds +*** |--> S.split = 0.062026 seconds +*** |--> Tensor update = 0.192553 seconds +*** |--> create = 0.030808 seconds +*** |--> destroy = 0.003181 seconds +*** |--> disk write = 0.034333 seconds +*** |--> disk read = 0.026406 seconds +*** |--> calc = 0.097698 seconds +*** Disk write bandwidth = 24.6068139873855 MB/s +*** Disk read bandwidth = 31.8564637668167 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 ****************************************************************** @@ -1806,10 +1820,10 @@ Energy at sites (1, 2) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768898033 - Stats: nIt(DAVIDSON) = 8 + Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.328768898033 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.328768898033 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (4, 5) is -107.328768898032 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 @@ -1818,21 +1832,21 @@ Energy at sites (7, 8) is -107.328768898033 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.314866 seconds -*** |--> S.join = 0.01231 seconds -*** |--> S.solve = 0.177412 seconds -*** |--> S.split = 0.014549 seconds -*** |--> Tensor update = 0.110239 seconds -*** |--> create = 0.029317 seconds -*** |--> destroy = 0.002514 seconds -*** |--> disk write = 0.023309 seconds -*** |--> disk read = 0.020996 seconds -*** |--> calc = 0.034027 seconds -*** Disk write bandwidth = 36.0891407707994 MB/s -*** Disk read bandwidth = 40.2374616416892 MB/s +*** Elapsed wall time = 0.79518 seconds +*** |--> S.join = 0.042732 seconds +*** |--> S.solve = 0.502063 seconds +*** |--> S.split = 0.050591 seconds +*** |--> Tensor update = 0.199291 seconds +*** |--> create = 0.032167 seconds +*** |--> destroy = 0.003244 seconds +*** |--> disk write = 0.031939 seconds +*** |--> disk read = 0.037337 seconds +*** |--> calc = 0.094464 seconds +*** Disk write bandwidth = 26.3377620534946 MB/s +*** Disk read bandwidth = 22.6270387184001 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.1397105481592e-11 +*** Energy difference with respect to previous leftright sweep = 1.92130755749531e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -1846,51 +1860,51 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898032 - NOON of irrep Ag = [ 1.99999672241077 , 1.99571463015719 , 1.98497373603382 ]. - NOON of irrep B2g = [ 0.538989905113545 ]. - NOON of irrep B3g = [ 0.53898990496388 ]. - NOON of irrep B1u = [ 1.99999702947246 , 1.99149890562564 , 0.0194690668422321 ]. - NOON of irrep B2u = [ 1.46518504976555 ]. - NOON of irrep B3u = [ 1.46518504961489 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862739770327 , 0.0587089374080656 , 0.0554792810162946 , 1.11957630007429 , 1.11957629999389 , 8.52797482779845e-05 , 0.04217186213427 , 0.105000352908215 , 1.11261995848584 , 1.11261995856762 ]. - Idistance(0) = 4.60188108189548 - Idistance(1) = 17.7825010796417 - Idistance(2) = 85.6947708210346 + Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898033 + NOON of irrep Ag = [ 1.9999967224114 , 1.99571463010383 , 1.98497373609667 ]. + NOON of irrep B2g = [ 0.538989905174331 ]. + NOON of irrep B3g = [ 0.538989904907096 ]. + NOON of irrep B1u = [ 1.99999702947243 , 1.99149890562925 , 0.019469066827207 ]. + NOON of irrep B2u = [ 1.4651850498239 ]. + NOON of irrep B3u = [ 1.46518504955388 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862737118267 , 0.0587089374602166 , 0.0554792807689323 , 1.11957630010328 , 1.11957629996368 , 8.52797483805044e-05 , 0.0421718621071628 , 0.105000352875948 , 1.1126199584531 , 1.11261995859663 ]. + Idistance(0) = 4.6018810817589 + Idistance(1) = 17.7825010804766 + Idistance(2) = 85.6947708296508 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.317958 seconds -*** |--> MPS gauge change = 0.033738 seconds -*** |--> Diagram calc = 0.022117 seconds -*** |--> Tensor update = 0.260736 seconds -*** |--> create = 0.066762 seconds -*** |--> destroy = 0.006085 seconds -*** |--> disk write = 0.055106 seconds -*** |--> disk read = 0.051614 seconds -*** |--> calc = 0.080831 seconds -*** Disk write bandwidth = 31.0845285588088 MB/s -*** Disk read bandwidth = 33.1875853598194 MB/s +*** Elapsed wall time = 0.719696 seconds +*** |--> MPS gauge change = 0.122635 seconds +*** |--> Diagram calc = 0.051741 seconds +*** |--> Tensor update = 0.543857 seconds +*** |--> create = 0.080809 seconds +*** |--> destroy = 0.012975 seconds +*** |--> disk write = 0.078832 seconds +*** |--> disk read = 0.09908 seconds +*** |--> calc = 0.269658 seconds +*** Disk write bandwidth = 21.7290444332469 MB/s +*** Disk read bandwidth = 17.2884944566181 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1160 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.0751953125 MB memory. -FCI::matvec : Wall time = 1.539397 seconds -FCI::matvec : Wall time = 1.523919 seconds -FCI::matvec : Wall time = 1.362232 seconds -FCI::matvec : Wall time = 1.478126 seconds -FCI::matvec : Wall time = 1.678562 seconds -FCI::matvec : Wall time = 1.509582 seconds -FCI::matvec : Wall time = 1.261004 seconds -FCI::matvec : Wall time = 1.208145 seconds -FCI::matvec : Wall time = 1.183645 seconds -FCI::matvec : Wall time = 1.168981 seconds -FCI::matvec : Wall time = 1.168448 seconds -FCI::matvec : Wall time = 1.204848 seconds -FCI::matvec : Wall time = 1.186198 seconds -FCI::matvec : Wall time = 1.250911 seconds -FCI::matvec : Wall time = 1.236613 seconds -FCI::matvec : Wall time = 1.375043 seconds -FCI::matvec : Wall time = 1.277312 seconds +FCI::matvec : Wall time = 4.583109 seconds +FCI::matvec : Wall time = 4.396073 seconds +FCI::matvec : Wall time = 3.118477 seconds +FCI::matvec : Wall time = 5.489429 seconds +FCI::matvec : Wall time = 5.166382 seconds +FCI::matvec : Wall time = 5.617129 seconds +FCI::matvec : Wall time = 5.488508 seconds +FCI::matvec : Wall time = 5.356439 seconds +FCI::matvec : Wall time = 5.574029 seconds +FCI::matvec : Wall time = 5.547864 seconds +FCI::matvec : Wall time = 4.572187 seconds +FCI::matvec : Wall time = 4.72462 seconds +FCI::matvec : Wall time = 5.690034 seconds +FCI::matvec : Wall time = 5.031159 seconds +FCI::matvec : Wall time = 4.711221 seconds +FCI::matvec : Wall time = 4.624785 seconds +FCI::matvec : Wall time = 3.962488 seconds FCI::GSDavidson : Converged ground state energy = -107.328768898032 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 Info on DMRG::operators rm call to system: 0 @@ -1912,177 +1926,177 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 13 -Energy at sites (8, 9) is -95.0659540654193 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (7, 8) is -105.669462435967 - Stats: nIt(DAVIDSON) = 27 -Energy at sites (6, 7) is -106.994494471516 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (5, 6) is -106.995093465602 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (4, 5) is -106.99714756409 - Stats: nIt(DAVIDSON) = 23 -Energy at sites (3, 4) is -107.000926764099 - Stats: nIt(DAVIDSON) = 15 -Energy at sites (2, 3) is -107.007879405125 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (8, 9) is -98.7732190775151 + Stats: nIt(DAVIDSON) = 20 +Energy at sites (7, 8) is -105.669298531645 + Stats: nIt(DAVIDSON) = 39 +Energy at sites (6, 7) is -106.99453875318 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (5, 6) is -106.994956840133 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (4, 5) is -106.996924624003 + Stats: nIt(DAVIDSON) = 22 +Energy at sites (3, 4) is -106.999563683876 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (2, 3) is -107.007880136664 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007879405125 +Energy at sites (1, 2) is -107.007880136664 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 0.667962 seconds -*** |--> S.join = 0.00932 seconds -*** |--> S.solve = 0.537245 seconds -*** |--> S.split = 0.020738 seconds -*** |--> Tensor update = 0.100275 seconds -*** |--> create = 0.022437 seconds -*** |--> destroy = 0.002282 seconds -*** |--> disk write = 0.022866 seconds -*** |--> disk read = 0.021344 seconds -*** |--> calc = 0.031268 seconds -*** Disk write bandwidth = 8.54061103019356 MB/s -*** Disk read bandwidth = 9.09886796256413 MB/s -*** Minimum energy = -107.007879405125 +*** Elapsed wall time = 1.405095 seconds +*** |--> S.join = 0.015951 seconds +*** |--> S.solve = 1.170903 seconds +*** |--> S.split = 0.037217 seconds +*** |--> Tensor update = 0.18049 seconds +*** |--> create = 0.024034 seconds +*** |--> destroy = 0.003358 seconds +*** |--> disk write = 0.037555 seconds +*** |--> disk read = 0.039612 seconds +*** |--> calc = 0.075806 seconds +*** Disk write bandwidth = 5.2000961740489 MB/s +*** Disk read bandwidth = 4.90271225368496 MB/s +*** Minimum energy = -107.007880136664 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007879405125 +Energy at sites (0, 1) is -107.007880136664 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007879405125 +Energy at sites (1, 2) is -107.007880136664 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007879405125 +Energy at sites (2, 3) is -107.007880136664 Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.007879623862 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.007881550446 +Energy at sites (3, 4) is -107.007880469301 Stats: nIt(DAVIDSON) = 9 -Energy at sites (5, 6) is -107.007920341739 +Energy at sites (4, 5) is -107.007882802727 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (5, 6) is -107.007920340825 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.007920341894 +Energy at sites (6, 7) is -107.00792034112 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920341894 +Energy at sites (7, 8) is -107.00792034112 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.230717 seconds -*** |--> S.join = 0.006548 seconds -*** |--> S.solve = 0.117014 seconds -*** |--> S.split = 0.013544 seconds -*** |--> Tensor update = 0.093239 seconds -*** |--> create = 0.022542 seconds -*** |--> destroy = 0.002286 seconds -*** |--> disk write = 0.022535 seconds -*** |--> disk read = 0.020211 seconds -*** |--> calc = 0.025594 seconds -*** Disk write bandwidth = 8.61798259564982 MB/s -*** Disk read bandwidth = 9.66254078553294 MB/s -*** Minimum energy = -107.007920341894 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.007920341894 +*** Elapsed wall time = 0.668725 seconds +*** |--> S.join = 0.020999 seconds +*** |--> S.solve = 0.381424 seconds +*** |--> S.split = 0.068011 seconds +*** |--> Tensor update = 0.197558 seconds +*** |--> create = 0.029922 seconds +*** |--> destroy = 0.003543 seconds +*** |--> disk write = 0.034877 seconds +*** |--> disk read = 0.036065 seconds +*** |--> calc = 0.093013 seconds +*** Disk write bandwidth = 5.56831831272669 MB/s +*** Disk read bandwidth = 5.41493447432154 MB/s +*** Minimum energy = -107.00792034112 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.00792034112 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.007920341894 +Energy at sites (8, 9) is -107.00792034112 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920341894 +Energy at sites (7, 8) is -107.00792034112 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920341894 +Energy at sites (6, 7) is -107.00792034112 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.007920341894 +Energy at sites (5, 6) is -107.00792034112 Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.007920365595 +Energy at sites (4, 5) is -107.00792035524 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.007920405359 +Energy at sites (3, 4) is -107.007920396242 Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.007920596673 +Energy at sites (2, 3) is -107.00792059655 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596673 +Energy at sites (1, 2) is -107.00792059655 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.167939 seconds -*** |--> S.join = 0.006248 seconds -*** |--> S.solve = 0.058055 seconds -*** |--> S.split = 0.012852 seconds -*** |--> Tensor update = 0.090421 seconds -*** |--> create = 0.022287 seconds -*** |--> destroy = 0.002338 seconds -*** |--> disk write = 0.02175 seconds -*** |--> disk read = 0.02066 seconds -*** |--> calc = 0.023313 seconds -*** Disk write bandwidth = 8.97883272719109 MB/s -*** Disk read bandwidth = 9.40010831524534 MB/s -*** Minimum energy = -107.007920596673 +*** Elapsed wall time = 0.519415 seconds +*** |--> S.join = 0.023187 seconds +*** |--> S.solve = 0.222689 seconds +*** |--> S.split = 0.060925 seconds +*** |--> Tensor update = 0.21184 seconds +*** |--> create = 0.024753 seconds +*** |--> destroy = 0.003705 seconds +*** |--> disk write = 0.043879 seconds +*** |--> disk read = 0.051307 seconds +*** |--> calc = 0.088038 seconds +*** Disk write bandwidth = 4.45063952725464 MB/s +*** Disk read bandwidth = 3.78518014682146 MB/s +*** Minimum energy = -107.00792059655 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007920596673 +Energy at sites (0, 1) is -107.00792059655 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596673 +Energy at sites (1, 2) is -107.00792059655 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007920596673 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -107.007920596793 +Energy at sites (2, 3) is -107.00792059655 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.007920596822 +Energy at sites (3, 4) is -107.007920596673 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -107.00792059937 +Energy at sites (4, 5) is -107.0079205967 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (5, 6) is -107.007920599389 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.00792059937 +Energy at sites (6, 7) is -107.007920599389 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.00792059937 +Energy at sites (7, 8) is -107.00792059939 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.162526 seconds -*** |--> S.join = 0.005679 seconds -*** |--> S.solve = 0.051425 seconds -*** |--> S.split = 0.013164 seconds -*** |--> Tensor update = 0.091905 seconds -*** |--> create = 0.023234 seconds -*** |--> destroy = 0.00237 seconds -*** |--> disk write = 0.021856 seconds -*** |--> disk read = 0.020662 seconds -*** |--> calc = 0.023707 seconds -*** Disk write bandwidth = 8.88571732215267 MB/s -*** Disk read bandwidth = 9.45163158534538 MB/s -*** Minimum energy = -107.00792059937 +*** Elapsed wall time = 0.549137 seconds +*** |--> S.join = 0.034416 seconds +*** |--> S.solve = 0.215303 seconds +*** |--> S.split = 0.07339 seconds +*** |--> Tensor update = 0.225237 seconds +*** |--> create = 0.035104 seconds +*** |--> destroy = 0.003547 seconds +*** |--> disk write = 0.035556 seconds +*** |--> disk read = 0.049925 seconds +*** |--> calc = 0.100972 seconds +*** Disk write bandwidth = 5.46198216315021 MB/s +*** Disk read bandwidth = 3.911659725917 MB/s +*** Minimum energy = -107.00792059939 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.57475477383196e-07 +*** Energy difference with respect to previous leftright sweep = 2.58269409414424e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 631 -*** Minimum energy encountered during all instructions = -107.00792059937 -*** Minimum energy encountered during the last sweep = -107.00792059937 +*** Minimum energy encountered during all instructions = -107.00792059939 +*** Minimum energy encountered during the last sweep = -107.00792059939 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.007920599372 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (8, 9) is -107.007920599391 Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -107.007920599393 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (6, 7) is -107.007920599398 +Energy at sites (7, 8) is -107.007920599394 Stats: nIt(DAVIDSON) = 14 -Energy at sites (5, 6) is -107.007920599401 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -107.007920599401 +Energy at sites (6, 7) is -107.007920599397 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (5, 6) is -107.007920599397 Stats: nIt(DAVIDSON) = 12 -Energy at sites (3, 4) is -107.007920599402 +Energy at sites (4, 5) is -107.007920599397 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (3, 4) is -107.007920599398 Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920599438 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.41086 seconds -*** |--> S.join = 0.006599 seconds -*** |--> S.solve = 0.295979 seconds -*** |--> S.split = 0.015573 seconds -*** |--> Tensor update = 0.092326 seconds -*** |--> create = 0.022216 seconds -*** |--> destroy = 0.002573 seconds -*** |--> disk write = 0.021948 seconds -*** |--> disk read = 0.019361 seconds -*** |--> calc = 0.026151 seconds -*** Disk write bandwidth = 8.8978317758523 MB/s -*** Disk read bandwidth = 10.0307958159686 MB/s +*** Elapsed wall time = 1.152533 seconds +*** |--> S.join = 0.02834 seconds +*** |--> S.solve = 0.858195 seconds +*** |--> S.split = 0.047135 seconds +*** |--> Tensor update = 0.218264 seconds +*** |--> create = 0.032386 seconds +*** |--> destroy = 0.004247 seconds +*** |--> disk write = 0.039885 seconds +*** |--> disk read = 0.052165 seconds +*** |--> calc = 0.089428 seconds +*** Disk write bandwidth = 4.89631720738138 MB/s +*** Disk read bandwidth = 3.72292222357843 MB/s *** Minimum energy = -107.007920599438 *** Maximum discarded weight = 0 ****************************************************************** @@ -2094,31 +2108,31 @@ Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.007920599438 - Stats: nIt(DAVIDSON) = 11 + Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -107.007920599438 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.007920599439 - Stats: nIt(DAVIDSON) = 7 + Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.007920599439 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599439 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.29081 seconds -*** |--> S.join = 0.006573 seconds -*** |--> S.solve = 0.177037 seconds -*** |--> S.split = 0.015077 seconds -*** |--> Tensor update = 0.091755 seconds -*** |--> create = 0.022352 seconds -*** |--> destroy = 0.002234 seconds -*** |--> disk write = 0.023005 seconds -*** |--> disk read = 0.019919 seconds -*** |--> calc = 0.024182 seconds -*** Disk write bandwidth = 8.44191427050505 MB/s -*** Disk read bandwidth = 9.80418755039943 MB/s +*** Elapsed wall time = 0.834414 seconds +*** |--> S.join = 0.032856 seconds +*** |--> S.solve = 0.537308 seconds +*** |--> S.split = 0.063744 seconds +*** |--> Tensor update = 0.199731 seconds +*** |--> create = 0.026881 seconds +*** |--> destroy = 0.005398 seconds +*** |--> disk write = 0.047013 seconds +*** |--> disk read = 0.043805 seconds +*** |--> calc = 0.076453 seconds +*** Disk write bandwidth = 4.13090502186563 MB/s +*** Disk read bandwidth = 4.45815801429988 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 6.89510670781601e-11 +*** Energy difference with respect to previous leftright sweep = 4.90558704768773e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2133,45 +2147,45 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439 - NOON of irrep Ag = [ 1.99999761728801 , 1.99817458688076 , 1.99099529639344 ]. - NOON of irrep B2g = [ 0.999157310990847 ]. - NOON of irrep B3g = [ 0.999157310972578 ]. - NOON of irrep B1u = [ 1.99999763398138 , 1.99356772577194 , 0.0151843204875197 ]. - NOON of irrep B2u = [ 1.00188409862862 ]. - NOON of irrep B3u = [ 1.0018840986049 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624819350179e-05 , 0.0439795117049816 , 0.0191227057563926 , 0.710073263134999 , 0.710073263290965 , 0.000114194275827491 , 0.0501988279936963 , 0.0847680575260651 , 0.709393186470622 , 0.709393186321985 ]. - Idistance(0) = 1.96740724117762 - Idistance(1) = 7.24682976910085 - Idistance(2) = 34.604870993368 + NOON of irrep Ag = [ 1.99999761728684 , 1.99817458717737 , 1.99099529630668 ]. + NOON of irrep B2g = [ 0.999157310946737 ]. + NOON of irrep B3g = [ 0.999157311002833 ]. + NOON of irrep B1u = [ 1.99999763398146 , 1.9935677257692 , 0.0151843202933504 ]. + NOON of irrep B2u = [ 1.00188409858328 ]. + NOON of irrep B3u = [ 1.00188409865226 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624878758495e-05 , 0.0439795131121679 , 0.0191227042226255 , 0.710073263452212 , 0.710073263008933 , 0.000114194275782201 , 0.0501988277080596 , 0.0847680567133162 , 0.70939318620544 , 0.70939318662788 ]. + Idistance(0) = 1.96740723978468 + Idistance(1) = 7.24682976561324 + Idistance(2) = 34.6048709918984 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.271776 seconds -*** |--> MPS gauge change = 0.033021 seconds -*** |--> Diagram calc = 0.015 seconds -*** |--> Tensor update = 0.222221 seconds -*** |--> create = 0.052479 seconds -*** |--> destroy = 0.005865 seconds -*** |--> disk write = 0.053629 seconds -*** |--> disk read = 0.047843 seconds -*** |--> calc = 0.06212 seconds -*** Disk write bandwidth = 7.63024810612903 MB/s -*** Disk read bandwidth = 8.5530291930605 MB/s +*** Elapsed wall time = 0.716294 seconds +*** |--> MPS gauge change = 0.133873 seconds +*** |--> Diagram calc = 0.043182 seconds +*** |--> Tensor update = 0.537641 seconds +*** |--> create = 0.060729 seconds +*** |--> destroy = 0.018156 seconds +*** |--> disk write = 0.11379 seconds +*** |--> disk read = 0.11366 seconds +*** |--> calc = 0.230688 seconds +*** Disk write bandwidth = 3.5961207108146 MB/s +*** Disk read bandwidth = 3.60023381738161 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 276 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.01904296875 MB memory. -FCI::matvec : Wall time = 2.070867 seconds -FCI::matvec : Wall time = 1.53138 seconds -FCI::matvec : Wall time = 1.210106 seconds -FCI::matvec : Wall time = 1.39114 seconds -FCI::matvec : Wall time = 0.968977 seconds -FCI::matvec : Wall time = 1.601812 seconds -FCI::matvec : Wall time = 1.166041 seconds -FCI::matvec : Wall time = 0.912491 seconds -FCI::matvec : Wall time = 1.118905 seconds -FCI::matvec : Wall time = 1.495952 seconds -FCI::matvec : Wall time = 0.922872 seconds -FCI::matvec : Wall time = 0.98535 seconds +FCI::matvec : Wall time = 4.454062 seconds +FCI::matvec : Wall time = 2.817835 seconds +FCI::matvec : Wall time = 3.588869 seconds +FCI::matvec : Wall time = 3.523163 seconds +FCI::matvec : Wall time = 3.706892 seconds +FCI::matvec : Wall time = 2.569326 seconds +FCI::matvec : Wall time = 2.576807 seconds +FCI::matvec : Wall time = 3.713698 seconds +FCI::matvec : Wall time = 3.568318 seconds +FCI::matvec : Wall time = 3.029614 seconds +FCI::matvec : Wall time = 2.960508 seconds +FCI::matvec : Wall time = 2.773191 seconds FCI::GSDavidson : Converged ground state energy = -107.007920599439 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000001 and intended S(S+1) = 6 Info on DMRG::operators rm call to system: 0 @@ -2193,291 +2207,291 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 13 -Energy at sites (8, 9) is -98.5890248968833 - Stats: nIt(DAVIDSON) = 22 -Energy at sites (7, 8) is -105.791447028289 - Stats: nIt(DAVIDSON) = 47 -Energy at sites (6, 7) is -105.903340242631 - Stats: nIt(DAVIDSON) = 77 -Energy at sites (5, 6) is -105.913335511112 - Stats: nIt(DAVIDSON) = 49 -Energy at sites (4, 5) is -106.129392105196 - Stats: nIt(DAVIDSON) = 32 -Energy at sites (3, 4) is -106.139376185355 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -106.139376219055 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (8, 9) is -99.114292669047 + Stats: nIt(DAVIDSON) = 21 +Energy at sites (7, 8) is -105.7941356943 + Stats: nIt(DAVIDSON) = 62 +Energy at sites (6, 7) is -105.903795602339 + Stats: nIt(DAVIDSON) = 68 +Energy at sites (5, 6) is -105.942109157454 + Stats: nIt(DAVIDSON) = 36 +Energy at sites (4, 5) is -106.152170159577 + Stats: nIt(DAVIDSON) = 30 +Energy at sites (3, 4) is -106.166092513492 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (2, 3) is -106.166092853331 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.139376219055 +Energy at sites (1, 2) is -106.166092853331 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 0.908291 seconds -*** |--> S.join = 0.006147 seconds -*** |--> S.solve = 0.792393 seconds -*** |--> S.split = 0.01341 seconds -*** |--> Tensor update = 0.095918 seconds -*** |--> create = 0.022781 seconds -*** |--> destroy = 0.002249 seconds -*** |--> disk write = 0.025947 seconds -*** |--> disk read = 0.022402 seconds -*** |--> calc = 0.022463 seconds -*** Disk write bandwidth = 7.77964776304823 MB/s -*** Disk read bandwidth = 8.96237597019797 MB/s -*** Minimum energy = -106.139376219055 +*** Elapsed wall time = 2.704236 seconds +*** |--> S.join = 0.016802 seconds +*** |--> S.solve = 2.407782 seconds +*** |--> S.split = 0.059617 seconds +*** |--> Tensor update = 0.219043 seconds +*** |--> create = 0.031513 seconds +*** |--> destroy = 0.003521 seconds +*** |--> disk write = 0.047917 seconds +*** |--> disk read = 0.049479 seconds +*** |--> calc = 0.086458 seconds +*** Disk write bandwidth = 4.21267025289172 MB/s +*** Disk read bandwidth = 4.05778504990754 MB/s +*** Minimum energy = -106.166092853331 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.139376219055 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.139376219055 +Energy at sites (0, 1) is -106.166092853331 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.139376219055 +Energy at sites (1, 2) is -106.166092853331 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.139376219055 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (4, 5) is -106.144143791641 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (5, 6) is -106.191183854179 +Energy at sites (2, 3) is -106.166092853331 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.19118385421 +Energy at sites (3, 4) is -106.166092853372 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (4, 5) is -106.166150285336 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (5, 6) is -106.190829871206 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (6, 7) is -106.190829872976 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.19118385421 +Energy at sites (7, 8) is -106.190829872976 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.22539 seconds -*** |--> S.join = 0.005921 seconds -*** |--> S.solve = 0.112722 seconds -*** |--> S.split = 0.013305 seconds -*** |--> Tensor update = 0.093076 seconds -*** |--> create = 0.02286 seconds -*** |--> destroy = 0.002154 seconds -*** |--> disk write = 0.024095 seconds -*** |--> disk read = 0.020842 seconds -*** |--> calc = 0.023059 seconds -*** Disk write bandwidth = 8.33264770634468 MB/s -*** Disk read bandwidth = 9.685179949516 MB/s -*** Minimum energy = -106.19118385421 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 106.19118385421 +*** Elapsed wall time = 0.58728 seconds +*** |--> S.join = 0.014909 seconds +*** |--> S.solve = 0.337639 seconds +*** |--> S.split = 0.051699 seconds +*** |--> Tensor update = 0.182374 seconds +*** |--> create = 0.026734 seconds +*** |--> destroy = 0.00372 seconds +*** |--> disk write = 0.047949 seconds +*** |--> disk read = 0.029006 seconds +*** |--> calc = 0.074814 seconds +*** Disk write bandwidth = 4.18726452031064 MB/s +*** Disk read bandwidth = 6.95919880396513 MB/s +*** Minimum energy = -106.190829872976 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 106.190829872976 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.19118385421 +Energy at sites (8, 9) is -106.190829872976 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.19118385421 +Energy at sites (7, 8) is -106.190829872976 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.19118385421 +Energy at sites (6, 7) is -106.190829872976 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -106.19118385421 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -106.191205901148 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (3, 4) is -106.191464247434 +Energy at sites (5, 6) is -106.190829872976 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (4, 5) is -106.191297852718 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (3, 4) is -106.191451908282 Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -106.191464257424 +Energy at sites (2, 3) is -106.191451908842 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191464257424 +Energy at sites (1, 2) is -106.191451908842 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.191915 seconds -*** |--> S.join = 0.005242 seconds -*** |--> S.solve = 0.083533 seconds -*** |--> S.split = 0.013408 seconds -*** |--> Tensor update = 0.089381 seconds -*** |--> create = 0.022723 seconds -*** |--> destroy = 0.002185 seconds -*** |--> disk write = 0.023109 seconds -*** |--> disk read = 0.020077 seconds -*** |--> calc = 0.021221 seconds -*** Disk write bandwidth = 8.73506082079763 MB/s -*** Disk read bandwidth = 10.0002563373201 MB/s -*** Minimum energy = -106.191464257424 +*** Elapsed wall time = 0.728544 seconds +*** |--> S.join = 0.024791 seconds +*** |--> S.solve = 0.408507 seconds +*** |--> S.split = 0.073227 seconds +*** |--> Tensor update = 0.221375 seconds +*** |--> create = 0.026174 seconds +*** |--> destroy = 0.008557 seconds +*** |--> disk write = 0.038356 seconds +*** |--> disk read = 0.045111 seconds +*** |--> calc = 0.103035 seconds +*** Disk write bandwidth = 5.26276255365034 MB/s +*** Disk read bandwidth = 4.45069154938651 MB/s +*** Minimum energy = -106.191451908842 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191464257424 +Energy at sites (0, 1) is -106.191451908842 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191464257424 +Energy at sites (1, 2) is -106.191451908842 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191464257424 +Energy at sites (2, 3) is -106.191451908842 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.191464257424 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (4, 5) is -106.191464351037 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (5, 6) is -106.191466480057 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466480057 +Energy at sites (3, 4) is -106.191451908842 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (4, 5) is -106.191452040425 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (5, 6) is -106.191466304384 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (6, 7) is -106.1914663044 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466480057 +Energy at sites (7, 8) is -106.1914663044 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.188529 seconds -*** |--> S.join = 0.006159 seconds -*** |--> S.solve = 0.07967 seconds -*** |--> S.split = 0.013158 seconds -*** |--> Tensor update = 0.089183 seconds -*** |--> create = 0.023204 seconds -*** |--> destroy = 0.002128 seconds -*** |--> disk write = 0.022507 seconds -*** |--> disk read = 0.02019 seconds -*** |--> calc = 0.021088 seconds -*** Disk write bandwidth = 8.92056455699893 MB/s -*** Disk read bandwidth = 9.99794554273465 MB/s -*** Minimum energy = -106.191466480057 +*** Elapsed wall time = 0.623143 seconds +*** |--> S.join = 0.032247 seconds +*** |--> S.solve = 0.324367 seconds +*** |--> S.split = 0.062562 seconds +*** |--> Tensor update = 0.20328 seconds +*** |--> create = 0.025611 seconds +*** |--> destroy = 0.002994 seconds +*** |--> disk write = 0.028116 seconds +*** |--> disk read = 0.037042 seconds +*** |--> calc = 0.109382 seconds +*** Disk write bandwidth = 7.140956981234 MB/s +*** Disk read bandwidth = 5.44944982743406 MB/s +*** Minimum energy = -106.1914663044 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 0.000282625847006557 +*** Energy difference with respect to previous leftright sweep = 0.000636431424538841 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 621 -*** Minimum energy encountered during all instructions = -106.191466480057 -*** Minimum energy encountered during the last sweep = -106.191466480057 +*** Minimum energy encountered during all instructions = -106.1914663044 +*** Minimum energy encountered during the last sweep = -106.1914663044 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** + Stats: nIt(DAVIDSON) = 8 +Energy at sites (8, 9) is -106.191466304401 Stats: nIt(DAVIDSON) = 9 -Energy at sites (8, 9) is -106.191466480061 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -106.191466480062 +Energy at sites (7, 8) is -106.191466304401 Stats: nIt(DAVIDSON) = 9 -Energy at sites (6, 7) is -106.191466480063 +Energy at sites (6, 7) is -106.191466304402 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -106.191466480065 +Energy at sites (5, 6) is -106.191466304406 Stats: nIt(DAVIDSON) = 18 -Energy at sites (4, 5) is -106.191466556363 +Energy at sites (4, 5) is -106.191466442165 Stats: nIt(DAVIDSON) = 20 -Energy at sites (3, 4) is -106.191466569974 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (2, 3) is -106.191466569983 +Energy at sites (3, 4) is -106.191466559995 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (2, 3) is -106.19146656 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466569983 +Energy at sites (1, 2) is -106.19146656 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.361911 seconds -*** |--> S.join = 0.005662 seconds -*** |--> S.solve = 0.251325 seconds -*** |--> S.split = 0.012828 seconds -*** |--> Tensor update = 0.091718 seconds -*** |--> create = 0.022599 seconds -*** |--> destroy = 0.002307 seconds -*** |--> disk write = 0.023611 seconds -*** |--> disk read = 0.020577 seconds -*** |--> calc = 0.022552 seconds -*** Disk write bandwidth = 8.54934227723572 MB/s -*** Disk read bandwidth = 9.75726036275332 MB/s -*** Minimum energy = -106.191466569983 +*** Elapsed wall time = 1.194945 seconds +*** |--> S.join = 0.044246 seconds +*** |--> S.solve = 0.884977 seconds +*** |--> S.split = 0.062372 seconds +*** |--> Tensor update = 0.202565 seconds +*** |--> create = 0.025487 seconds +*** |--> destroy = 0.003471 seconds +*** |--> disk write = 0.038944 seconds +*** |--> disk read = 0.025292 seconds +*** |--> calc = 0.109224 seconds +*** Disk write bandwidth = 5.18330219052518 MB/s +*** Disk read bandwidth = 7.93828667105705 MB/s +*** Minimum energy = -106.19146656 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466569983 +Energy at sites (0, 1) is -106.19146656 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466569983 +Energy at sites (1, 2) is -106.19146656 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466569983 +Energy at sites (2, 3) is -106.19146656 Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -106.191466569983 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -106.191466569989 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (5, 6) is -106.19146657554 +Energy at sites (3, 4) is -106.19146656 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (4, 5) is -106.191466560033 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (5, 6) is -106.191466574964 Stats: nIt(DAVIDSON) = 4 -Energy at sites (6, 7) is -106.19146657554 +Energy at sites (6, 7) is -106.191466574965 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.19146657554 +Energy at sites (7, 8) is -106.191466574965 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.285597 seconds -*** |--> S.join = 0.00521 seconds -*** |--> S.solve = 0.172012 seconds -*** |--> S.split = 0.014283 seconds -*** |--> Tensor update = 0.09373 seconds -*** |--> create = 0.022895 seconds -*** |--> destroy = 0.00223 seconds -*** |--> disk write = 0.023338 seconds -*** |--> disk read = 0.020337 seconds -*** |--> calc = 0.024858 seconds -*** Disk write bandwidth = 8.60292854933478 MB/s -*** Disk read bandwidth = 9.92567834527278 MB/s -*** Minimum energy = -106.19146657554 +*** Elapsed wall time = 0.891766 seconds +*** |--> S.join = 0.024029 seconds +*** |--> S.solve = 0.57122 seconds +*** |--> S.split = 0.080422 seconds +*** |--> Tensor update = 0.215049 seconds +*** |--> create = 0.02665 seconds +*** |--> destroy = 0.00387 seconds +*** |--> disk write = 0.044872 seconds +*** |--> disk read = 0.043445 seconds +*** |--> calc = 0.096031 seconds +*** Disk write bandwidth = 4.47439709583649 MB/s +*** Disk read bandwidth = 4.64630039147917 MB/s +*** Minimum energy = -106.191466574965 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 9.5482647566314e-08 +*** Energy difference with respect to previous leftright sweep = 2.70564328275213e-07 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.19146657554 +Energy at sites (8, 9) is -106.191466574965 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.19146657554 +Energy at sites (7, 8) is -106.191466574965 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.19146657554 +Energy at sites (6, 7) is -106.191466574965 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -106.19146657554 +Energy at sites (5, 6) is -106.191466574965 Stats: nIt(DAVIDSON) = 15 -Energy at sites (4, 5) is -106.191466575861 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (3, 4) is -106.191466575921 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (2, 3) is -106.191466575921 +Energy at sites (4, 5) is -106.191466575522 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (3, 4) is -106.191466575888 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (2, 3) is -106.191466575888 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575921 +Energy at sites (1, 2) is -106.191466575888 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 0.265225 seconds -*** |--> S.join = 0.008064 seconds -*** |--> S.solve = 0.152139 seconds -*** |--> S.split = 0.014345 seconds -*** |--> Tensor update = 0.090303 seconds -*** |--> create = 0.022564 seconds -*** |--> destroy = 0.002276 seconds -*** |--> disk write = 0.022822 seconds -*** |--> disk read = 0.020115 seconds -*** |--> calc = 0.02245 seconds -*** Disk write bandwidth = 8.84490932029675 MB/s -*** Disk read bandwidth = 9.98136447846756 MB/s -*** Minimum energy = -106.191466575921 +*** Elapsed wall time = 0.803609 seconds +*** |--> S.join = 0.0195 seconds +*** |--> S.solve = 0.491882 seconds +*** |--> S.split = 0.068761 seconds +*** |--> Tensor update = 0.222704 seconds +*** |--> create = 0.02679 seconds +*** |--> destroy = 0.005176 seconds +*** |--> disk write = 0.069787 seconds +*** |--> disk read = 0.050049 seconds +*** |--> calc = 0.070677 seconds +*** Disk write bandwidth = 2.89249459795968 MB/s +*** Disk read bandwidth = 4.01157158952976 MB/s +*** Minimum energy = -106.191466575888 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466575921 +Energy at sites (0, 1) is -106.191466575888 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575921 +Energy at sites (1, 2) is -106.191466575888 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466575921 +Energy at sites (2, 3) is -106.191466575888 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -106.191466575921 +Energy at sites (3, 4) is -106.191466575888 Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -106.191466575921 +Energy at sites (4, 5) is -106.191466575888 Stats: nIt(DAVIDSON) = 15 -Energy at sites (5, 6) is -106.191466575948 +Energy at sites (5, 6) is -106.191466575946 Stats: nIt(DAVIDSON) = 3 -Energy at sites (6, 7) is -106.191466575948 +Energy at sites (6, 7) is -106.191466575946 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575948 +Energy at sites (7, 8) is -106.191466575946 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 0.249127 seconds -*** |--> S.join = 0.005612 seconds -*** |--> S.solve = 0.134895 seconds -*** |--> S.split = 0.015587 seconds -*** |--> Tensor update = 0.092648 seconds -*** |--> create = 0.023095 seconds -*** |--> destroy = 0.002368 seconds -*** |--> disk write = 0.023839 seconds -*** |--> disk read = 0.020129 seconds -*** |--> calc = 0.023138 seconds -*** Disk write bandwidth = 8.42212955595348 MB/s -*** Disk read bandwidth = 10.0282438525417 MB/s -*** Minimum energy = -106.191466575948 +*** Elapsed wall time = 0.738832 seconds +*** |--> S.join = 0.020403 seconds +*** |--> S.solve = 0.441789 seconds +*** |--> S.split = 0.05258 seconds +*** |--> Tensor update = 0.223225 seconds +*** |--> create = 0.030716 seconds +*** |--> destroy = 0.004681 seconds +*** |--> disk write = 0.051813 seconds +*** |--> disk read = 0.063611 seconds +*** |--> calc = 0.072169 seconds +*** Disk write bandwidth = 3.8749955896083 MB/s +*** Disk read bandwidth = 3.17332726270319 MB/s +*** Minimum energy = -106.191466575946 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 4.08249434258323e-10 +*** Energy difference with respect to previous leftright sweep = 9.81629000307294e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191466575948 +Energy at sites (8, 9) is -106.191466575946 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575948 +Energy at sites (7, 8) is -106.191466575946 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466575948 +Energy at sites (6, 7) is -106.191466575946 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -106.191466575948 +Energy at sites (5, 6) is -106.191466575946 Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -106.19146657595 +Energy at sites (4, 5) is -106.191466575949 Stats: nIt(DAVIDSON) = 13 Energy at sites (3, 4) is -106.19146657595 Stats: nIt(DAVIDSON) = 4 @@ -2486,18 +2500,18 @@ Energy at sites (1, 2) is -106.19146657595 ****************************************************************** *** Information on left sweep 2 of instruction 1: -*** Elapsed wall time = 0.281191 seconds -*** |--> S.join = 0.005489 seconds -*** |--> S.solve = 0.14253 seconds -*** |--> S.split = 0.039601 seconds -*** |--> Tensor update = 0.093176 seconds -*** |--> create = 0.023357 seconds -*** |--> destroy = 0.002356 seconds -*** |--> disk write = 0.022623 seconds -*** |--> disk read = 0.020536 seconds -*** |--> calc = 0.024227 seconds -*** Disk write bandwidth = 8.92271230640554 MB/s -*** Disk read bandwidth = 9.77674067415149 MB/s +*** Elapsed wall time = 0.607047 seconds +*** |--> S.join = 0.019171 seconds +*** |--> S.solve = 0.331465 seconds +*** |--> S.split = 0.03143 seconds +*** |--> Tensor update = 0.224005 seconds +*** |--> create = 0.028257 seconds +*** |--> destroy = 0.005555 seconds +*** |--> disk write = 0.066131 seconds +*** |--> disk read = 0.055208 seconds +*** |--> calc = 0.068602 seconds +*** Disk write bandwidth = 3.05240387273461 MB/s +*** Disk read bandwidth = 3.63670385604215 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 ****************************************************************** @@ -2507,11 +2521,11 @@ Energy at sites (1, 2) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.19146657595 - Stats: nIt(DAVIDSON) = 1 + Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -106.19146657595 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -106.19146657595 - Stats: nIt(DAVIDSON) = 11 + Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -106.19146657595 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.19146657595 @@ -2519,21 +2533,21 @@ Energy at sites (7, 8) is -106.19146657595 ****************************************************************** *** Information on right sweep 2 of instruction 1: -*** Elapsed wall time = 0.215831 seconds -*** |--> S.join = 0.005507 seconds -*** |--> S.solve = 0.106204 seconds -*** |--> S.split = 0.013782 seconds -*** |--> Tensor update = 0.089972 seconds -*** |--> create = 0.022808 seconds -*** |--> destroy = 0.002232 seconds -*** |--> disk write = 0.022851 seconds -*** |--> disk read = 0.019195 seconds -*** |--> calc = 0.022815 seconds -*** Disk write bandwidth = 8.7862739698208 MB/s -*** Disk read bandwidth = 10.5162032043664 MB/s +*** Elapsed wall time = 0.671683 seconds +*** |--> S.join = 0.022417 seconds +*** |--> S.solve = 0.361591 seconds +*** |--> S.split = 0.057942 seconds +*** |--> Tensor update = 0.228526 seconds +*** |--> create = 0.028497 seconds +*** |--> destroy = 0.006935 seconds +*** |--> disk write = 0.0536 seconds +*** |--> disk read = 0.051089 seconds +*** |--> calc = 0.088142 seconds +*** Disk write bandwidth = 3.74580497172341 MB/s +*** Disk read bandwidth = 3.95111512278205 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.07478478841949e-12 +*** Energy difference with respect to previous leftright sweep = 3.92219590139575e-12 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2548,51 +2562,51 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595 - NOON of irrep Ag = [ 1.99999399659659 , 1.99366325586267 , 1.87190048901451 ]. - NOON of irrep B2g = [ 0.584814259740837 ]. - NOON of irrep B3g = [ 0.584814307874101 ]. - NOON of irrep B1u = [ 1.99999783389181 , 1.12096429246102 , 1.00219410666973 ]. - NOON of irrep B2u = [ 1.42082870076151 ]. - NOON of irrep B3u = [ 1.42082875712721 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128256896979e-05 , 0.0722109555822544 , 0.460791917372119 , 1.1307577907384 , 1.13075780367392 , 6.17502949875854e-05 , 0.977139015650857 , 0.735936485536384 , 1.12042724648223 , 1.12042721828897 ]. - Idistance(0) = 5.65234395084034 - Idistance(1) = 19.8382955957123 - Idistance(2) = 88.8195398207666 + NOON of irrep Ag = [ 1.99999399659583 , 1.99366325482809 , 1.8719004847564 ]. + NOON of irrep B2g = [ 0.584814272827167 ]. + NOON of irrep B3g = [ 0.584814299338949 ]. + NOON of irrep B1u = [ 1.99999783389187 , 1.12096429386904 , 1.00219410544498 ]. + NOON of irrep B2u = [ 1.42082871933337 ]. + NOON of irrep B3u = [ 1.42082873911431 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 8.1712835357735e-05 , 0.0722109590626983 , 0.460791930691979 , 1.13075779020566 , 1.13075781197149 , 6.17502941598796e-05 , 0.977139017434962 , 0.735936491877397 , 1.1204272367701 , 1.12042722663353 ]. + Idistance(0) = 5.65234398608953 + Idistance(1) = 19.8382957493011 + Idistance(2) = 88.8195404583898 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.298299 seconds -*** |--> MPS gauge change = 0.03388 seconds -*** |--> Diagram calc = 0.027209 seconds -*** |--> Tensor update = 0.235672 seconds -*** |--> create = 0.05331 seconds -*** |--> destroy = 0.005918 seconds -*** |--> disk write = 0.054829 seconds -*** |--> disk read = 0.047501 seconds -*** |--> calc = 0.073828 seconds -*** Disk write bandwidth = 7.70286514556907 MB/s -*** Disk read bandwidth = 8.89118951319775 MB/s +*** Elapsed wall time = 0.674739 seconds +*** |--> MPS gauge change = 0.166459 seconds +*** |--> Diagram calc = 0.034508 seconds +*** |--> Tensor update = 0.472273 seconds +*** |--> create = 0.065693 seconds +*** |--> destroy = 0.012718 seconds +*** |--> disk write = 0.091552 seconds +*** |--> disk read = 0.089753 seconds +*** |--> calc = 0.207892 seconds +*** Disk write bandwidth = 4.61312033670926 MB/s +*** Disk read bandwidth = 4.70558525137217 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 276 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.01904296875 MB memory. -FCI::matvec : Wall time = 1.243553 seconds -FCI::matvec : Wall time = 2.941256 seconds -FCI::matvec : Wall time = 3.738572 seconds -FCI::matvec : Wall time = 3.423459 seconds -FCI::matvec : Wall time = 2.963785 seconds -FCI::matvec : Wall time = 2.235343 seconds -FCI::matvec : Wall time = 1.456134 seconds -FCI::matvec : Wall time = 0.904819 seconds -FCI::matvec : Wall time = 0.917412 seconds -FCI::matvec : Wall time = 0.891 seconds -FCI::matvec : Wall time = 0.876546 seconds -FCI::matvec : Wall time = 0.874766 seconds -FCI::matvec : Wall time = 0.908389 seconds -FCI::matvec : Wall time = 0.95197 seconds -FCI::matvec : Wall time = 0.882976 seconds -FCI::matvec : Wall time = 0.896103 seconds -FCI::matvec : Wall time = 0.91046 seconds -FCI::matvec : Wall time = 0.877898 seconds +FCI::matvec : Wall time = 2.813279 seconds +FCI::matvec : Wall time = 2.85842 seconds +FCI::matvec : Wall time = 3.097103 seconds +FCI::matvec : Wall time = 2.683793 seconds +FCI::matvec : Wall time = 3.758722 seconds +FCI::matvec : Wall time = 3.553414 seconds +FCI::matvec : Wall time = 3.623618 seconds +FCI::matvec : Wall time = 3.779836 seconds +FCI::matvec : Wall time = 3.825975 seconds +FCI::matvec : Wall time = 3.464215 seconds +FCI::matvec : Wall time = 3.172629 seconds +FCI::matvec : Wall time = 3.378366 seconds +FCI::matvec : Wall time = 3.379668 seconds +FCI::matvec : Wall time = 3.17991 seconds +FCI::matvec : Wall time = 3.325046 seconds +FCI::matvec : Wall time = 3.251922 seconds +FCI::matvec : Wall time = 3.362016 seconds +FCI::matvec : Wall time = 3.818608 seconds FCI::GSDavidson : Converged ground state energy = -106.19146657595 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000001 and intended S(S+1) = 6 Info on DMRG::operators rm call to system: 0 @@ -2614,258 +2628,258 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 20 -Energy at sites (8, 9) is -101.8701234235 - Stats: nIt(DAVIDSON) = 32 -Energy at sites (7, 8) is -106.578472388576 - Stats: nIt(DAVIDSON) = 36 -Energy at sites (6, 7) is -106.778782330307 - Stats: nIt(DAVIDSON) = 55 -Energy at sites (5, 6) is -107.289127859562 - Stats: nIt(DAVIDSON) = 28 -Energy at sites (4, 5) is -107.34603861029 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (3, 4) is -107.346163276599 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (8, 9) is -103.100834320822 + Stats: nIt(DAVIDSON) = 38 +Energy at sites (7, 8) is -106.63027904603 + Stats: nIt(DAVIDSON) = 45 +Energy at sites (6, 7) is -106.779274724873 + Stats: nIt(DAVIDSON) = 54 +Energy at sites (5, 6) is -107.166514737047 + Stats: nIt(DAVIDSON) = 39 +Energy at sites (4, 5) is -107.34531497857 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (3, 4) is -107.34543212393 Stats: nIt(DAVIDSON) = 9 -Energy at sites (2, 3) is -107.346164576754 +Energy at sites (2, 3) is -107.345433136248 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346164576754 +Energy at sites (1, 2) is -107.345433136248 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 1.490301 seconds -*** |--> S.join = 0.008325 seconds -*** |--> S.solve = 1.349949 seconds -*** |--> S.split = 0.017361 seconds -*** |--> Tensor update = 0.114259 seconds -*** |--> create = 0.028915 seconds -*** |--> destroy = 0.002608 seconds -*** |--> disk write = 0.025025 seconds -*** |--> disk read = 0.021657 seconds -*** |--> calc = 0.035968 seconds -*** Disk write bandwidth = 32.7187460976523 MB/s -*** Disk read bandwidth = 37.6396850298474 MB/s -*** Minimum energy = -107.346164576754 +*** Elapsed wall time = 3.15887 seconds +*** |--> S.join = 0.019579 seconds +*** |--> S.solve = 2.869959 seconds +*** |--> S.split = 0.0685600000000001 seconds +*** |--> Tensor update = 0.200124 seconds +*** |--> create = 0.031781 seconds +*** |--> destroy = 0.003094 seconds +*** |--> disk write = 0.027921 seconds +*** |--> disk read = 0.027529 seconds +*** |--> calc = 0.10968 seconds +*** Disk write bandwidth = 29.3251180507056 MB/s +*** Disk read bandwidth = 29.6110522972649 MB/s +*** Minimum energy = -107.345433136248 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346164576754 +Energy at sites (0, 1) is -107.345433136248 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346164576754 +Energy at sites (1, 2) is -107.345433136248 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346164576754 +Energy at sites (2, 3) is -107.345433136248 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (3, 4) is -107.345433136888 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.346164578827 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (4, 5) is -107.346164619012 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (5, 6) is -107.346320719507 +Energy at sites (4, 5) is -107.345433170497 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (5, 6) is -107.346319468466 Stats: nIt(DAVIDSON) = 5 -Energy at sites (6, 7) is -107.346325642609 +Energy at sites (6, 7) is -107.346324223825 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346325642609 +Energy at sites (7, 8) is -107.346324223825 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.414976 seconds -*** |--> S.join = 0.008109 seconds -*** |--> S.solve = 0.277947 seconds -*** |--> S.split = 0.015077 seconds -*** |--> Tensor update = 0.113463 seconds -*** |--> create = 0.029144 seconds -*** |--> destroy = 0.002492 seconds -*** |--> disk write = 0.024069 seconds -*** |--> disk read = 0.021142 seconds -*** |--> calc = 0.036532 seconds -*** Disk write bandwidth = 33.8677410233664 MB/s -*** Disk read bandwidth = 38.7279642935271 MB/s -*** Minimum energy = -107.346325642609 +*** Elapsed wall time = 0.800579 seconds +*** |--> S.join = 0.021869 seconds +*** |--> S.solve = 0.505303 seconds +*** |--> S.split = 0.065636 seconds +*** |--> Tensor update = 0.207272 seconds +*** |--> create = 0.040647 seconds +*** |--> destroy = 0.003574 seconds +*** |--> disk write = 0.030317 seconds +*** |--> disk read = 0.02528 seconds +*** |--> calc = 0.107316 seconds +*** Disk write bandwidth = 26.8879723815485 MB/s +*** Disk read bandwidth = 32.3887112774426 MB/s +*** Minimum energy = -107.346324223825 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.346325642609 +*** Energy difference with respect to previous leftright sweep = 107.346324223825 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.346325642609 +Energy at sites (8, 9) is -107.346324223825 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346325642609 +Energy at sites (7, 8) is -107.346324223825 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346325642609 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (5, 6) is -107.346325647449 +Energy at sites (6, 7) is -107.346324223825 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (5, 6) is -107.346324227479 Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.346326078279 +Energy at sites (4, 5) is -107.346325988526 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.346326107997 +Energy at sites (3, 4) is -107.346326102409 Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.34632610803 +Energy at sites (2, 3) is -107.34632610255 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.34632610803 +Energy at sites (1, 2) is -107.34632610255 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.390423 seconds -*** |--> S.join = 0.018703 seconds -*** |--> S.solve = 0.199065 seconds -*** |--> S.split = 0.018027 seconds -*** |--> Tensor update = 0.154223 seconds -*** |--> create = 0.03014 seconds -*** |--> destroy = 0.00278 seconds -*** |--> disk write = 0.02487 seconds -*** |--> disk read = 0.021691 seconds -*** |--> calc = 0.074659 seconds -*** Disk write bandwidth = 32.9226626897366 MB/s -*** Disk read bandwidth = 37.5806859384725 MB/s -*** Minimum energy = -107.34632610803 +*** Elapsed wall time = 0.632615 seconds +*** |--> S.join = 0.025471 seconds +*** |--> S.solve = 0.354425 seconds +*** |--> S.split = 0.058535 seconds +*** |--> Tensor update = 0.193577 seconds +*** |--> create = 0.038003 seconds +*** |--> destroy = 0.005044 seconds +*** |--> disk write = 0.027695 seconds +*** |--> disk read = 0.03322 seconds +*** |--> calc = 0.089507 seconds +*** Disk write bandwidth = 29.5644203319643 MB/s +*** Disk read bandwidth = 24.5383100147925 MB/s +*** Minimum energy = -107.34632610255 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.34632610803 +Energy at sites (0, 1) is -107.34632610255 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.34632610803 +Energy at sites (1, 2) is -107.34632610255 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326108029 +Energy at sites (2, 3) is -107.34632610255 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.34632610803 +Energy at sites (3, 4) is -107.34632610255 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.34632610805 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.346326114863 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346326114863 +Energy at sites (4, 5) is -107.346326102595 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (5, 6) is -107.346326114719 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (6, 7) is -107.346326114899 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326114863 +Energy at sites (7, 8) is -107.346326114899 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.241918 seconds -*** |--> S.join = 0.009699 seconds -*** |--> S.solve = 0.094264 seconds -*** |--> S.split = 0.016008 seconds -*** |--> Tensor update = 0.121497 seconds -*** |--> create = 0.029946 seconds -*** |--> destroy = 0.002832 seconds -*** |--> disk write = 0.028425 seconds -*** |--> disk read = 0.025119 seconds -*** |--> calc = 0.035074 seconds -*** Disk write bandwidth = 28.6776660929255 MB/s -*** Disk read bandwidth = 32.5963064251662 MB/s -*** Minimum energy = -107.346326114863 +*** Elapsed wall time = 0.526119 seconds +*** |--> S.join = 0.025398 seconds +*** |--> S.solve = 0.252752 seconds +*** |--> S.split = 0.0634950000000001 seconds +*** |--> Tensor update = 0.183927 seconds +*** |--> create = 0.033269 seconds +*** |--> destroy = 0.003532 seconds +*** |--> disk write = 0.029996 seconds +*** |--> disk read = 0.026047 seconds +*** |--> calc = 0.090955 seconds +*** Disk write bandwidth = 27.1757120513204 MB/s +*** Disk read bandwidth = 31.4349683684781 MB/s +*** Minimum energy = -107.346326114899 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 4.72254583883114e-07 +*** Energy difference with respect to previous leftright sweep = 1.89107436199265e-06 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 2128 -*** Minimum energy encountered during all instructions = -107.346326114863 -*** Minimum energy encountered during the last sweep = -107.346326114863 +*** Minimum energy encountered during all instructions = -107.346326114899 +*** Minimum energy encountered during the last sweep = -107.346326114899 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.346326114865 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -107.346326114875 +Energy at sites (8, 9) is -107.346326114903 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (7, 8) is -107.346326114906 Stats: nIt(DAVIDSON) = 13 -Energy at sites (6, 7) is -107.346326114882 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (5, 6) is -107.346326114886 - Stats: nIt(DAVIDSON) = 12 +Energy at sites (6, 7) is -107.346326114907 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (5, 6) is -107.346326114929 + Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.34632611502 Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -107.346326115022 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (2, 3) is -107.346326115022 +Energy at sites (3, 4) is -107.346326115023 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (2, 3) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115021 +Energy at sites (1, 2) is -107.346326115024 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.635159 seconds -*** |--> S.join = 0.008146 seconds -*** |--> S.solve = 0.496469 seconds -*** |--> S.split = 0.015451 seconds -*** |--> Tensor update = 0.11467 seconds -*** |--> create = 0.028912 seconds -*** |--> destroy = 0.002523 seconds -*** |--> disk write = 0.024887 seconds -*** |--> disk read = 0.022046 seconds -*** |--> calc = 0.036195 seconds -*** Disk write bandwidth = 32.9001736285511 MB/s -*** Disk read bandwidth = 36.9755356387284 MB/s -*** Minimum energy = -107.346326115022 +*** Elapsed wall time = 1.428134 seconds +*** |--> S.join = 0.026101 seconds +*** |--> S.solve = 1.099594 seconds +*** |--> S.split = 0.091 seconds +*** |--> Tensor update = 0.210865 seconds +*** |--> create = 0.030939 seconds +*** |--> destroy = 0.003585 seconds +*** |--> disk write = 0.036757 seconds +*** |--> disk read = 0.028278 seconds +*** |--> calc = 0.111186 seconds +*** Disk write bandwidth = 22.2756650731493 MB/s +*** Disk read bandwidth = 28.8267437121227 MB/s +*** Minimum energy = -107.346326115024 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326115022 +Energy at sites (0, 1) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115022 +Energy at sites (1, 2) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326115022 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.346326115022 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.346326115021 - Stats: nIt(DAVIDSON) = 15 -Energy at sites (5, 6) is -107.346326115025 +Energy at sites (2, 3) is -107.346326115024 Stats: nIt(DAVIDSON) = 7 -Energy at sites (6, 7) is -107.346326115024 +Energy at sites (3, 4) is -107.346326115024 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (4, 5) is -107.346326115024 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (5, 6) is -107.346326115024 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (6, 7) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326115025 +Energy at sites (7, 8) is -107.346326115024 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.43772 seconds -*** |--> S.join = 0.008255 seconds -*** |--> S.solve = 0.296803 seconds -*** |--> S.split = 0.015713 seconds -*** |--> Tensor update = 0.116531 seconds -*** |--> create = 0.029729 seconds -*** |--> destroy = 0.002708 seconds -*** |--> disk write = 0.026392 seconds -*** |--> disk read = 0.023028 seconds -*** |--> calc = 0.034578 seconds -*** Disk write bandwidth = 30.8867330513567 MB/s -*** Disk read bandwidth = 35.5561325818026 MB/s +*** Elapsed wall time = 0.965317 seconds +*** |--> S.join = 0.016663 seconds +*** |--> S.solve = 0.689773 seconds +*** |--> S.split = 0.04755 seconds +*** |--> Tensor update = 0.210806 seconds +*** |--> create = 0.035656 seconds +*** |--> destroy = 0.002835 seconds +*** |--> disk write = 0.028312 seconds +*** |--> disk read = 0.029583 seconds +*** |--> calc = 0.114302 seconds +*** Disk write bandwidth = 28.7921255542316 MB/s +*** Disk read bandwidth = 27.6776060945053 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.61037405632669e-10 +*** Energy difference with respect to previous leftright sweep = 1.2519763004093e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346326115025 - Stats: nIt(DAVIDSON) = 6 +Energy at sites (6, 7) is -107.346326115024 + Stats: nIt(DAVIDSON) = 5 Energy at sites (5, 6) is -107.346326115024 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -107.346326115025 - Stats: nIt(DAVIDSON) = 7 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (4, 5) is -107.346326115024 + Stats: nIt(DAVIDSON) = 8 Energy at sites (3, 4) is -107.346326115025 Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.346326115024 +Energy at sites (2, 3) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115024 +Energy at sites (1, 2) is -107.346326115025 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 0.333403 seconds -*** |--> S.join = 0.007996 seconds -*** |--> S.solve = 0.19428 seconds -*** |--> S.split = 0.016074 seconds -*** |--> Tensor update = 0.114632 seconds -*** |--> create = 0.028833 seconds -*** |--> destroy = 0.002771 seconds -*** |--> disk write = 0.026349 seconds -*** |--> disk read = 0.02385 seconds -*** |--> calc = 0.03274 seconds -*** Disk write bandwidth = 31.0746753612566 MB/s -*** Disk read bandwidth = 34.1787278277319 MB/s +*** Elapsed wall time = 0.677579 seconds +*** |--> S.join = 0.013457 seconds +*** |--> S.solve = 0.405931 seconds +*** |--> S.split = 0.054696 seconds +*** |--> Tensor update = 0.202894 seconds +*** |--> create = 0.030921 seconds +*** |--> destroy = 0.002894 seconds +*** |--> disk write = 0.027624 seconds +*** |--> disk read = 0.030608 seconds +*** |--> calc = 0.110745 seconds +*** Disk write bandwidth = 29.6404076561595 MB/s +*** Disk read bandwidth = 26.632339868381 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326115024 +Energy at sites (0, 1) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115024 +Energy at sites (1, 2) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326115024 +Energy at sites (2, 3) is -107.346326115025 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.346326115025 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.346326115024 - Stats: nIt(DAVIDSON) = 9 +Energy at sites (4, 5) is -107.346326115025 + Stats: nIt(DAVIDSON) = 10 Energy at sites (5, 6) is -107.346326115025 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -107.346326115024 @@ -2873,21 +2887,21 @@ Energy at sites (7, 8) is -107.346326115025 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 0.288643 seconds -*** |--> S.join = 0.007733 seconds -*** |--> S.solve = 0.156333 seconds -*** |--> S.split = 0.014936 seconds -*** |--> Tensor update = 0.109288 seconds -*** |--> create = 0.029322 seconds -*** |--> destroy = 0.0026 seconds -*** |--> disk write = 0.024778 seconds -*** |--> disk read = 0.020953 seconds -*** |--> calc = 0.031532 seconds -*** Disk write bandwidth = 32.8986463270404 MB/s -*** Disk read bandwidth = 39.0772978138572 MB/s +*** Elapsed wall time = 0.747214 seconds +*** |--> S.join = 0.023129 seconds +*** |--> S.solve = 0.476678 seconds +*** |--> S.split = 0.063658 seconds +*** |--> Tensor update = 0.183234 seconds +*** |--> create = 0.032547 seconds +*** |--> destroy = 0.002923 seconds +*** |--> disk write = 0.033917 seconds +*** |--> disk read = 0.029229 seconds +*** |--> calc = 0.084495 seconds +*** Disk write bandwidth = 24.03404365632 MB/s +*** Disk read bandwidth = 28.0128167605375 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 0 +*** Energy difference with respect to previous leftright sweep = 2.8421709430404e-13 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2901,52 +2915,52 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115024 - NOON of irrep Ag = [ 1.99999018535371 , 1.99292175276822 , 1.03221285680335 ]. - NOON of irrep B2g = [ 1.02415310258978 ]. - NOON of irrep B3g = [ 0.0896934287815375 ]. - NOON of irrep B1u = [ 1.99999295584654 , 1.95039154288761 , 0.0159495095164793 ]. - NOON of irrep B2u = [ 1.91962159296415 ]. - NOON of irrep B3u = [ 1.97507307248861 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322991877807 , 0.0447141467369867 , 0.838966994268934 , 0.790658960214999 , 0.317368561167649 , 9.24989500802055e-05 , 0.227634117150018 , 0.090742458416431 , 0.299652804869707 , 0.133979296977595 ]. - Idistance(0) = 1.57215407903969 - Idistance(1) = 5.15805448325078 - Idistance(2) = 21.9866409887529 + Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115025 + NOON of irrep Ag = [ 1.99999018535381 , 1.99292175285481 , 1.03221285667223 ]. + NOON of irrep B2g = [ 1.02415310259809 ]. + NOON of irrep B3g = [ 0.0896934287734609 ]. + NOON of irrep B1u = [ 1.99999295584655 , 1.95039154291039 , 0.0159495095511378 ]. + NOON of irrep B2u = [ 1.91962159297532 ]. + NOON of irrep B3u = [ 1.97507307246422 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322990160728 , 0.044714146218685 , 0.838966994832543 , 0.790658960343824 , 0.317368561202781 , 9.2498950096359e-05 , 0.227634117069239 , 0.090742458617846 , 0.299652804894995 , 0.133979297084817 ]. + Idistance(0) = 1.57215407923546 + Idistance(1) = 5.15805448335249 + Idistance(2) = 21.9866409853145 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.337431 seconds -*** |--> MPS gauge change = 0.03534 seconds -*** |--> Diagram calc = 0.02466 seconds -*** |--> Tensor update = 0.275933 seconds -*** |--> create = 0.067947 seconds -*** |--> destroy = 0.006783 seconds -*** |--> disk write = 0.058248 seconds -*** |--> disk read = 0.051162 seconds -*** |--> calc = 0.091446 seconds -*** Disk write bandwidth = 28.5136963276234 MB/s -*** Disk read bandwidth = 32.4628783802706 MB/s +*** Elapsed wall time = 0.583029 seconds +*** |--> MPS gauge change = 0.110287 seconds +*** |--> Diagram calc = 0.040574 seconds +*** |--> Tensor update = 0.430258 seconds +*** |--> create = 0.091352 seconds +*** |--> destroy = 0.010757 seconds +*** |--> disk write = 0.067013 seconds +*** |--> disk read = 0.0701100000000001 seconds +*** |--> calc = 0.190525 seconds +*** Disk write bandwidth = 24.7842326666678 MB/s +*** Disk read bandwidth = 23.6894278090344 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1182 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.06982421875 MB memory. -FCI::matvec : Wall time = 1.20107 seconds -FCI::matvec : Wall time = 1.250839 seconds -FCI::matvec : Wall time = 1.22762 seconds -FCI::matvec : Wall time = 1.264455 seconds -FCI::matvec : Wall time = 4.179275 seconds -FCI::matvec : Wall time = 5.08967 seconds -FCI::matvec : Wall time = 5.874651 seconds -FCI::matvec : Wall time = 5.45775 seconds -FCI::matvec : Wall time = 5.835246 seconds -FCI::matvec : Wall time = 5.763413 seconds -FCI::matvec : Wall time = 5.782747 seconds -FCI::matvec : Wall time = 5.594611 seconds -FCI::matvec : Wall time = 5.655915 seconds -FCI::matvec : Wall time = 4.126752 seconds -FCI::matvec : Wall time = 2.726253 seconds -FCI::matvec : Wall time = 1.308228 seconds -FCI::matvec : Wall time = 1.232053 seconds -FCI::matvec : Wall time = 1.393994 seconds +FCI::matvec : Wall time = 5.262915 seconds +FCI::matvec : Wall time = 5.370455 seconds +FCI::matvec : Wall time = 4.555333 seconds +FCI::matvec : Wall time = 4.167582 seconds +FCI::matvec : Wall time = 4.491064 seconds +FCI::matvec : Wall time = 5.374141 seconds +FCI::matvec : Wall time = 4.933312 seconds +FCI::matvec : Wall time = 4.918045 seconds +FCI::matvec : Wall time = 5.395163 seconds +FCI::matvec : Wall time = 5.034698 seconds +FCI::matvec : Wall time = 5.807368 seconds +FCI::matvec : Wall time = 6.046317 seconds +FCI::matvec : Wall time = 5.851364 seconds +FCI::matvec : Wall time = 6.288451 seconds +FCI::matvec : Wall time = 5.053942 seconds +FCI::matvec : Wall time = 5.857862 seconds +FCI::matvec : Wall time = 6.189181 seconds +FCI::matvec : Wall time = 5.200095 seconds FCI::GSDavidson : Converged ground state energy = -107.346326115024 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 Info on DMRG::operators rm call to system: 0 @@ -2968,177 +2982,177 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. + Stats: nIt(DAVIDSON) = 15 +Energy at sites (8, 9) is -102.888282042815 + Stats: nIt(DAVIDSON) = 29 +Energy at sites (7, 8) is -106.605165268969 + Stats: nIt(DAVIDSON) = 40 +Energy at sites (6, 7) is -106.951354663983 + Stats: nIt(DAVIDSON) = 64 +Energy at sites (5, 6) is -107.185713125927 + Stats: nIt(DAVIDSON) = 42 +Energy at sites (4, 5) is -107.189274758434 + Stats: nIt(DAVIDSON) = 36 +Energy at sites (3, 4) is -107.199540796446 Stats: nIt(DAVIDSON) = 12 -Energy at sites (8, 9) is -103.984419479919 - Stats: nIt(DAVIDSON) = 24 -Energy at sites (7, 8) is -106.503379728093 - Stats: nIt(DAVIDSON) = 45 -Energy at sites (6, 7) is -106.9505781773 - Stats: nIt(DAVIDSON) = 57 -Energy at sites (5, 6) is -107.179395473734 - Stats: nIt(DAVIDSON) = 46 -Energy at sites (4, 5) is -107.189130325292 - Stats: nIt(DAVIDSON) = 31 -Energy at sites (3, 4) is -107.199415968661 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (2, 3) is -107.199440409529 +Energy at sites (2, 3) is -107.199562451547 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199440409529 +Energy at sites (1, 2) is -107.199562451547 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 2.331964 seconds -*** |--> S.join = 0.012418 seconds -*** |--> S.solve = 2.141294 seconds -*** |--> S.split = 0.035938 seconds -*** |--> Tensor update = 0.141837 seconds -*** |--> create = 0.028786 seconds -*** |--> destroy = 0.003413 seconds -*** |--> disk write = 0.026599 seconds -*** |--> disk read = 0.022956 seconds -*** |--> calc = 0.059992 seconds -*** Disk write bandwidth = 31.6244555826523 MB/s -*** Disk read bandwidth = 36.4852296410797 MB/s -*** Minimum energy = -107.199440409529 +*** Elapsed wall time = 3.665079 seconds +*** |--> S.join = 0.017075 seconds +*** |--> S.solve = 3.38436 seconds +*** |--> S.split = 0.062867 seconds +*** |--> Tensor update = 0.2001 seconds +*** |--> create = 0.03112 seconds +*** |--> destroy = 0.003048 seconds +*** |--> disk write = 0.037292 seconds +*** |--> disk read = 0.036669 seconds +*** |--> calc = 0.091849 seconds +*** Disk write bandwidth = 22.5565508431559 MB/s +*** Disk read bandwidth = 22.8409537113263 MB/s +*** Minimum energy = -107.199562451547 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199440409529 +Energy at sites (0, 1) is -107.199562451547 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199440409529 +Energy at sites (1, 2) is -107.199562451547 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199440409529 +Energy at sites (2, 3) is -107.199562451547 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.199440415222 +Energy at sites (3, 4) is -107.199562456818 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.199449570975 - Stats: nIt(DAVIDSON) = 21 -Energy at sites (5, 6) is -107.199616470382 +Energy at sites (4, 5) is -107.199571855732 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (5, 6) is -107.199616778152 Stats: nIt(DAVIDSON) = 6 -Energy at sites (6, 7) is -107.199617034146 +Energy at sites (6, 7) is -107.199617351857 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617034146 +Energy at sites (7, 8) is -107.199617351857 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.583419 seconds -*** |--> S.join = 0.011906 seconds -*** |--> S.solve = 0.396728 seconds -*** |--> S.split = 0.021861 seconds -*** |--> Tensor update = 0.152504 seconds -*** |--> create = 0.029257 seconds -*** |--> destroy = 0.002581 seconds -*** |--> disk write = 0.026459 seconds -*** |--> disk read = 0.021673 seconds -*** |--> calc = 0.072446 seconds -*** Disk write bandwidth = 31.654821861772 MB/s -*** Disk read bandwidth = 38.8122961308065 MB/s -*** Minimum energy = -107.199617034146 +*** Elapsed wall time = 0.941387 seconds +*** |--> S.join = 0.02569 seconds +*** |--> S.solve = 0.635206 seconds +*** |--> S.split = 0.04958 seconds +*** |--> Tensor update = 0.230363 seconds +*** |--> create = 0.038798 seconds +*** |--> destroy = 0.003111 seconds +*** |--> disk write = 0.035524 seconds +*** |--> disk read = 0.043963 seconds +*** |--> calc = 0.108835 seconds +*** Disk write bandwidth = 23.5771571793893 MB/s +*** Disk read bandwidth = 19.1337919169067 MB/s +*** Minimum energy = -107.199617351857 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.199617034146 +*** Energy difference with respect to previous leftright sweep = 107.199617351857 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.199617034146 +Energy at sites (8, 9) is -107.199617351857 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617034146 +Energy at sites (7, 8) is -107.199617351857 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617034147 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -107.199617035326 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.199617359554 +Energy at sites (6, 7) is -107.199617351857 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (5, 6) is -107.199617352205 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (4, 5) is -107.1996173716 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.199617420244 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.199617420352 +Energy at sites (3, 4) is -107.199617419795 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (2, 3) is -107.199617421655 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617420352 +Energy at sites (1, 2) is -107.199617421655 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.374152 seconds -*** |--> S.join = 0.011128 seconds -*** |--> S.solve = 0.225575 seconds -*** |--> S.split = 0.025918 seconds -*** |--> Tensor update = 0.111122 seconds -*** |--> create = 0.028847 seconds -*** |--> destroy = 0.002408 seconds -*** |--> disk write = 0.023875 seconds -*** |--> disk read = 0.021915 seconds -*** |--> calc = 0.033995 seconds -*** Disk write bandwidth = 35.2326238342605 MB/s -*** Disk read bandwidth = 38.2183404809776 MB/s -*** Minimum energy = -107.199617420352 +*** Elapsed wall time = 0.621249 seconds +*** |--> S.join = 0.027349 seconds +*** |--> S.solve = 0.337489 seconds +*** |--> S.split = 0.06017 seconds +*** |--> Tensor update = 0.195664 seconds +*** |--> create = 0.034785 seconds +*** |--> destroy = 0.00306 seconds +*** |--> disk write = 0.028135 seconds +*** |--> disk read = 0.027694 seconds +*** |--> calc = 0.10187 seconds +*** Disk write bandwidth = 29.8979525161887 MB/s +*** Disk read bandwidth = 30.2431910031279 MB/s +*** Minimum energy = -107.199617421655 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199617420352 +Energy at sites (0, 1) is -107.199617421655 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617420352 +Energy at sites (1, 2) is -107.199617421655 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199617420352 +Energy at sites (2, 3) is -107.199617421655 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.199617420352 +Energy at sites (3, 4) is -107.199617421655 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.199617420402 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.199617421854 +Energy at sites (4, 5) is -107.199617421727 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (5, 6) is -107.199617421887 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617421855 +Energy at sites (6, 7) is -107.199617421887 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617421854 +Energy at sites (7, 8) is -107.199617421887 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.232352 seconds -*** |--> S.join = 0.010584 seconds -*** |--> S.solve = 0.093479 seconds -*** |--> S.split = 0.023888 seconds -*** |--> Tensor update = 0.104006 seconds -*** |--> create = 0.028872 seconds -*** |--> destroy = 0.002349 seconds -*** |--> disk write = 0.023883 seconds -*** |--> disk read = 0.01934 seconds -*** |--> calc = 0.029486 seconds -*** Disk write bandwidth = 35.0690839358801 MB/s -*** Disk read bandwidth = 43.4942551211463 MB/s -*** Minimum energy = -107.199617421855 +*** Elapsed wall time = 0.482139 seconds +*** |--> S.join = 0.01393 seconds +*** |--> S.solve = 0.203955 seconds +*** |--> S.split = 0.061118 seconds +*** |--> Tensor update = 0.202557 seconds +*** |--> create = 0.032198 seconds +*** |--> destroy = 0.008407 seconds +*** |--> disk write = 0.029292 seconds +*** |--> disk read = 0.032341 seconds +*** |--> calc = 0.100169 seconds +*** Disk write bandwidth = 28.5932995917187 MB/s +*** Disk read bandwidth = 26.009674841315 MB/s +*** Minimum energy = -107.199617421887 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 3.87707899562884e-07 +*** Energy difference with respect to previous leftright sweep = 7.0030267806942e-08 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 2254 -*** Minimum energy encountered during all instructions = -107.199617421855 -*** Minimum energy encountered during the last sweep = -107.199617421855 +*** Minimum energy encountered during all instructions = -107.199617421887 +*** Minimum energy encountered during the last sweep = -107.199617421887 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.19961742187 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (7, 8) is -107.199617421881 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (6, 7) is -107.199617421901 - Stats: nIt(DAVIDSON) = 24 -Energy at sites (5, 6) is -107.199617421909 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -107.199617421915 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -107.199617421918 Stats: nIt(DAVIDSON) = 9 +Energy at sites (8, 9) is -107.199617421899 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (7, 8) is -107.199617421906 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (6, 7) is -107.199617421913 + Stats: nIt(DAVIDSON) = 22 +Energy at sites (5, 6) is -107.199617421915 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -107.199617421916 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (3, 4) is -107.199617421919 + Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421919 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.706486 seconds -*** |--> S.join = 0.006548 seconds -*** |--> S.solve = 0.581117 seconds -*** |--> S.split = 0.015606 seconds -*** |--> Tensor update = 0.102838 seconds -*** |--> create = 0.028324 seconds -*** |--> destroy = 0.002617 seconds -*** |--> disk write = 0.023716 seconds -*** |--> disk read = 0.020253 seconds -*** |--> calc = 0.027859 seconds -*** Disk write bandwidth = 35.4688351342119 MB/s -*** Disk read bandwidth = 41.3546107559683 MB/s +*** Elapsed wall time = 1.662791 seconds +*** |--> S.join = 0.025646 seconds +*** |--> S.solve = 1.358822 seconds +*** |--> S.split = 0.05915 seconds +*** |--> Tensor update = 0.218555 seconds +*** |--> create = 0.032979 seconds +*** |--> destroy = 0.003111 seconds +*** |--> disk write = 0.033689 seconds +*** |--> disk read = 0.04189 seconds +*** |--> calc = 0.106755 seconds +*** Disk write bandwidth = 24.9689481445863 MB/s +*** Disk read bandwidth = 19.9941497168925 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 ****************************************************************** @@ -3148,33 +3162,33 @@ Energy at sites (1, 2) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421919 - Stats: nIt(DAVIDSON) = 6 + Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617421919 - Stats: nIt(DAVIDSON) = 8 + Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -107.199617421919 - Stats: nIt(DAVIDSON) = 19 + Stats: nIt(DAVIDSON) = 16 Energy at sites (5, 6) is -107.199617421919 - Stats: nIt(DAVIDSON) = 10 + Stats: nIt(DAVIDSON) = 8 Energy at sites (6, 7) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421919 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.485835 seconds -*** |--> S.join = 0.006981 seconds -*** |--> S.solve = 0.350883 seconds -*** |--> S.split = 0.017149 seconds -*** |--> Tensor update = 0.110438 seconds -*** |--> create = 0.031261 seconds -*** |--> destroy = 0.00246 seconds -*** |--> disk write = 0.026476 seconds -*** |--> disk read = 0.02198 seconds -*** |--> calc = 0.028179 seconds -*** Disk write bandwidth = 31.6344965871214 MB/s -*** Disk read bandwidth = 38.2701953613726 MB/s +*** Elapsed wall time = 0.994418 seconds +*** |--> S.join = 0.037004 seconds +*** |--> S.solve = 0.684028 seconds +*** |--> S.split = 0.050531 seconds +*** |--> Tensor update = 0.222278 seconds +*** |--> create = 0.038247 seconds +*** |--> destroy = 0.006426 seconds +*** |--> disk write = 0.030256 seconds +*** |--> disk read = 0.039755 seconds +*** |--> calc = 0.107468 seconds +*** Disk write bandwidth = 27.6822756359276 MB/s +*** Disk read bandwidth = 21.1590716650225 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 6.43751718598651e-11 +*** Energy difference with respect to previous leftright sweep = 3.20312665280653e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3188,55 +3202,55 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421918 - NOON of irrep Ag = [ 1.99998814651145 , 1.98924041565769 , 1.87687858059721 ]. - NOON of irrep B2g = [ 0.139387811124629 ]. - NOON of irrep B3g = [ 1.03112739647647 ]. - NOON of irrep B1u = [ 1.9999943124415 , 1.1083916400129 , 0.021163695661608 ]. - NOON of irrep B2u = [ 1.96715797407382 ]. - NOON of irrep B3u = [ 1.86667002744272 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149979996339927 , 0.0818410215599125 , 0.449623196361089 , 0.486645055209627 , 0.811029480561185 , 6.68868116936328e-05 , 0.962046612703976 , 0.112095070322363 , 0.167176148296491 , 0.475082460698188 ]. - Idistance(0) = 2.38445939028923 - Idistance(1) = 9.57998272839537 - Idistance(2) = 47.8783646264557 + Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919 + NOON of irrep Ag = [ 1.99998814651057 , 1.98924041567066 , 1.87687857983123 ]. + NOON of irrep B2g = [ 0.139387811416446 ]. + NOON of irrep B3g = [ 1.03112739708436 ]. + NOON of irrep B1u = [ 1.99999431244151 , 1.108391640751 , 0.0211636956966838 ]. + NOON of irrep B2u = [ 1.96715797349313 ]. + NOON of irrep B3u = [ 1.86667002710442 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980008655302 , 0.0818410215561129 , 0.449623198436033 , 0.486645055895149 , 0.811029482218782 , 6.68868115210925e-05 , 0.962046613747678 , 0.112095070404288 , 0.167176150707116 , 0.475082461487203 ]. + Idistance(0) = 2.38445939308931 + Idistance(1) = 9.57998274413346 + Idistance(2) = 47.8783647052005 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.324314 seconds -*** |--> MPS gauge change = 0.041374 seconds -*** |--> Diagram calc = 0.021669 seconds -*** |--> Tensor update = 0.259917 seconds -*** |--> create = 0.06707 seconds -*** |--> destroy = 0.006199 seconds -*** |--> disk write = 0.055553 seconds -*** |--> disk read = 0.048283 seconds -*** |--> calc = 0.082495 seconds -*** Disk write bandwidth = 30.7031182760579 MB/s -*** Disk read bandwidth = 35.3261050388303 MB/s +*** Elapsed wall time = 0.602497 seconds +*** |--> MPS gauge change = 0.13046 seconds +*** |--> Diagram calc = 0.040928 seconds +*** |--> Tensor update = 0.429552 seconds +*** |--> create = 0.074744 seconds +*** |--> destroy = 0.010391 seconds +*** |--> disk write = 0.071715 seconds +*** |--> disk read = 0.066317 seconds +*** |--> calc = 0.205869 seconds +*** Disk write bandwidth = 23.7837318495412 MB/s +*** Disk read bandwidth = 25.7196545318673 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1182 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.06982421875 MB memory. -FCI::matvec : Wall time = 1.349708 seconds -FCI::matvec : Wall time = 1.259728 seconds -FCI::matvec : Wall time = 1.192325 seconds -FCI::matvec : Wall time = 1.19265 seconds -FCI::matvec : Wall time = 1.194906 seconds -FCI::matvec : Wall time = 1.177363 seconds -FCI::matvec : Wall time = 1.148108 seconds -FCI::matvec : Wall time = 1.19696 seconds -FCI::matvec : Wall time = 1.203603 seconds -FCI::matvec : Wall time = 1.262498 seconds -FCI::matvec : Wall time = 1.219818 seconds -FCI::matvec : Wall time = 1.188312 seconds -FCI::matvec : Wall time = 1.216913 seconds -FCI::matvec : Wall time = 1.215127 seconds -FCI::matvec : Wall time = 1.241194 seconds -FCI::matvec : Wall time = 1.30582 seconds -FCI::matvec : Wall time = 1.218769 seconds -FCI::matvec : Wall time = 1.262351 seconds -FCI::matvec : Wall time = 1.265475 seconds -FCI::matvec : Wall time = 1.299337 seconds -FCI::matvec : Wall time = 1.193783 seconds +FCI::matvec : Wall time = 4.390048 seconds +FCI::matvec : Wall time = 4.478416 seconds +FCI::matvec : Wall time = 4.829645 seconds +FCI::matvec : Wall time = 4.622369 seconds +FCI::matvec : Wall time = 4.356458 seconds +FCI::matvec : Wall time = 4.269659 seconds +FCI::matvec : Wall time = 4.483964 seconds +FCI::matvec : Wall time = 4.685659 seconds +FCI::matvec : Wall time = 4.423087 seconds +FCI::matvec : Wall time = 4.345479 seconds +FCI::matvec : Wall time = 4.590273 seconds +FCI::matvec : Wall time = 4.953912 seconds +FCI::matvec : Wall time = 4.557095 seconds +FCI::matvec : Wall time = 3.913583 seconds +FCI::matvec : Wall time = 4.184052 seconds +FCI::matvec : Wall time = 4.361807 seconds +FCI::matvec : Wall time = 3.5466 seconds +FCI::matvec : Wall time = 3.981759 seconds +FCI::matvec : Wall time = 4.3577 seconds +FCI::matvec : Wall time = 3.633674 seconds +FCI::matvec : Wall time = 3.901792 seconds FCI::GSDavidson : Converged ground state energy = -107.199617421919 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 Info on DMRG::operators rm call to system: 0 @@ -3266,8 +3280,8 @@ make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +[ 66%] Built target chemps2-shared [ 67%] Built target chemps2-static -[ 67%] Built target chemps2-shared make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' @@ -3284,34 +3298,34 @@ make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 69%] Built target test1 -[ 71%] Built target test3 +[ 69%] Built target test7 +make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +[ 71%] Built target test1 [ 73%] Built target test2 +[ 76%] Built target test3 +[ 78%] Built target test5 +[ 80%] Built target test4 +[ 82%] Built target test6 +make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 76%] Built target test5 -[ 78%] Built target chemps2-bin make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 80%] Built target test7 make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 82%] Built target test6 -[ 84%] Built target test4 make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make[4]: Entering directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' +[ 84%] Built target chemps2-bin [ 86%] Built target test8 [ 89%] Built target test9 -[ 91%] Built target test10 +[ 91%] Built target test11 [ 93%] Built target test12 -[ 95%] Built target test13 -[ 97%] Built target test11 +[ 95%] Built target test10 +[ 97%] Built target test13 [100%] Built target test14 make[3]: Leaving directory '/build/chemps2-1.8.12/obj-aarch64-linux-gnu' Install the project... @@ -3407,7 +3421,7 @@ dpkg-gensymbols: warning: some new symbols appeared in the symbols file: see diff output below dpkg-gensymbols: warning: debian/libchemps2-3/DEBIAN/symbols doesn't match completely debian/libchemps2-3.symbols --- debian/libchemps2-3.symbols (libchemps2-3_1.8.12-1_arm64) -+++ dpkg-gensymbolskEIKfm 2024-05-12 04:52:22.718872980 -1200 ++++ dpkg-gensymbolscblzUV 2023-04-11 00:48:46.645946191 +1400 @@ -142,12 +142,12 @@ _ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.8.7 _ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.8.7 @@ -3462,24 +3476,24 @@ dh_shlibdeps dh_installdeb dh_gencontrol -dpkg-gencontrol: warning: package libchemps2-3: substitution variable ${python3:Depends} unused, but is defined -dpkg-gencontrol: warning: package chemps2: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: Depends field of package chemps2-doc: substitution variable ${sphinxdoc:Depends} used, but is not defined dpkg-gencontrol: warning: Depends field of package libchemps2-dev: substitution variable ${shlibs:Depends} used, but is not defined +dpkg-gencontrol: warning: package chemps2: substitution variable ${python3:Depends} unused, but is defined +dpkg-gencontrol: warning: package libchemps2-3: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package chemps2-doc: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libchemps2-dev: substitution variable ${python3:Depends} unused, but is defined -dpkg-gencontrol: warning: package libchemps2-3: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package chemps2: substitution variable ${python3:Depends} unused, but is defined +dpkg-gencontrol: warning: package libchemps2-3: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb -dpkg-deb: building package 'libchemps2-3-dbgsym' in '../libchemps2-3-dbgsym_1.8.12-1_arm64.deb'. dpkg-deb: building package 'libchemps2-3' in '../libchemps2-3_1.8.12-1_arm64.deb'. +dpkg-deb: building package 'chemps2' in '../chemps2_1.8.12-1_arm64.deb'. +dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-1_all.deb'. dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.12-1_arm64.deb'. +dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.12-1_arm64.deb'. +dpkg-deb: building package 'libchemps2-3-dbgsym' in '../libchemps2-3-dbgsym_1.8.12-1_arm64.deb'. dpkg-deb: building package 'python3-chemps2-dbgsym' in '../python3-chemps2-dbgsym_1.8.12-1_arm64.deb'. -dpkg-deb: building package 'chemps2' in '../chemps2_1.8.12-1_arm64.deb'. dpkg-deb: building package 'python3-chemps2' in '../python3-chemps2_1.8.12-1_arm64.deb'. -dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.12-1_arm64.deb'. -dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-1_all.deb'. dpkg-genbuildinfo --build=binary -O../chemps2_1.8.12-1_arm64.buildinfo dpkg-genchanges --build=binary -O../chemps2_1.8.12-1_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -3487,12 +3501,14 @@ 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/21664/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/21664/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/23107 and its subdirectories -I: Current time: Sun May 12 04:52:33 -12 2024 -I: pbuilder-time-stamp: 1715532753 +I: removing directory /srv/workspace/pbuilder/21664 and its subdirectories +I: Current time: Tue Apr 11 00:49:03 +14 2023 +I: pbuilder-time-stamp: 1681123743