Diff of the two buildlogs: -- --- b1/build.log 2025-03-17 10:37:22.302415560 +0000 +++ b2/build.log 2025-03-17 10:44:45.266509099 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sun Apr 19 04:27:50 -12 2026 -I: pbuilder-time-stamp: 1776616070 +I: Current time: Tue Mar 18 00:37:25 +14 2025 +I: pbuilder-time-stamp: 1742207845 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -22,52 +22,84 @@ dpkg-source: info: unpacking chemps2_1.8.12-4.debian.tar.xz I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/710814/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/1156108/tmp/hooks/D01_modify_environment starting +debug: Running on codethink04-arm64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Mar 17 10:37 /bin/sh -> /bin/bash +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/1156108/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/1156108/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='arm64' - DEBIAN_FRONTEND='noninteractive' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") + BASH_VERSION='5.2.37(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=arm64 + DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' - DISTRIBUTION='unstable' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - INVOCATION_ID='689db0e87c1f4292acc8a10d79baa8f5' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='710814' - PS1='# ' - PS2='> ' + INVOCATION_ID=b354df790eaa42a7805aa999d6d9a503 + LANG=C + LANGUAGE=nl_BE:nl + LC_ALL=C + MACHTYPE=aarch64-unknown-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=1156108 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.1jDCHwQQ/pbuilderrc_2q9A --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.1jDCHwQQ/b1 --logfile b1/build.log chemps2_1.8.12-4.dsc' - SUDO_GID='109' - SUDO_UID='104' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://192.168.101.4:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.1jDCHwQQ/pbuilderrc_f2ZA --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.1jDCHwQQ/b2 --logfile b2/build.log chemps2_1.8.12-4.dsc' + SUDO_GID=109 + SUDO_UID=104 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://192.168.101.4:3128 I: uname -a - Linux codethink03-arm64 6.1.0-32-cloud-arm64 #1 SMP Debian 6.1.129-1 (2025-03-06) aarch64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-32-cloud-arm64 #1 SMP Debian 6.1.129-1 (2025-03-06) aarch64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/710814/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Mar 4 11:20 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/1156108/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -307,7 +339,7 @@ Get: 172 http://deb.debian.org/debian unstable/main arm64 python3-snowballstemmer all 2.2.0-4 [58.0 kB] Get: 173 http://deb.debian.org/debian unstable/main arm64 sphinx-common all 8.1.3-5 [617 kB] Get: 174 http://deb.debian.org/debian unstable/main arm64 python3-sphinx all 8.1.3-5 [468 kB] -Fetched 102 MB in 1s (83.3 MB/s) +Fetched 102 MB in 1s (104 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.13-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 ... 19898 files and directories currently installed.) @@ -870,8 +902,8 @@ Setting up tzdata (2025a-2) ... Current default time zone: 'Etc/UTC' -Local time is now: Sun Apr 19 16:29:00 UTC 2026. -Universal Time is now: Sun Apr 19 16:29:00 UTC 2026. +Local time is now: Mon Mar 17 10:38:49 UTC 2025. +Universal Time is now: Mon Mar 17 10:38:49 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... @@ -1045,7 +1077,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/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_1.8.12-4_source.changes +I: user script /srv/workspace/pbuilder/1156108/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/1156108/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/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_1.8.12-4_source.changes dpkg-buildpackage: info: source package chemps2 dpkg-buildpackage: info: source version 1.8.12-4 dpkg-buildpackage: info: source distribution unstable @@ -1114,7 +1150,7 @@ -- HDF5 detected. -- Found TargetHDF5: Found HDF5: /usr/lib/aarch64-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/aarch64-linux-gnu/libcrypto.so;/usr/lib/aarch64-linux-gnu/libcurl.so;/usr/lib/aarch64-linux-gnu/libpthread.a;/usr/lib/aarch64-linux-gnu/libsz.so;/usr/lib/aarch64-linux-gnu/libz.so;/usr/lib/aarch64-linux-gnu/libdl.a;/usr/lib/aarch64-linux-gnu/libm.so (found version 1.14.5) (found version "1.14.5") -- Found Sphinx: /usr/bin/sphinx-build --- Configuring done (17.1s) +-- Configuring done (9.5s) -- Generating done (0.2s) CMake Warning: Manually-specified variables were not used by the project: @@ -1141,29 +1177,29 @@ make[4]: Leaving directory '/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o +[ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/CASPT2.cpp +[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o [ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCF.cpp +cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCFdebug.cpp [ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o +cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCFnewtonraphson.cpp [ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCFdebug.cpp [ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCFnewtonraphson.cpp cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCFpt2.cpp [ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/ConjugateGradient.cpp -cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/ConvergenceScheme.cpp [ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o -[ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o -[ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o +cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/ConvergenceScheme.cpp cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/Correlations.cpp +[ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/Cumulant.cpp -[ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o +[ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o +[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o -MF CMakeFiles/chemps2-base.dir/Davidson.cpp.o.d -o CMakeFiles/chemps2-base.dir/Davidson.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Davidson.cpp cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o -MF CMakeFiles/chemps2-base.dir/DIIS.cpp.o.d -o CMakeFiles/chemps2-base.dir/DIIS.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DIIS.cpp +[ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRG.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRG.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRG.cpp [ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGfock.cpp @@ -1179,12 +1215,12 @@ cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFintegrals.cpp [ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFmatrix.cpp -[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -[ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o +[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFoptions.cpp -cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFrotations.cpp -[ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o +[ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o +[ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFunitary.cpp +cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFrotations.cpp [ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFwtilde.cpp [ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o @@ -1202,8 +1238,8 @@ [ 32%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o -MF CMakeFiles/chemps2-base.dir/Heff.cpp.o.d -o CMakeFiles/chemps2-base.dir/Heff.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Heff.cpp [ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -[ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagonal.cpp +[ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams1.cpp [ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams2.cpp @@ -1270,15 +1306,15 @@ make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/build -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 66%] Linking CXX static library libchemps2.a -cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/cmake -P CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake -[ 67%] Linking CXX shared library libchemps2.so +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/build +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +[ 66%] Linking CXX shared library libchemps2.so +[ 67%] Linking CXX static library libchemps2.a cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-shared.dir/link.txt --verbose=1 +cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/CheMPS2 && /usr/bin/cmake -P CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake cd /build/reproducible-path/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" /usr/bin/ranlib libchemps2.a @@ -1296,175 +1332,175 @@ cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake "--color=" make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/depend cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/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[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake "--color=" -make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/depend -make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/depend make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build -cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/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/test6.dir/build.make tests/CMakeFiles/test6.dir/depend +make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/depend [ 68%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/executable.cpp make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/build +cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/CheMPS2/executable.cpp +[ 69%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/build +cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test1.cpp +make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build -[ 69%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o -make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/depend +cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake "--color=" +[ 70%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o +cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test2.cpp +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake "--color=" -cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test1.cpp +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/depend -[ 70%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o +[ 71%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test3.cpp -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/depend +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +[ 72%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test4.cpp make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake "--color=" make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/depend -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake "--color=" -make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/depend +cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test11.dir/DependInfo.cmake "--color=" make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/build -[ 71%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o -cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test2.cpp -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/build -[ 72%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build -cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test4.cpp [ 73%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test5.cpp +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/build [ 75%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test6.cpp make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/build -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/build [ 76%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o +[ 77%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/depend +cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test7.cpp cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test8.cpp -[ 77%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test11.dir/DependInfo.cmake "--color=" [ 78%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o -cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test7.cpp cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test9.cpp -[ 79%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o -cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test11.cpp -[ 80%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o +[ 79%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test10.cpp -[ 81%] Linking CXX executable test4 -cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test4.dir/link.txt --verbose=1 -[ 82%] Linking CXX executable test6 -cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test6.dir/link.txt --verbose=1 -[ 83%] Linking CXX executable test9 -cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test9.dir/link.txt --verbose=1 -[ 84%] Linking CXX executable test2 -cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test2.dir/link.txt --verbose=1 -[ 85%] Linking CXX executable test1 +make[4]: Leaving directory '/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +[ 80%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o +cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test11.cpp +[ 81%] Linking CXX executable test1 cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test1.dir/link.txt --verbose=1 -[ 86%] Linking CXX executable test3 +[ 82%] Linking CXX executable test2 +cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test2.dir/link.txt --verbose=1 +[ 83%] Linking CXX executable test4 +cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test4.dir/link.txt --verbose=1 +[ 84%] Linking CXX executable test3 cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3.dir/link.txt --verbose=1 +[ 85%] Linking CXX executable test5 +cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test5.dir/link.txt --verbose=1 +[ 86%] Linking CXX executable test7 +cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test7.dir/link.txt --verbose=1 [ 88%] Linking CXX executable test11 cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test11.dir/link.txt --verbose=1 [ 89%] Linking CXX executable test10 cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test10.dir/link.txt --verbose=1 -[ 90%] Linking CXX executable test5 -cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test5.dir/link.txt --verbose=1 -[ 91%] Linking CXX executable test7 -cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test7.dir/link.txt --verbose=1 -[ 92%] Linking CXX executable test8 +[ 90%] Linking CXX executable test9 +cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test9.dir/link.txt --verbose=1 +[ 91%] Linking CXX executable test8 cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test8.dir/link.txt --verbose=1 +[ 92%] Linking CXX executable test6 +cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test6.dir/link.txt --verbose=1 +[ 93%] Linking CXX executable chemps2 +cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test4.dir/link.d CMakeFiles/test4.dir/tests/test4.cpp.o -o test4 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 92%] Built target test4 +[ 93%] Built target test4 make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 93%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o +[ 94%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test12.cpp -[ 94%] Linking CXX executable chemps2 -cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test6.dir/link.d CMakeFiles/test6.dir/tests/test6.cpp.o -o test6 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test5.dir/link.d CMakeFiles/test5.dir/tests/test5.cpp.o -o test5 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test2.dir/link.d CMakeFiles/test2.dir/tests/test2.cpp.o -o test2 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 94%] Built target test6 +[ 94%] Built target test5 make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/depend -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test9.dir/link.d CMakeFiles/test9.dir/tests/test9.cpp.o -o test9 -Wl,-rpath,/build/reproducible-path/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]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake "--color=" +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test3.dir/link.d CMakeFiles/test3.dir/tests/test3.cpp.o -o test3 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 94%] Built target test9 -make[4]: Leaving directory '/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +[ 94%] Built target test2 make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/chemps2-1.8.12 /build/reproducible-path/chemps2-1.8.12/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake "--color=" -[ 95%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o -cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test13.cpp make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/build +make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 96%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test3.dir/link.d CMakeFiles/test3.dir/tests/test3.cpp.o -o test3 -Wl,-rpath,/build/reproducible-path/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%] Built target test3 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test9.dir/link.d CMakeFiles/test9.dir/tests/test9.cpp.o -o test9 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test14.cpp -[ 96%] Built target test3 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test1.dir/link.d CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 96%] Built target test1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test2.dir/link.d CMakeFiles/test2.dir/tests/test2.cpp.o -o test2 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test8.dir/link.d CMakeFiles/test8.dir/tests/test8.cpp.o -o test8 -Wl,-rpath,/build/reproducible-path/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 -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/build make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 96%] Built target test2 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test5.dir/link.d CMakeFiles/test5.dir/tests/test5.cpp.o -o test5 -Wl,-rpath,/build/reproducible-path/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%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test13.cpp +[ 95%] Built target test9 +[ 96%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o +[ 95%] Built target test8 +cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests/tests/test14.cpp +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test10.dir/link.d CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 96%] Built target test5 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test11.dir/link.d CMakeFiles/test11.dir/tests/test11.cpp.o -o test11 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test6.dir/link.d CMakeFiles/test6.dir/tests/test6.cpp.o -o test6 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 96%] Built target test11 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test10.dir/link.d CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test1.dir/link.d CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' [ 96%] Built target test10 +[ 96%] Built target test6 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test7.dir/link.d CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 96%] Built target test7 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test8.dir/link.d CMakeFiles/test8.dir/tests/test8.cpp.o -o test8 -Wl,-rpath,/build/reproducible-path/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 +[ 96%] Built target test1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test11.dir/link.d CMakeFiles/test11.dir/tests/test11.cpp.o -o test11 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -[ 96%] Built target test8 +[ 96%] Built target test7 +[ 96%] Built target test11 [ 97%] Linking CXX executable test14 cd /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test14.dir/link.txt --verbose=1 [ 98%] Linking CXX executable test12 @@ -1473,9 +1509,9 @@ cd /build/reproducible-path/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/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test14.dir/link.d CMakeFiles/test14.dir/tests/test14.cpp.o -o test14 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' +[100%] Built target test14 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test12.dir/link.d CMakeFiles/test12.dir/tests/test12.cpp.o -o test12 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' -[100%] Built target test14 [100%] Built target test12 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test13.dir/link.d CMakeFiles/test13.dir/tests/test13.cpp.o -o test13 -Wl,-rpath,/build/reproducible-path/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/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu' @@ -1587,15 +1623,15 @@ cd obj-aarch64-linux-gnu/ && ctest -R "^test3|^test5|^test8" Test project /build/reproducible-path/chemps2-1.8.12/obj-aarch64-linux-gnu Start 3: test3 -1/3 Test #3: test3 ............................ Passed 136.84 sec +1/3 Test #3: test3 ............................ Passed 62.70 sec Start 5: test5 -2/3 Test #5: test5 ............................ Passed 27.80 sec +2/3 Test #5: test5 ............................ Passed 2.57 sec Start 8: test8 -3/3 Test #8: test8 ............................ Passed 136.14 sec +3/3 Test #8: test8 ............................ Passed 8.92 sec 100% tests passed, 0 tests failed out of 3 -Total Test time (real) = 300.80 sec +Total Test time (real) = 74.19 sec cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-aarch64-cpython-313:.. \ LD_LIBRARY_PATH=../../obj-aarch64-linux-gnu/CheMPS2:/usr/lib/aarch64-linux-gnu/hdf5/serial \ python3 test1.py @@ -1619,116 +1655,116 @@ 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) = 11 -Energy at sites (8, 9) is -98.8401010809018 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (7, 8) is -106.852576841009 - Stats: nIt(DAVIDSON) = 61 -Energy at sites (6, 7) is -106.875241169957 - Stats: nIt(DAVIDSON) = 62 -Energy at sites (5, 6) is -106.906341691891 - Stats: nIt(DAVIDSON) = 42 -Energy at sites (4, 5) is -107.632360932865 - Stats: nIt(DAVIDSON) = 27 -Energy at sites (3, 4) is -107.647972216511 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (8, 9) is -101.430059732046 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (7, 8) is -106.853448167958 + Stats: nIt(DAVIDSON) = 58 +Energy at sites (6, 7) is -106.881083304205 + Stats: nIt(DAVIDSON) = 77 +Energy at sites (5, 6) is -106.907904441031 + Stats: nIt(DAVIDSON) = 44 +Energy at sites (4, 5) is -107.635033489632 + Stats: nIt(DAVIDSON) = 30 +Energy at sites (3, 4) is -107.648019744206 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.647972216511 +Energy at sites (2, 3) is -107.648019744206 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.647972216511 +Energy at sites (1, 2) is -107.648019744206 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 3.431215 seconds -*** |--> S.join = 0.037631 seconds -*** |--> S.solve = 3.048803 seconds -*** |--> S.split = 0.134222 seconds -*** |--> Tensor update = 0.209534 seconds -*** |--> create = 0.010081 seconds -*** |--> destroy = 0.000845 seconds -*** |--> disk write = 0.006477 seconds -*** |--> disk read = 0.00478 seconds -*** |--> calc = 0.187303 seconds -*** Disk write bandwidth = 90.4678691035346 MB/s -*** Disk read bandwidth = 123.00084325559 MB/s -*** Minimum energy = -107.647972216511 +*** Elapsed wall time = 0.484049 seconds +*** |--> S.join = 0.004607 seconds +*** |--> S.solve = 0.42195 seconds +*** |--> S.split = 0.012147 seconds +*** |--> Tensor update = 0.044523 seconds +*** |--> create = 0.013576 seconds +*** |--> destroy = 0.001233 seconds +*** |--> disk write = 0.006988 seconds +*** |--> disk read = 0.006899 seconds +*** |--> calc = 0.015784 seconds +*** Disk write bandwidth = 83.8523738099018 MB/s +*** Disk read bandwidth = 85.2216307815218 MB/s +*** Minimum energy = -107.648019744206 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.647972216511 +Energy at sites (0, 1) is -107.648019744206 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.647972216511 +Energy at sites (1, 2) is -107.648019744206 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.647972216511 +Energy at sites (2, 3) is -107.648019744206 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.647972216511 +Energy at sites (3, 4) is -107.648019744206 Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -107.648000686962 +Energy at sites (4, 5) is -107.648037336341 Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.648250461018 +Energy at sites (5, 6) is -107.648250510706 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250461018 +Energy at sites (6, 7) is -107.648250510706 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250461018 +Energy at sites (7, 8) is -107.648250510706 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.863731 seconds -*** |--> S.join = 0.056543 seconds -*** |--> S.solve = 0.477168 seconds -*** |--> S.split = 0.123378 seconds -*** |--> Tensor update = 0.204873 seconds -*** |--> create = 0.010143 seconds -*** |--> destroy = 0.000915 seconds -*** |--> disk write = 0.006323 seconds -*** |--> disk read = 0.004793 seconds -*** |--> calc = 0.18265 seconds -*** Disk write bandwidth = 92.984980351371 MB/s -*** Disk read bandwidth = 122.253367031837 MB/s -*** Minimum energy = -107.648250461018 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.648250461018 +*** Elapsed wall time = 0.092979 seconds +*** |--> S.join = 0.002899 seconds +*** |--> S.solve = 0.045253 seconds +*** |--> S.split = 0.008114 seconds +*** |--> Tensor update = 0.036118 seconds +*** |--> create = 0.01022 seconds +*** |--> destroy = 0.001198 seconds +*** |--> disk write = 0.006253 seconds +*** |--> disk read = 0.004943 seconds +*** |--> calc = 0.013471 seconds +*** Disk write bandwidth = 94.0259124838827 MB/s +*** Disk read bandwidth = 118.543473231559 MB/s +*** Minimum energy = -107.648250510706 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.648250510706 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.648250461018 +Energy at sites (8, 9) is -107.648250510706 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250461018 +Energy at sites (7, 8) is -107.648250510706 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250461018 +Energy at sites (6, 7) is -107.648250510706 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.648250461018 +Energy at sites (5, 6) is -107.648250510706 Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.648250864519 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.648250972225 +Energy at sites (4, 5) is -107.648250904238 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -107.648250972784 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250972225 +Energy at sites (2, 3) is -107.648250972784 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250972225 +Energy at sites (1, 2) is -107.648250972784 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.801871 seconds -*** |--> S.join = 0.045284 seconds -*** |--> S.solve = 0.440259 seconds -*** |--> S.split = 0.1189 seconds -*** |--> Tensor update = 0.196395 seconds -*** |--> create = 0.010268 seconds -*** |--> destroy = 0.000881 seconds -*** |--> disk write = 0.00619 seconds -*** |--> disk read = 0.004881 seconds -*** |--> calc = 0.174125 seconds -*** Disk write bandwidth = 94.662421354377 MB/s -*** Disk read bandwidth = 120.455650637517 MB/s -*** Minimum energy = -107.648250972225 +*** Elapsed wall time = 0.090782 seconds +*** |--> S.join = 0.005055 seconds +*** |--> S.solve = 0.03728 seconds +*** |--> S.split = 0.009331 seconds +*** |--> Tensor update = 0.038538 seconds +*** |--> create = 0.011168 seconds +*** |--> destroy = 0.001239 seconds +*** |--> disk write = 0.006516 seconds +*** |--> disk read = 0.005733 seconds +*** |--> calc = 0.013842 seconds +*** Disk write bandwidth = 89.9263947488634 MB/s +*** Disk read bandwidth = 102.554339920063 MB/s +*** Minimum energy = -107.648250972784 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.648250972225 +Energy at sites (0, 1) is -107.648250972784 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250972225 +Energy at sites (1, 2) is -107.648250972784 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250972225 +Energy at sites (2, 3) is -107.648250972784 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648250972225 +Energy at sites (3, 4) is -107.648250972784 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.64825097229 +Energy at sites (4, 5) is -107.648250972819 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.648250974001 Stats: nIt(DAVIDSON) = 1 @@ -1737,21 +1773,21 @@ Energy at sites (7, 8) is -107.648250974001 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.70773 seconds -*** |--> S.join = 0.050487 seconds -*** |--> S.solve = 0.325116 seconds -*** |--> S.split = 0.127234 seconds -*** |--> Tensor update = 0.203979 seconds -*** |--> create = 0.010234 seconds -*** |--> destroy = 0.000951 seconds -*** |--> disk write = 0.006456 seconds -*** |--> disk read = 0.004916 seconds -*** |--> calc = 0.181375 seconds -*** Disk write bandwidth = 91.0693975777136 MB/s -*** Disk read bandwidth = 119.194546009681 MB/s +*** Elapsed wall time = 0.088322 seconds +*** |--> S.join = 0.003815 seconds +*** |--> S.solve = 0.032513 seconds +*** |--> S.split = 0.010685 seconds +*** |--> Tensor update = 0.040985 seconds +*** |--> create = 0.011988 seconds +*** |--> destroy = 0.001257 seconds +*** |--> disk write = 0.006586 seconds +*** |--> disk read = 0.005494 seconds +*** |--> calc = 0.015621 seconds +*** Disk write bandwidth = 89.2717933133493 MB/s +*** Disk read bandwidth = 106.654602872878 MB/s *** Minimum energy = -107.648250974001 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.12982296640985e-07 +*** Energy difference with respect to previous leftright sweep = 4.63295037889111e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 @@ -1765,67 +1801,67 @@ Stats: nIt(DAVIDSON) = 8 Energy at sites (7, 8) is -107.648250974002 Stats: nIt(DAVIDSON) = 10 -Energy at sites (6, 7) is -107.648250974005 +Energy at sites (6, 7) is -107.648250974004 Stats: nIt(DAVIDSON) = 9 -Energy at sites (5, 6) is -107.648250974005 +Energy at sites (5, 6) is -107.648250974004 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.648250974007 +Energy at sites (4, 5) is -107.648250974008 Stats: nIt(DAVIDSON) = 12 -Energy at sites (3, 4) is -107.648250974013 +Energy at sites (3, 4) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250974014 +Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250974014 +Energy at sites (1, 2) is -107.648250974013 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 1.290771 seconds -*** |--> S.join = 0.046054 seconds -*** |--> S.solve = 0.913434 seconds -*** |--> S.split = 0.130568 seconds -*** |--> Tensor update = 0.199209 seconds -*** |--> create = 0.010219 seconds -*** |--> destroy = 0.000963 seconds -*** |--> disk write = 0.006462 seconds -*** |--> disk read = 0.004906 seconds -*** |--> calc = 0.176606 seconds -*** Disk write bandwidth = 90.6778687996895 MB/s -*** Disk read bandwidth = 119.841832605324 MB/s +*** Elapsed wall time = 0.166978 seconds +*** |--> S.join = 0.007468 seconds +*** |--> S.solve = 0.108486 seconds +*** |--> S.split = 0.009756 seconds +*** |--> Tensor update = 0.04047 seconds +*** |--> create = 0.010093 seconds +*** |--> destroy = 0.001155 seconds +*** |--> disk write = 0.006003 seconds +*** |--> disk read = 0.004894 seconds +*** |--> calc = 0.01829 seconds +*** Disk write bandwidth = 97.6112590677318 MB/s +*** Disk read bandwidth = 120.135682623972 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.648250974014 +Energy at sites (0, 1) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250974014 +Energy at sites (1, 2) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250974014 +Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250974013 - Stats: nIt(DAVIDSON) = 8 + Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.648250974014 Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.648250974013 +Energy at sites (5, 6) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250974013 +Energy at sites (7, 8) is -107.648250974014 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.83226 seconds -*** |--> S.join = 0.042562 seconds -*** |--> S.solve = 0.458381 seconds -*** |--> S.split = 0.118858 seconds -*** |--> Tensor update = 0.210979 seconds -*** |--> create = 0.010137 seconds -*** |--> destroy = 0.000928 seconds -*** |--> disk write = 0.006347 seconds -*** |--> disk read = 0.004862 seconds -*** |--> calc = 0.188645 seconds -*** Disk write bandwidth = 92.6333749427633 MB/s -*** Disk read bandwidth = 120.518385064499 MB/s +*** Elapsed wall time = 0.10171 seconds +*** |--> S.join = 0.003562 seconds +*** |--> S.solve = 0.050803 seconds +*** |--> S.split = 0.009543 seconds +*** |--> Tensor update = 0.03698 seconds +*** |--> create = 0.010203 seconds +*** |--> destroy = 0.001171 seconds +*** |--> disk write = 0.006133 seconds +*** |--> disk read = 0.005028 seconds +*** |--> calc = 0.014405 seconds +*** Disk write bandwidth = 95.8656498877741 MB/s +*** Disk read bandwidth = 116.539456679315 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.28181909531122e-11 +*** Energy difference with respect to previous leftright sweep = 1.23066001833649e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -1840,51 +1876,51 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974014 - NOON of irrep Ag = [ 1.99999530444298 , 1.994879941237 , 1.98267954068813 ]. - NOON of irrep B2g = [ 0.074871552243155 ]. - NOON of irrep B3g = [ 0.0748715522826478 ]. - NOON of irrep B1u = [ 1.9999968183922 , 1.9865824271459 , 0.0188079712646699 ]. - NOON of irrep B2u = [ 1.93365744615753 ]. - NOON of irrep B3u = [ 1.93365744614581 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009426014119 , 0.0515866770274732 , 0.0764971088842272 , 0.257716818848535 , 0.257716818912572 , 8.47155300052857e-05 , 0.0462800403846782 , 0.100736303638604 , 0.241506019661479 , 0.241506019693077 ]. - Idistance(0) = 1.30939331128593 - Idistance(1) = 5.42402999361622 - Idistance(2) = 26.7355487889381 + NOON of irrep Ag = [ 1.99999530444287 , 1.99487994127805 , 1.98267954070375 ]. + NOON of irrep B2g = [ 0.0748715521710861 ]. + NOON of irrep B3g = [ 0.0748715524139054 ]. + NOON of irrep B1u = [ 1.9999968183922 , 1.98658242710789 , 0.0188079712696007 ]. + NOON of irrep B2u = [ 1.93365744610579 ]. + NOON of irrep B3u = [ 1.93365744611486 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.0001310094275994 , 0.0515866774119045 , 0.0764971084354053 , 0.257716818752554 , 0.257716819127661 , 8.47155300865079e-05 , 0.0462800404833988 , 0.100736303575677 , 0.241506019735871 , 0.241506019789388 ]. + Idistance(0) = 1.30939331136269 + Idistance(1) = 5.42402999566436 + Idistance(2) = 26.7355487997364 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.862737 seconds -*** |--> MPS gauge change = 0.301357 seconds -*** |--> Diagram calc = 0.065613 seconds -*** |--> Tensor update = 0.494063 seconds -*** |--> create = 0.023157 seconds -*** |--> destroy = 0.00307 seconds -*** |--> disk write = 0.015262 seconds -*** |--> disk read = 0.011427 seconds -*** |--> calc = 0.440965 seconds -*** Disk write bandwidth = 78.0125836559961 MB/s -*** Disk read bandwidth = 104.194281242479 MB/s +*** Elapsed wall time = 0.133103 seconds +*** |--> MPS gauge change = 0.024763 seconds +*** |--> Diagram calc = 0.008457 seconds +*** |--> Tensor update = 0.098855 seconds +*** |--> create = 0.024568 seconds +*** |--> destroy = 0.003285 seconds +*** |--> disk write = 0.01523 seconds +*** |--> disk read = 0.01276 seconds +*** |--> calc = 0.042869 seconds +*** Disk write bandwidth = 78.1764971607231 MB/s +*** Disk read bandwidth = 93.3094084449696 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 = 13.50583 seconds -FCI::matvec : Wall time = 11.299951 seconds -FCI::matvec : Wall time = 13.330638 seconds -FCI::matvec : Wall time = 13.49883 seconds -FCI::matvec : Wall time = 13.251324 seconds -FCI::matvec : Wall time = 12.53493 seconds -FCI::matvec : Wall time = 13.384259 seconds -FCI::matvec : Wall time = 13.207807 seconds -FCI::matvec : Wall time = 13.039186 seconds -FCI::matvec : Wall time = 13.460054 seconds -FCI::matvec : Wall time = 13.403677 seconds -FCI::matvec : Wall time = 13.459487 seconds -FCI::matvec : Wall time = 13.50401 seconds -FCI::matvec : Wall time = 8.445937 seconds -FCI::matvec : Wall time = 12.732439 seconds -FCI::matvec : Wall time = 13.516388 seconds -FCI::matvec : Wall time = 11.63561 seconds -FCI::matvec : Wall time = 11.020587 seconds +FCI::matvec : Wall time = 0.757915 seconds +FCI::matvec : Wall time = 0.71809 seconds +FCI::matvec : Wall time = 0.715201 seconds +FCI::matvec : Wall time = 0.724313 seconds +FCI::matvec : Wall time = 0.721496 seconds +FCI::matvec : Wall time = 0.72314 seconds +FCI::matvec : Wall time = 0.729634 seconds +FCI::matvec : Wall time = 0.737823 seconds +FCI::matvec : Wall time = 0.714921 seconds +FCI::matvec : Wall time = 0.72195 seconds +FCI::matvec : Wall time = 0.711226 seconds +FCI::matvec : Wall time = 0.791375 seconds +FCI::matvec : Wall time = 0.806024 seconds +FCI::matvec : Wall time = 0.777024 seconds +FCI::matvec : Wall time = 0.746349 seconds +FCI::matvec : Wall time = 0.713573 seconds +FCI::matvec : Wall time = 0.713589 seconds +FCI::matvec : Wall time = 0.714858 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974013 FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = 9.01638279344655e-19 and intended S(S+1) = 0 Info on DMRG::operators rm call to system: 0 @@ -1906,177 +1942,177 @@ 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) = 16 -Energy at sites (8, 9) is -104.402725859932 - Stats: nIt(DAVIDSON) = 48 -Energy at sites (7, 8) is -106.343030694377 - Stats: nIt(DAVIDSON) = 37 -Energy at sites (6, 7) is -106.447519876645 - Stats: nIt(DAVIDSON) = 60 -Energy at sites (5, 6) is -107.318438407563 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (8, 9) is -100.984521511584 Stats: nIt(DAVIDSON) = 45 -Energy at sites (4, 5) is -107.325625059994 +Energy at sites (7, 8) is -106.323354588849 + Stats: nIt(DAVIDSON) = 39 +Energy at sites (6, 7) is -106.397596712145 + Stats: nIt(DAVIDSON) = 60 +Energy at sites (5, 6) is -107.317934115864 + Stats: nIt(DAVIDSON) = 47 +Energy at sites (4, 5) is -107.325599803773 Stats: nIt(DAVIDSON) = 22 -Energy at sites (3, 4) is -107.328763731955 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (2, 3) is -107.328764840037 +Energy at sites (3, 4) is -107.328763150351 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (2, 3) is -107.328764864323 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328764840037 +Energy at sites (1, 2) is -107.328764864323 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 3.999558 seconds -*** |--> S.join = 0.045263 seconds -*** |--> S.solve = 3.608908 seconds -*** |--> S.split = 0.12757 seconds -*** |--> Tensor update = 0.215989 seconds -*** |--> create = 0.011508 seconds -*** |--> destroy = 0.001014 seconds -*** |--> disk write = 0.006443 seconds -*** |--> disk read = 0.005187 seconds -*** |--> calc = 0.191785 seconds -*** Disk write bandwidth = 131.123039675447 MB/s -*** Disk read bandwidth = 162.17501103269 MB/s -*** Minimum energy = -107.328764840037 +*** Elapsed wall time = 0.393779 seconds +*** |--> S.join = 0.002817 seconds +*** |--> S.solve = 0.345471 seconds +*** |--> S.split = 0.006802 seconds +*** |--> Tensor update = 0.037984 seconds +*** |--> create = 0.012101 seconds +*** |--> destroy = 0.001259 seconds +*** |--> disk write = 0.006381 seconds +*** |--> disk read = 0.00548 seconds +*** |--> calc = 0.01272 seconds +*** Disk write bandwidth = 132.397076418885 MB/s +*** Disk read bandwidth = 153.503974858862 MB/s +*** Minimum energy = -107.328764864323 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328764840037 +Energy at sites (0, 1) is -107.328764864323 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328764840037 +Energy at sites (1, 2) is -107.328764864323 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328764840037 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.328764841084 +Energy at sites (2, 3) is -107.328764864323 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.328764866625 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.328767350157 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.328768890808 +Energy at sites (4, 5) is -107.328767086574 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (5, 6) is -107.32876889211 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768890808 +Energy at sites (6, 7) is -107.32876889211 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768890808 +Energy at sites (7, 8) is -107.32876889211 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.955047 seconds -*** |--> S.join = 0.052276 seconds -*** |--> S.solve = 0.550627 seconds -*** |--> S.split = 0.134096 seconds -*** |--> Tensor update = 0.21669 seconds -*** |--> create = 0.011887 seconds -*** |--> destroy = 0.001026 seconds -*** |--> disk write = 0.006454 seconds -*** |--> disk read = 0.005176 seconds -*** |--> calc = 0.192094 seconds -*** Disk write bandwidth = 130.338051166186 MB/s -*** Disk read bandwidth = 163.219811558908 MB/s -*** Minimum energy = -107.328768890808 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.328768890808 +*** Elapsed wall time = 0.092923 seconds +*** |--> S.join = 0.00248 seconds +*** |--> S.solve = 0.046168 seconds +*** |--> S.split = 0.007343 seconds +*** |--> Tensor update = 0.036393 seconds +*** |--> create = 0.011911 seconds +*** |--> destroy = 0.00127 seconds +*** |--> disk write = 0.006427 seconds +*** |--> disk read = 0.005235 seconds +*** |--> calc = 0.01151 seconds +*** Disk write bandwidth = 130.885604827534 MB/s +*** Disk read bandwidth = 161.380275955856 MB/s +*** Minimum energy = -107.32876889211 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.32876889211 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.328768890808 +Energy at sites (8, 9) is -107.32876889211 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768890808 +Energy at sites (7, 8) is -107.32876889211 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768890808 +Energy at sites (6, 7) is -107.32876889211 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768890808 +Energy at sites (5, 6) is -107.32876889211 Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.328768891014 +Energy at sites (4, 5) is -107.328768892476 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.328768897986 +Energy at sites (3, 4) is -107.328768897995 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768897986 +Energy at sites (2, 3) is -107.328768897995 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897986 +Energy at sites (1, 2) is -107.328768897995 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.807082 seconds -*** |--> S.join = 0.046231 seconds -*** |--> S.solve = 0.406419 seconds -*** |--> S.split = 0.138213 seconds -*** |--> Tensor update = 0.214455 seconds -*** |--> create = 0.011542 seconds -*** |--> destroy = 0.001054 seconds -*** |--> disk write = 0.006458 seconds -*** |--> disk read = 0.005151 seconds -*** |--> calc = 0.190202 seconds -*** Disk write bandwidth = 130.81848012216 MB/s -*** Disk read bandwidth = 163.30844151166 MB/s -*** Minimum energy = -107.328768897986 +*** Elapsed wall time = 0.081916 seconds +*** |--> S.join = 0.002919 seconds +*** |--> S.solve = 0.031449 seconds +*** |--> S.split = 0.008034 seconds +*** |--> Tensor update = 0.038812 seconds +*** |--> create = 0.011748 seconds +*** |--> destroy = 0.001389 seconds +*** |--> disk write = 0.006762 seconds +*** |--> disk read = 0.005866 seconds +*** |--> calc = 0.013008 seconds +*** Disk write bandwidth = 124.937258892178 MB/s +*** Disk read bandwidth = 143.402963216257 MB/s +*** Minimum energy = -107.328768897995 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328768897986 +Energy at sites (0, 1) is -107.328768897995 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897986 +Energy at sites (1, 2) is -107.328768897995 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768897986 +Energy at sites (2, 3) is -107.328768897995 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.328768897986 +Energy at sites (3, 4) is -107.328768897995 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.328768898016 +Energy at sites (4, 5) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768898016 +Energy at sites (5, 6) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768898016 +Energy at sites (6, 7) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768898016 +Energy at sites (7, 8) is -107.328768898019 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.747047 seconds -*** |--> S.join = 0.042086 seconds -*** |--> S.solve = 0.357697 seconds -*** |--> S.split = 0.119266 seconds -*** |--> Tensor update = 0.226334 seconds -*** |--> create = 0.011881 seconds -*** |--> destroy = 0.001068 seconds -*** |--> disk write = 0.006453 seconds -*** |--> disk read = 0.005176 seconds -*** |--> calc = 0.20171 seconds -*** Disk write bandwidth = 130.358249221535 MB/s -*** Disk read bandwidth = 163.219811558908 MB/s -*** Minimum energy = -107.328768898016 +*** Elapsed wall time = 0.087388 seconds +*** |--> S.join = 0.003209 seconds +*** |--> S.solve = 0.030678 seconds +*** |--> S.split = 0.009151 seconds +*** |--> Tensor update = 0.043537 seconds +*** |--> create = 0.013811 seconds +*** |--> destroy = 0.001354 seconds +*** |--> disk write = 0.007169 seconds +*** |--> disk read = 0.006283 seconds +*** |--> calc = 0.014879 seconds +*** Disk write bandwidth = 117.338789541995 MB/s +*** Disk read bandwidth = 134.462158941414 MB/s +*** Minimum energy = -107.328768898019 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 7.20754655958444e-09 +*** Energy difference with respect to previous leftright sweep = 5.90907234254701e-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 = -107.328768898016 -*** Minimum energy encountered during the last sweep = -107.328768898016 +*** Minimum energy encountered during all instructions = -107.328768898019 +*** Minimum energy encountered during the last sweep = -107.328768898019 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.328768898017 +Energy at sites (8, 9) is -107.32876889802 Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -107.328768898023 +Energy at sites (7, 8) is -107.328768898025 Stats: nIt(DAVIDSON) = 14 -Energy at sites (6, 7) is -107.328768898029 +Energy at sites (6, 7) is -107.32876889803 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.32876889803 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.328768898029 +Energy at sites (4, 5) is -107.32876889803 Stats: nIt(DAVIDSON) = 14 Energy at sites (3, 4) is -107.32876889803 - Stats: nIt(DAVIDSON) = 11 + 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 = 1.827438 seconds -*** |--> S.join = 0.054001 seconds -*** |--> S.solve = 1.450174 seconds -*** |--> S.split = 0.119895 seconds -*** |--> Tensor update = 0.20165 seconds -*** |--> create = 0.011695 seconds -*** |--> destroy = 0.001076 seconds -*** |--> disk write = 0.00685 seconds -*** |--> disk read = 0.005852 seconds -*** |--> calc = 0.176123 seconds -*** Disk write bandwidth = 123.332225493271 MB/s -*** Disk read bandwidth = 143.746032506248 MB/s +*** Elapsed wall time = 0.189791 seconds +*** |--> S.join = 0.003358 seconds +*** |--> S.solve = 0.138214 seconds +*** |--> S.split = 0.008286 seconds +*** |--> Tensor update = 0.039298 seconds +*** |--> create = 0.011899 seconds +*** |--> destroy = 0.001361 seconds +*** |--> disk write = 0.006683 seconds +*** |--> disk read = 0.0056 seconds +*** |--> calc = 0.013706 seconds +*** Disk write bandwidth = 126.414147034102 MB/s +*** Disk read bandwidth = 150.214603969029 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 ****************************************************************** @@ -2085,7 +2121,7 @@ Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768898032 +Energy at sites (2, 3) is -107.328768898033 Stats: nIt(DAVIDSON) = 10 Energy at sites (3, 4) is -107.328768898033 Stats: nIt(DAVIDSON) = 8 @@ -2098,21 +2134,21 @@ Energy at sites (7, 8) is -107.328768898033 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 1.070453 seconds -*** |--> S.join = 0.046989 seconds -*** |--> S.solve = 0.695347 seconds -*** |--> S.split = 0.116993 seconds -*** |--> Tensor update = 0.209624 seconds -*** |--> create = 0.011895 seconds -*** |--> destroy = 0.001041 seconds -*** |--> disk write = 0.006309 seconds -*** |--> disk read = 0.005182 seconds -*** |--> calc = 0.185149 seconds -*** Disk write bandwidth = 133.333615822882 MB/s -*** Disk read bandwidth = 163.030826829198 MB/s +*** Elapsed wall time = 0.116971 seconds +*** |--> S.join = 0.003172 seconds +*** |--> S.solve = 0.062849 seconds +*** |--> S.split = 0.008902 seconds +*** |--> Tensor update = 0.041442 seconds +*** |--> create = 0.012411 seconds +*** |--> destroy = 0.001319 seconds +*** |--> disk write = 0.006837 seconds +*** |--> disk read = 0.005684 seconds +*** |--> calc = 0.015156 seconds +*** Disk write bandwidth = 123.036680155999 MB/s +*** Disk read bandwidth = 148.63225626828 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.68256519827992e-11 +*** Energy difference with respect to previous leftright sweep = 1.33582034322899e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2126,51 +2162,51 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898033 - NOON of irrep Ag = [ 1.99999672241041 , 1.99571463015842 , 1.98497373603505 ]. - NOON of irrep B2g = [ 0.538989905099751 ]. - NOON of irrep B3g = [ 0.538989904976351 ]. - NOON of irrep B1u = [ 1.99999702947249 , 1.99149890562692 , 0.0194690668391245 ]. - NOON of irrep B2u = [ 1.46518504975304 ]. - NOON of irrep B3u = [ 1.46518504962845 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862741692388 , 0.0587089374016465 , 0.0554792810183944 , 1.11957630006586 , 1.11957630000061 , 8.52797481988574e-05 , 0.0421718621293874 , 0.105000352896978 , 1.11261995849259 , 1.11261995855954 ]. - Idistance(0) = 4.60188108188428 - Idistance(1) = 17.7825010795456 - Idistance(2) = 85.6947708204715 + Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898032 + NOON of irrep Ag = [ 1.99999672241059 , 1.99571463015852 , 1.98497373603064 ]. + NOON of irrep B2g = [ 0.538989905089051 ]. + NOON of irrep B3g = [ 0.538989904986911 ]. + NOON of irrep B1u = [ 1.99999702947247 , 1.99149890562556 , 0.0194690668443634 ]. + NOON of irrep B2u = [ 1.46518504974251 ]. + NOON of irrep B3u = [ 1.46518504963937 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.00010586274066318 , 0.0587089373787651 , 0.0554792810520801 , 1.11957630006076 , 1.11957630000602 , 8.52797482447296e-05 , 0.0421718621392948 , 0.105000352913802 , 1.11261995849792 , 1.11261995855413 ]. + Idistance(0) = 4.60188108193548 + Idistance(1) = 17.7825010796821 + Idistance(2) = 85.6947708207199 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.886115 seconds -*** |--> MPS gauge change = 0.303439 seconds -*** |--> Diagram calc = 0.079025 seconds -*** |--> Tensor update = 0.501933 seconds -*** |--> create = 0.035248 seconds -*** |--> destroy = 0.003296 seconds -*** |--> disk write = 0.015225 seconds -*** |--> disk read = 0.012134 seconds -*** |--> calc = 0.43584 seconds -*** Disk write bandwidth = 112.508639130491 MB/s -*** Disk read bandwidth = 141.168949296334 MB/s +*** Elapsed wall time = 0.154774 seconds +*** |--> MPS gauge change = 0.024162 seconds +*** |--> Diagram calc = 0.008817 seconds +*** |--> Tensor update = 0.12097 seconds +*** |--> create = 0.035708 seconds +*** |--> destroy = 0.003473 seconds +*** |--> disk write = 0.017666 seconds +*** |--> disk read = 0.015265 seconds +*** |--> calc = 0.048691 seconds +*** Disk write bandwidth = 96.9627550527408 MB/s +*** Disk read bandwidth = 112.213824484882 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 = 13.664172 seconds -FCI::matvec : Wall time = 10.27892 seconds -FCI::matvec : Wall time = 13.249444 seconds -FCI::matvec : Wall time = 13.703079 seconds -FCI::matvec : Wall time = 13.680751 seconds -FCI::matvec : Wall time = 13.563039 seconds -FCI::matvec : Wall time = 13.360092 seconds -FCI::matvec : Wall time = 11.443992 seconds -FCI::matvec : Wall time = 13.3112 seconds -FCI::matvec : Wall time = 13.420341 seconds -FCI::matvec : Wall time = 13.263835 seconds -FCI::matvec : Wall time = 12.903243 seconds -FCI::matvec : Wall time = 13.452293 seconds -FCI::matvec : Wall time = 13.419686 seconds -FCI::matvec : Wall time = 13.531305 seconds -FCI::matvec : Wall time = 13.479811 seconds -FCI::matvec : Wall time = 12.843543 seconds +FCI::matvec : Wall time = 0.764653 seconds +FCI::matvec : Wall time = 0.720451 seconds +FCI::matvec : Wall time = 0.714133 seconds +FCI::matvec : Wall time = 0.713879 seconds +FCI::matvec : Wall time = 0.7147 seconds +FCI::matvec : Wall time = 0.715566 seconds +FCI::matvec : Wall time = 0.714977 seconds +FCI::matvec : Wall time = 0.718476 seconds +FCI::matvec : Wall time = 0.717928 seconds +FCI::matvec : Wall time = 0.718043 seconds +FCI::matvec : Wall time = 0.716225 seconds +FCI::matvec : Wall time = 0.715197 seconds +FCI::matvec : Wall time = 0.718405 seconds +FCI::matvec : Wall time = 0.714859 seconds +FCI::matvec : Wall time = 0.716586 seconds +FCI::matvec : Wall time = 0.719071 seconds +FCI::matvec : Wall time = 0.717873 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 @@ -2192,177 +2228,177 @@ 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) = 14 -Energy at sites (8, 9) is -103.179725775373 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (7, 8) is -105.669512399948 - Stats: nIt(DAVIDSON) = 28 -Energy at sites (6, 7) is -106.994529751576 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (5, 6) is -106.994774812412 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (8, 9) is -105.34872322027 + Stats: nIt(DAVIDSON) = 20 +Energy at sites (7, 8) is -106.983831887187 + Stats: nIt(DAVIDSON) = 20 +Energy at sites (6, 7) is -106.994561539167 + Stats: nIt(DAVIDSON) = 20 +Energy at sites (5, 6) is -106.995806694123 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (4, 5) is -106.997891184818 Stats: nIt(DAVIDSON) = 16 -Energy at sites (4, 5) is -106.997047139484 - Stats: nIt(DAVIDSON) = 21 -Energy at sites (3, 4) is -106.999343416466 +Energy at sites (3, 4) is -106.999782289076 Stats: nIt(DAVIDSON) = 13 -Energy at sites (2, 3) is -107.007870603645 +Energy at sites (2, 3) is -107.007876833547 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007870603645 +Energy at sites (1, 2) is -107.007876833547 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 2.055496 seconds -*** |--> S.join = 0.056949 seconds -*** |--> S.solve = 1.658885 seconds -*** |--> S.split = 0.133248 seconds -*** |--> Tensor update = 0.204191 seconds -*** |--> create = 0.00939 seconds -*** |--> destroy = 0.001121 seconds -*** |--> disk write = 0.006133 seconds -*** |--> disk read = 0.005009 seconds -*** |--> calc = 0.182494 seconds -*** Disk write bandwidth = 31.8424281455089 MB/s -*** Disk read bandwidth = 38.7714589325152 MB/s -*** Minimum energy = -107.007870603645 +*** Elapsed wall time = 0.172274 seconds +*** |--> S.join = 0.00281 seconds +*** |--> S.solve = 0.127767 seconds +*** |--> S.split = 0.006791 seconds +*** |--> Tensor update = 0.034007 seconds +*** |--> create = 0.01043 seconds +*** |--> destroy = 0.001285 seconds +*** |--> disk write = 0.006198 seconds +*** |--> disk read = 0.005048 seconds +*** |--> calc = 0.011005 seconds +*** Disk write bandwidth = 31.5084885150704 MB/s +*** Disk read bandwidth = 38.4719171539162 MB/s +*** Minimum energy = -107.007876833547 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007870603645 +Energy at sites (0, 1) is -107.007876833547 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007870603645 +Energy at sites (1, 2) is -107.007876833547 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007870603645 +Energy at sites (2, 3) is -107.007876833547 Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.007871131367 +Energy at sites (3, 4) is -107.007877057027 Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -107.007874214649 +Energy at sites (4, 5) is -107.007880050858 Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -107.007920307821 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.007920308029 +Energy at sites (5, 6) is -107.007920319743 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (6, 7) is -107.007920324479 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920308029 +Energy at sites (7, 8) is -107.007920324479 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 1.015 seconds -*** |--> S.join = 0.073451 seconds -*** |--> S.solve = 0.613967 seconds -*** |--> S.split = 0.120227 seconds -*** |--> Tensor update = 0.205949 seconds -*** |--> create = 0.009583 seconds -*** |--> destroy = 0.001169 seconds -*** |--> disk write = 0.006063 seconds -*** |--> disk read = 0.004949 seconds -*** |--> calc = 0.184142 seconds -*** Disk write bandwidth = 32.0313768419873 MB/s -*** Disk read bandwidth = 39.4604186333413 MB/s -*** Minimum energy = -107.007920308029 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.007920308029 +*** Elapsed wall time = 0.086862 seconds +*** |--> S.join = 0.002209 seconds +*** |--> S.solve = 0.046361 seconds +*** |--> S.split = 0.006407 seconds +*** |--> Tensor update = 0.031321 seconds +*** |--> create = 0.009343 seconds +*** |--> destroy = 0.001272 seconds +*** |--> disk write = 0.005838 seconds +*** |--> disk read = 0.00486 seconds +*** |--> calc = 0.009976 seconds +*** Disk write bandwidth = 33.2658851992067 MB/s +*** Disk read bandwidth = 40.183047698849 MB/s +*** Minimum energy = -107.007920324479 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.007920324479 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.007920308029 +Energy at sites (8, 9) is -107.007920324479 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920308029 +Energy at sites (7, 8) is -107.007920324479 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920308029 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.007920308029 +Energy at sites (6, 7) is -107.007920324479 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (5, 6) is -107.007920324554 Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.007920324357 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.007920403596 +Energy at sites (4, 5) is -107.007920356374 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.007920400783 Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -107.007920596673 +Energy at sites (2, 3) is -107.007920596607 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596673 +Energy at sites (1, 2) is -107.007920596607 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.838272 seconds -*** |--> S.join = 0.048128 seconds -*** |--> S.solve = 0.432882 seconds -*** |--> S.split = 0.139142 seconds -*** |--> Tensor update = 0.214935 seconds -*** |--> create = 0.009343 seconds -*** |--> destroy = 0.001163 seconds -*** |--> disk write = 0.006093 seconds -*** |--> disk read = 0.004981 seconds -*** |--> calc = 0.193301 seconds -*** Disk write bandwidth = 32.0514708380775 MB/s -*** Disk read bandwidth = 38.9894073063579 MB/s -*** Minimum energy = -107.007920596673 +*** Elapsed wall time = 0.074865 seconds +*** |--> S.join = 0.002418 seconds +*** |--> S.solve = 0.030738 seconds +*** |--> S.split = 0.006915 seconds +*** |--> Tensor update = 0.034135 seconds +*** |--> create = 0.010082 seconds +*** |--> destroy = 0.001337 seconds +*** |--> disk write = 0.005822 seconds +*** |--> disk read = 0.005034 seconds +*** |--> calc = 0.011822 seconds +*** Disk write bandwidth = 33.5433891817943 MB/s +*** Disk read bandwidth = 38.5789109640383 MB/s +*** Minimum energy = -107.007920596607 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007920596673 +Energy at sites (0, 1) is -107.007920596607 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596673 +Energy at sites (1, 2) is -107.007920596607 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007920596673 +Energy at sites (2, 3) is -107.007920596607 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -107.007920596788 +Energy at sites (3, 4) is -107.007920596716 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.007920596847 +Energy at sites (4, 5) is -107.007920596755 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.007920599397 +Energy at sites (5, 6) is -107.007920599388 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920599397 +Energy at sites (6, 7) is -107.007920599388 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920599397 +Energy at sites (7, 8) is -107.007920599388 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.738465 seconds -*** |--> S.join = 0.040675 seconds -*** |--> S.solve = 0.361965 seconds -*** |--> S.split = 0.124736 seconds -*** |--> Tensor update = 0.209263 seconds -*** |--> create = 0.009521 seconds -*** |--> destroy = 0.001172 seconds -*** |--> disk write = 0.006075 seconds -*** |--> disk read = 0.004932 seconds -*** |--> calc = 0.187512 seconds -*** Disk write bandwidth = 31.9681049864969 MB/s -*** Disk read bandwidth = 39.5964338638293 MB/s -*** Minimum energy = -107.007920599397 +*** Elapsed wall time = 0.069185 seconds +*** |--> S.join = 0.002835 seconds +*** |--> S.solve = 0.02377 seconds +*** |--> S.split = 0.008108 seconds +*** |--> Tensor update = 0.034092 seconds +*** |--> create = 0.009462 seconds +*** |--> destroy = 0.001261 seconds +*** |--> disk write = 0.006033 seconds +*** |--> disk read = 0.00495 seconds +*** |--> calc = 0.012344 seconds +*** Disk write bandwidth = 32.1906576815794 MB/s +*** Disk read bandwidth = 39.4524468315972 MB/s +*** Minimum energy = -107.007920599388 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.91367797444764e-07 +*** Energy difference with respect to previous leftright sweep = 2.74908842357036e-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 = -107.007920599397 -*** Minimum energy encountered during the last sweep = -107.007920599397 +*** Minimum energy encountered during all instructions = -107.007920599388 +*** Minimum energy encountered during the last sweep = -107.007920599388 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.007920599397 +Energy at sites (8, 9) is -107.007920599398 Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -107.007920599399 +Energy at sites (7, 8) is -107.0079205994 Stats: nIt(DAVIDSON) = 14 Energy at sites (6, 7) is -107.007920599402 Stats: nIt(DAVIDSON) = 12 Energy at sites (5, 6) is -107.007920599402 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (4, 5) is -107.007920599403 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.007920599402 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (3, 4) is -107.007920599402 +Energy at sites (3, 4) is -107.007920599403 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 = 1.502658 seconds -*** |--> S.join = 0.045883 seconds -*** |--> S.solve = 1.117568 seconds -*** |--> S.split = 0.130778 seconds -*** |--> Tensor update = 0.206946 seconds -*** |--> create = 0.00942 seconds -*** |--> destroy = 0.001233 seconds -*** |--> disk write = 0.006188 seconds -*** |--> disk read = 0.005255 seconds -*** |--> calc = 0.184798 seconds -*** Disk write bandwidth = 31.5594072101497 MB/s -*** Disk read bandwidth = 36.9564677056078 MB/s +*** Elapsed wall time = 0.139368 seconds +*** |--> S.join = 0.002439 seconds +*** |--> S.solve = 0.09481 seconds +*** |--> S.split = 0.007488 seconds +*** |--> Tensor update = 0.034195 seconds +*** |--> create = 0.009191 seconds +*** |--> destroy = 0.001318 seconds +*** |--> disk write = 0.005786 seconds +*** |--> disk read = 0.004941 seconds +*** |--> calc = 0.012923 seconds +*** Disk write bandwidth = 33.7520932969938 MB/s +*** Disk read bandwidth = 39.3050471145454 MB/s *** Minimum energy = -107.007920599438 *** Maximum discarded weight = 0 ****************************************************************** @@ -2377,28 +2413,28 @@ Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.007920599438 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -107.007920599438 - Stats: nIt(DAVIDSON) = 7 +Energy at sites (5, 6) is -107.007920599439 + 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 = 1.135025 seconds -*** |--> S.join = 0.044784 seconds -*** |--> S.solve = 0.750672 seconds -*** |--> S.split = 0.120126 seconds -*** |--> Tensor update = 0.217949 seconds -*** |--> create = 0.009568 seconds -*** |--> destroy = 0.001201 seconds -*** |--> disk write = 0.006087 seconds -*** |--> disk read = 0.005052 seconds -*** |--> calc = 0.195987 seconds -*** Disk write bandwidth = 31.905082601112 MB/s -*** Disk read bandwidth = 38.6559009929545 MB/s +*** Elapsed wall time = 0.111678 seconds +*** |--> S.join = 0.00335 seconds +*** |--> S.solve = 0.062006 seconds +*** |--> S.split = 0.008813 seconds +*** |--> Tensor update = 0.037112 seconds +*** |--> create = 0.011896 seconds +*** |--> destroy = 0.001324 seconds +*** |--> disk write = 0.00657 seconds +*** |--> disk read = 0.00554 seconds +*** |--> calc = 0.011746 seconds +*** Disk write bandwidth = 29.5595491313499 MB/s +*** Disk read bandwidth = 35.2508324578351 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 4.17799128626939e-11 +*** Energy difference with respect to previous leftright sweep = 5.05053776578279e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2413,45 +2449,45 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439 - NOON of irrep Ag = [ 1.99999761728583 , 1.9981745869575 , 1.99099529639681 ]. - NOON of irrep B2g = [ 0.999157310990015 ]. - NOON of irrep B3g = [ 0.999157310970715 ]. - NOON of irrep B1u = [ 1.99999763398152 , 1.99356772578037 , 0.0151843204051089 ]. - NOON of irrep B2u = [ 1.00188409862933 ]. - NOON of irrep B3u = [ 1.00188409860281 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624935876231e-05 , 0.0439795120850957 , 0.0191227052361653 , 0.710073263115398 , 0.710073263295559 , 0.000114194275491131 , 0.0501988278525656 , 0.0847680571789064 , 0.709393186475497 , 0.709393186303584 ]. - Idistance(0) = 1.96740724055948 - Idistance(1) = 7.24682976703997 - Idistance(2) = 34.604870987617 + NOON of irrep Ag = [ 1.99999761728605 , 1.99817458689425 , 1.99099529640015 ]. + NOON of irrep B2g = [ 0.999157311051369 ]. + NOON of irrep B3g = [ 0.999157310917884 ]. + NOON of irrep B1u = [ 1.9999976339815 , 1.99356772576545 , 0.0151843204728112 ]. + NOON of irrep B2u = [ 1.00188409869827 ]. + NOON of irrep B3u = [ 1.00188409853226 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624926822153e-05 , 0.0439795116918971 , 0.0191227057667797 , 0.710073262667407 , 0.710073263743912 , 0.000114194275516121 , 0.0501988280196427 , 0.0847680574776054 , 0.709393186902129 , 0.709393185875727 ]. + Idistance(0) = 1.96740724107281 + Idistance(1) = 7.24682976664381 + Idistance(2) = 34.6048709773795 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.863934 seconds -*** |--> MPS gauge change = 0.318927 seconds -*** |--> Diagram calc = 0.059932 seconds -*** |--> Tensor update = 0.484351 seconds -*** |--> create = 0.021438 seconds -*** |--> destroy = 0.003648 seconds -*** |--> disk write = 0.01509 seconds -*** |--> disk read = 0.01162 seconds -*** |--> calc = 0.432358 seconds -*** Disk write bandwidth = 27.1174669107749 MB/s -*** Disk read bandwidth = 35.2153679590012 MB/s +*** Elapsed wall time = 0.129734 seconds +*** |--> MPS gauge change = 0.023717 seconds +*** |--> Diagram calc = 0.006743 seconds +*** |--> Tensor update = 0.098651 seconds +*** |--> create = 0.027372 seconds +*** |--> destroy = 0.003244 seconds +*** |--> disk write = 0.016357 seconds +*** |--> disk read = 0.013399 seconds +*** |--> calc = 0.038135 seconds +*** Disk write bandwidth = 25.016969840655 MB/s +*** Disk read bandwidth = 30.5397847364425 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 = 10.271991 seconds -FCI::matvec : Wall time = 10.036244 seconds -FCI::matvec : Wall time = 10.051253 seconds -FCI::matvec : Wall time = 10.256444 seconds -FCI::matvec : Wall time = 10.103074 seconds -FCI::matvec : Wall time = 10.285304 seconds -FCI::matvec : Wall time = 9.91069 seconds -FCI::matvec : Wall time = 10.027765 seconds -FCI::matvec : Wall time = 10.023601 seconds -FCI::matvec : Wall time = 9.971651 seconds -FCI::matvec : Wall time = 10.007899 seconds -FCI::matvec : Wall time = 10.067625 seconds +FCI::matvec : Wall time = 0.586309 seconds +FCI::matvec : Wall time = 0.535518 seconds +FCI::matvec : Wall time = 0.536655 seconds +FCI::matvec : Wall time = 0.535196 seconds +FCI::matvec : Wall time = 0.536175 seconds +FCI::matvec : Wall time = 0.536045 seconds +FCI::matvec : Wall time = 0.53506 seconds +FCI::matvec : Wall time = 0.535337 seconds +FCI::matvec : Wall time = 0.546847 seconds +FCI::matvec : Wall time = 0.536404 seconds +FCI::matvec : Wall time = 0.537349 seconds +FCI::matvec : Wall time = 0.537084 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 @@ -2473,325 +2509,325 @@ 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) = 12 -Energy at sites (8, 9) is -102.364973235417 - Stats: nIt(DAVIDSON) = 24 -Energy at sites (7, 8) is -105.791821413544 - Stats: nIt(DAVIDSON) = 62 -Energy at sites (6, 7) is -105.903421446848 - Stats: nIt(DAVIDSON) = 41 -Energy at sites (5, 6) is -105.91591539056 - Stats: nIt(DAVIDSON) = 39 -Energy at sites (4, 5) is -106.114310943699 - Stats: nIt(DAVIDSON) = 43 -Energy at sites (3, 4) is -106.149335553901 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (8, 9) is -102.774435968978 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (7, 8) is -105.7921883663 + Stats: nIt(DAVIDSON) = 47 +Energy at sites (6, 7) is -105.903996221217 + Stats: nIt(DAVIDSON) = 59 +Energy at sites (5, 6) is -105.907010170873 + Stats: nIt(DAVIDSON) = 45 +Energy at sites (4, 5) is -106.132933890619 + Stats: nIt(DAVIDSON) = 40 +Energy at sites (3, 4) is -106.18343509468 Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.149335655786 +Energy at sites (2, 3) is -106.183435324347 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.149335655786 +Energy at sites (1, 2) is -106.183435324347 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 3.387574 seconds -*** |--> S.join = 0.055287 seconds -*** |--> S.solve = 3.001321 seconds -*** |--> S.split = 0.141008 seconds -*** |--> Tensor update = 0.187034 seconds -*** |--> create = 0.009329 seconds -*** |--> destroy = 0.001085 seconds -*** |--> disk write = 0.005861 seconds -*** |--> disk read = 0.004622 seconds -*** |--> calc = 0.166092 seconds -*** Disk write bandwidth = 34.4409692045406 MB/s -*** Disk read bandwidth = 43.4390191441746 MB/s -*** Minimum energy = -106.149335655786 +*** Elapsed wall time = 0.294061 seconds +*** |--> S.join = 0.002401 seconds +*** |--> S.solve = 0.250346 seconds +*** |--> S.split = 0.006853 seconds +*** |--> Tensor update = 0.033788 seconds +*** |--> create = 0.01024 seconds +*** |--> destroy = 0.001282 seconds +*** |--> disk write = 0.005998 seconds +*** |--> disk read = 0.005272 seconds +*** |--> calc = 0.010958 seconds +*** Disk write bandwidth = 33.6543048529197 MB/s +*** Disk read bandwidth = 38.0832978915734 MB/s +*** Minimum energy = -106.183435324347 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.149335655786 +Energy at sites (0, 1) is -106.183435324347 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.149335655786 +Energy at sites (1, 2) is -106.183435324347 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.149335655786 +Energy at sites (2, 3) is -106.183435324347 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -106.149335655796 +Energy at sites (3, 4) is -106.183435324369 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -106.149863529643 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (5, 6) is -106.190906721088 +Energy at sites (4, 5) is -106.183940179843 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (5, 6) is -106.191405576526 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.190906721639 +Energy at sites (6, 7) is -106.191405578697 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.190906721639 +Energy at sites (7, 8) is -106.191405578697 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 1.002839 seconds -*** |--> S.join = 0.051394 seconds -*** |--> S.solve = 0.619043 seconds -*** |--> S.split = 0.130156 seconds -*** |--> Tensor update = 0.200583 seconds -*** |--> create = 0.009473 seconds -*** |--> destroy = 0.001038 seconds -*** |--> disk write = 0.00598 seconds -*** |--> disk read = 0.004617 seconds -*** |--> calc = 0.179429 seconds -*** Disk write bandwidth = 33.5744392114339 MB/s -*** Disk read bandwidth = 43.7207105280079 MB/s -*** Minimum energy = -106.190906721639 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 106.190906721639 +*** Elapsed wall time = 0.097884 seconds +*** |--> S.join = 0.003354 seconds +*** |--> S.solve = 0.04531 seconds +*** |--> S.split = 0.007259 seconds +*** |--> Tensor update = 0.041586 seconds +*** |--> create = 0.009985 seconds +*** |--> destroy = 0.00123 seconds +*** |--> disk write = 0.005845 seconds +*** |--> disk read = 0.005201 seconds +*** |--> calc = 0.01929 seconds +*** Disk write bandwidth = 34.3498967466852 MB/s +*** Disk read bandwidth = 38.8114825048669 MB/s +*** Minimum energy = -106.191405578697 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 106.191405578697 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.190906721639 +Energy at sites (8, 9) is -106.191405578697 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.190906721639 +Energy at sites (7, 8) is -106.191405578697 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.190906721639 +Energy at sites (6, 7) is -106.191405578697 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -106.190906721639 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -106.191365312652 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (3, 4) is -106.191451387321 +Energy at sites (5, 6) is -106.191405578697 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (4, 5) is -106.191448158639 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (3, 4) is -106.191464670538 Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.191451409034 +Energy at sites (2, 3) is -106.191464681178 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191451409034 +Energy at sites (1, 2) is -106.191464681178 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.946586 seconds -*** |--> S.join = 0.046743 seconds -*** |--> S.solve = 0.563512 seconds -*** |--> S.split = 0.133325 seconds -*** |--> Tensor update = 0.20094 seconds -*** |--> create = 0.009358 seconds -*** |--> destroy = 0.001093 seconds -*** |--> disk write = 0.005983 seconds -*** |--> disk read = 0.004681 seconds -*** |--> calc = 0.17978 seconds -*** Disk write bandwidth = 33.7386796770537 MB/s -*** Disk read bandwidth = 42.8915074736969 MB/s -*** Minimum energy = -106.191451409034 +*** Elapsed wall time = 0.105242 seconds +*** |--> S.join = 0.007592 seconds +*** |--> S.solve = 0.05079 seconds +*** |--> S.split = 0.009384 seconds +*** |--> Tensor update = 0.037031 seconds +*** |--> create = 0.010494 seconds +*** |--> destroy = 0.001335 seconds +*** |--> disk write = 0.007145 seconds +*** |--> disk read = 0.005304 seconds +*** |--> calc = 0.012718 seconds +*** Disk write bandwidth = 28.251717355887 MB/s +*** Disk read bandwidth = 37.8535344050481 MB/s +*** Minimum energy = -106.191464681178 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191451409034 +Energy at sites (0, 1) is -106.191464681178 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191451409034 +Energy at sites (1, 2) is -106.191464681178 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191451409034 +Energy at sites (2, 3) is -106.191464681178 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.191451409034 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (4, 5) is -106.19145147633 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -106.191466055986 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466055986 +Energy at sites (3, 4) is -106.191464681178 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (4, 5) is -106.191464692194 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (5, 6) is -106.191466443881 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (6, 7) is -106.191466443924 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466055986 +Energy at sites (7, 8) is -106.191466443924 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.867843 seconds -*** |--> S.join = 0.048306 seconds -*** |--> S.solve = 0.481447 seconds -*** |--> S.split = 0.129546 seconds -*** |--> Tensor update = 0.206194 seconds -*** |--> create = 0.009484 seconds -*** |--> destroy = 0.001111 seconds -*** |--> disk write = 0.006014 seconds -*** |--> disk read = 0.004642 seconds -*** |--> calc = 0.184897 seconds -*** Disk write bandwidth = 33.3846269511764 MB/s -*** Disk read bandwidth = 43.4852478474391 MB/s -*** Minimum energy = -106.191466055986 +*** Elapsed wall time = 0.079685 seconds +*** |--> S.join = 0.002447 seconds +*** |--> S.solve = 0.032839 seconds +*** |--> S.split = 0.007311 seconds +*** |--> Tensor update = 0.036452 seconds +*** |--> create = 0.011544 seconds +*** |--> destroy = 0.001298 seconds +*** |--> disk write = 0.006212 seconds +*** |--> disk read = 0.005537 seconds +*** |--> calc = 0.011823 seconds +*** Disk write bandwidth = 32.3205322737242 MB/s +*** Disk read bandwidth = 36.4562977258105 MB/s +*** Minimum energy = -106.191466443924 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 0.000559334347400409 +*** Energy difference with respect to previous leftright sweep = 6.08652269988852e-05 ****************************************************************** *** 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 = -106.191466055986 -*** Minimum energy encountered during the last sweep = -106.191466055986 +*** Minimum energy encountered during all instructions = -106.191466443924 +*** Minimum energy encountered during the last sweep = -106.191466443924 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 9 -Energy at sites (8, 9) is -106.19146605599 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -106.191466055991 +Energy at sites (8, 9) is -106.191466443932 Stats: nIt(DAVIDSON) = 10 -Energy at sites (6, 7) is -106.191466055992 +Energy at sites (7, 8) is -106.191466443935 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (6, 7) is -106.191466443935 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -106.191466055993 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (4, 5) is -106.19146649523 +Energy at sites (5, 6) is -106.191466443944 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (4, 5) is -106.191466555662 Stats: nIt(DAVIDSON) = 16 -Energy at sites (3, 4) is -106.191466539021 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (2, 3) is -106.191466539048 +Energy at sites (3, 4) is -106.191466566095 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (2, 3) is -106.191466566095 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466539048 +Energy at sites (1, 2) is -106.191466566095 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 1.618036 seconds -*** |--> S.join = 0.046885 seconds -*** |--> S.solve = 1.23675 seconds -*** |--> S.split = 0.11881 seconds -*** |--> Tensor update = 0.21402 seconds -*** |--> create = 0.009373 seconds -*** |--> destroy = 0.001072 seconds -*** |--> disk write = 0.006061 seconds -*** |--> disk read = 0.004678 seconds -*** |--> calc = 0.192791 seconds -*** Disk write bandwidth = 33.3044910918681 MB/s -*** Disk read bandwidth = 42.9190137846035 MB/s -*** Minimum energy = -106.191466539048 +*** Elapsed wall time = 0.145898 seconds +*** |--> S.join = 0.003184 seconds +*** |--> S.solve = 0.100427 seconds +*** |--> S.split = 0.008173 seconds +*** |--> Tensor update = 0.033553 seconds +*** |--> create = 0.009324 seconds +*** |--> destroy = 0.001223 seconds +*** |--> disk write = 0.005715 seconds +*** |--> disk read = 0.004818 seconds +*** |--> calc = 0.012411 seconds +*** Disk write bandwidth = 35.320825985619 MB/s +*** Disk read bandwidth = 41.6718859452833 MB/s +*** Minimum energy = -106.191466566095 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466539048 +Energy at sites (0, 1) is -106.191466566095 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466539048 +Energy at sites (1, 2) is -106.191466566095 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466539048 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (3, 4) is -106.191466539048 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -106.191466539064 - Stats: nIt(DAVIDSON) = 19 -Energy at sites (5, 6) is -106.191466573249 +Energy at sites (2, 3) is -106.191466566095 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -106.191466566095 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -106.191466566099 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (5, 6) is -106.191466575211 Stats: nIt(DAVIDSON) = 4 -Energy at sites (6, 7) is -106.191466573249 +Energy at sites (6, 7) is -106.191466575211 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.19146657325 +Energy at sites (7, 8) is -106.191466575211 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 1.159865 seconds -*** |--> S.join = 0.045002 seconds -*** |--> S.solve = 0.788619 seconds -*** |--> S.split = 0.120722 seconds -*** |--> Tensor update = 0.203723 seconds -*** |--> create = 0.009478 seconds -*** |--> destroy = 0.001068 seconds -*** |--> disk write = 0.006038 seconds -*** |--> disk read = 0.004744 seconds -*** |--> calc = 0.182353 seconds -*** Disk write bandwidth = 33.2519288645868 MB/s -*** Disk read bandwidth = 42.5502783532488 MB/s -*** Minimum energy = -106.19146657325 +*** Elapsed wall time = 0.097557 seconds +*** |--> S.join = 0.002417 seconds +*** |--> S.solve = 0.055594 seconds +*** |--> S.split = 0.007072 seconds +*** |--> Tensor update = 0.032014 seconds +*** |--> create = 0.009403 seconds +*** |--> destroy = 0.001205 seconds +*** |--> disk write = 0.00567 seconds +*** |--> disk read = 0.00466 seconds +*** |--> calc = 0.011043 seconds +*** Disk write bandwidth = 35.4100787450397 MB/s +*** Disk read bandwidth = 43.3172790789297 MB/s +*** Minimum energy = -106.191466575211 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.17263174515392e-07 +*** Energy difference with respect to previous leftright sweep = 1.31287123394941e-07 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191466573249 +Energy at sites (8, 9) is -106.191466575211 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466573249 +Energy at sites (7, 8) is -106.191466575211 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466573249 +Energy at sites (6, 7) is -106.191466575211 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -106.191466573249 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (4, 5) is -106.19146657564 +Energy at sites (5, 6) is -106.191466575211 Stats: nIt(DAVIDSON) = 15 -Energy at sites (3, 4) is -106.191466575751 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.191466575751 +Energy at sites (4, 5) is -106.191466575842 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (3, 4) is -106.191466575895 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (2, 3) is -106.191466575895 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575751 +Energy at sites (1, 2) is -106.191466575895 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 1.081769 seconds -*** |--> S.join = 0.050282 seconds -*** |--> S.solve = 0.69552 seconds -*** |--> S.split = 0.124784 seconds -*** |--> Tensor update = 0.20979 seconds -*** |--> create = 0.009394 seconds -*** |--> destroy = 0.001095 seconds -*** |--> disk write = 0.006015 seconds -*** |--> disk read = 0.004631 seconds -*** |--> calc = 0.188608 seconds -*** Disk write bandwidth = 33.5591887793537 MB/s -*** Disk read bandwidth = 43.3545986794159 MB/s -*** Minimum energy = -106.191466575751 +*** Elapsed wall time = 0.098968 seconds +*** |--> S.join = 0.002628 seconds +*** |--> S.solve = 0.056309 seconds +*** |--> S.split = 0.007458 seconds +*** |--> Tensor update = 0.032068 seconds +*** |--> create = 0.009324 seconds +*** |--> destroy = 0.001262 seconds +*** |--> disk write = 0.005858 seconds +*** |--> disk read = 0.004689 seconds +*** |--> calc = 0.010899 seconds +*** Disk write bandwidth = 34.4586071198041 MB/s +*** Disk read bandwidth = 42.8183293845969 MB/s +*** Minimum energy = -106.191466575895 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466575751 +Energy at sites (0, 1) is -106.191466575895 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575751 +Energy at sites (1, 2) is -106.191466575895 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466575751 +Energy at sites (2, 3) is -106.191466575895 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -106.191466575751 +Energy at sites (3, 4) is -106.191466575895 Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -106.191466575751 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (5, 6) is -106.191466575935 +Energy at sites (4, 5) is -106.191466575895 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (5, 6) is -106.191466575946 Stats: nIt(DAVIDSON) = 3 -Energy at sites (6, 7) is -106.191466575935 +Energy at sites (6, 7) is -106.191466575946 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575935 +Energy at sites (7, 8) is -106.191466575946 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 1.011207 seconds -*** |--> S.join = 0.050647 seconds -*** |--> S.solve = 0.630364 seconds -*** |--> S.split = 0.130872 seconds -*** |--> Tensor update = 0.197909 seconds -*** |--> create = 0.00951 seconds -*** |--> destroy = 0.001078 seconds -*** |--> disk write = 0.006006 seconds -*** |--> disk read = 0.004602 seconds -*** |--> calc = 0.176667 seconds -*** Disk write bandwidth = 33.4290953187438 MB/s -*** Disk read bandwidth = 43.8632161033925 MB/s -*** Minimum energy = -106.191466575935 +*** Elapsed wall time = 0.086848 seconds +*** |--> S.join = 0.002268 seconds +*** |--> S.solve = 0.044269 seconds +*** |--> S.split = 0.007168 seconds +*** |--> Tensor update = 0.032658 seconds +*** |--> create = 0.010013 seconds +*** |--> destroy = 0.001229 seconds +*** |--> disk write = 0.005833 seconds +*** |--> disk read = 0.005257 seconds +*** |--> calc = 0.010293 seconds +*** Disk write bandwidth = 34.4205634295174 MB/s +*** Disk read bandwidth = 38.3980446086765 MB/s +*** Minimum energy = -106.191466575946 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.68590838459204e-09 +*** Energy difference with respect to previous leftright sweep = 7.35070670998539e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191466575935 +Energy at sites (8, 9) is -106.191466575946 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575935 +Energy at sites (7, 8) is -106.191466575946 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466575935 +Energy at sites (6, 7) is -106.191466575946 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -106.191466575935 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (4, 5) is -106.191466575949 +Energy at sites (5, 6) is -106.191466575946 Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -106.191466575949 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.191466575949 +Energy at sites (4, 5) is -106.19146657595 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (3, 4) is -106.19146657595 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575949 +Energy at sites (1, 2) is -106.19146657595 ****************************************************************** *** Information on left sweep 2 of instruction 1: -*** Elapsed wall time = 1.015666 seconds -*** |--> S.join = 0.048093 seconds -*** |--> S.solve = 0.638059 seconds -*** |--> S.split = 0.137729 seconds -*** |--> Tensor update = 0.190366 seconds -*** |--> create = 0.009357 seconds -*** |--> destroy = 0.001079 seconds -*** |--> disk write = 0.005994 seconds -*** |--> disk read = 0.004631 seconds -*** |--> calc = 0.169255 seconds -*** Disk write bandwidth = 33.6767635148169 MB/s -*** Disk read bandwidth = 43.3545986794159 MB/s -*** Minimum energy = -106.191466575949 +*** Elapsed wall time = 0.089089 seconds +*** |--> S.join = 0.002415 seconds +*** |--> S.solve = 0.046509 seconds +*** |--> S.split = 0.007955 seconds +*** |--> Tensor update = 0.031818 seconds +*** |--> create = 0.009274 seconds +*** |--> destroy = 0.001197 seconds +*** |--> disk write = 0.005653 seconds +*** |--> disk read = 0.004718 seconds +*** |--> calc = 0.010947 seconds +*** Disk write bandwidth = 35.708211658909 MB/s +*** Disk read bandwidth = 42.5551391446323 MB/s +*** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466575949 +Energy at sites (0, 1) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575949 +Energy at sites (1, 2) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466575949 +Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.191466575949 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -106.191466575949 - Stats: nIt(DAVIDSON) = 12 +Energy at sites (3, 4) is -106.19146657595 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (4, 5) is -106.19146657595 + Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.19146657595 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.19146657595 @@ -2799,21 +2835,21 @@ Energy at sites (7, 8) is -106.19146657595 ****************************************************************** *** Information on right sweep 2 of instruction 1: -*** Elapsed wall time = 0.914123 seconds -*** |--> S.join = 0.051477 seconds -*** |--> S.solve = 0.533793 seconds -*** |--> S.split = 0.130694 seconds -*** |--> Tensor update = 0.195926 seconds -*** |--> create = 0.009441 seconds -*** |--> destroy = 0.001041 seconds -*** |--> disk write = 0.005931 seconds -*** |--> disk read = 0.004596 seconds -*** |--> calc = 0.174866 seconds -*** Disk write bandwidth = 33.8518203480653 MB/s -*** Disk read bandwidth = 43.9204787876006 MB/s +*** Elapsed wall time = 0.081293 seconds +*** |--> S.join = 0.002348 seconds +*** |--> S.solve = 0.038924 seconds +*** |--> S.split = 0.007034 seconds +*** |--> Tensor update = 0.032393 seconds +*** |--> create = 0.009438 seconds +*** |--> destroy = 0.00121 seconds +*** |--> disk write = 0.005776 seconds +*** |--> disk read = 0.004839 seconds +*** |--> calc = 0.011093 seconds +*** Disk write bandwidth = 34.7602400423087 MB/s +*** Disk read bandwidth = 41.714924676134 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.46087586472277e-11 +*** Energy difference with respect to previous leftright sweep = 4.34852154285181e-12 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2828,51 +2864,51 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595 - NOON of irrep Ag = [ 1.99999399659649 , 1.993663255718 , 1.87190048841962 ]. - NOON of irrep B2g = [ 0.584814217709665 ]. - NOON of irrep B3g = [ 0.584814350543552 ]. - NOON of irrep B1u = [ 1.99999783389182 , 1.12096429266827 , 1.00219410649994 ]. - NOON of irrep B2u = [ 1.42082865469175 ]. - NOON of irrep B3u = [ 1.42082880326088 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128269051089e-05 , 0.0722109560741472 , 0.460791919227288 , 1.13075777559052 , 1.13075781989485 , 6.17502948857155e-05 , 0.977139015913669 , 0.735936486416236 , 1.12042726926869 , 1.12042719532081 ]. - Idistance(0) = 5.65234395568424 - Idistance(1) = 19.8382953921871 - Idistance(2) = 88.8195380375511 + NOON of irrep Ag = [ 1.99999399659744 , 1.99366325698113 , 1.87190049361491 ]. + NOON of irrep B2g = [ 0.584814320308116 ]. + NOON of irrep B3g = [ 0.58481424239 ]. + NOON of irrep B1u = [ 1.99999783389175 , 1.12096429098003 , 1.0021941079956 ]. + NOON of irrep B2u = [ 1.4208287748965 ]. + NOON of irrep B3u = [ 1.42082868234453 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128150384011e-05 , 0.0722109518037593 , 0.460791902979021 , 1.13075780250035 , 1.13075778346468 , 6.17502958904938e-05 , 0.977139013775384 , 0.735936478669057 , 1.12042721011373 , 1.12042725615409 ]. + Idistance(0) = 5.65234391250278 + Idistance(1) = 19.8382958507733 + Idistance(2) = 88.8195422402443 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.844294 seconds -*** |--> MPS gauge change = 0.310269 seconds -*** |--> Diagram calc = 0.053692 seconds -*** |--> Tensor update = 0.479011 seconds -*** |--> create = 0.021607 seconds -*** |--> destroy = 0.003272 seconds -*** |--> disk write = 0.014596 seconds -*** |--> disk read = 0.010932 seconds -*** |--> calc = 0.428429 seconds -*** Disk write bandwidth = 28.9353516762405 MB/s -*** Disk read bandwidth = 38.6334058787419 MB/s +*** Elapsed wall time = 0.131132 seconds +*** |--> MPS gauge change = 0.022309 seconds +*** |--> Diagram calc = 0.007213 seconds +*** |--> Tensor update = 0.100791 seconds +*** |--> create = 0.030805 seconds +*** |--> destroy = 0.003411 seconds +*** |--> disk write = 0.01727 seconds +*** |--> disk read = 0.014488 seconds +*** |--> calc = 0.034653 seconds +*** Disk write bandwidth = 24.4551472534109 MB/s +*** Disk read bandwidth = 29.1510486655443 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 = 10.092448 seconds -FCI::matvec : Wall time = 10.016184 seconds -FCI::matvec : Wall time = 10.054931 seconds -FCI::matvec : Wall time = 9.725303 seconds -FCI::matvec : Wall time = 10.02292 seconds -FCI::matvec : Wall time = 10.003927 seconds -FCI::matvec : Wall time = 9.276503 seconds -FCI::matvec : Wall time = 9.81079 seconds -FCI::matvec : Wall time = 10.055178 seconds -FCI::matvec : Wall time = 8.303322 seconds -FCI::matvec : Wall time = 9.784692 seconds -FCI::matvec : Wall time = 10.123797 seconds -FCI::matvec : Wall time = 9.796057 seconds -FCI::matvec : Wall time = 10.10774 seconds -FCI::matvec : Wall time = 9.980574 seconds -FCI::matvec : Wall time = 10.383237 seconds -FCI::matvec : Wall time = 9.854803 seconds -FCI::matvec : Wall time = 9.93173 seconds +FCI::matvec : Wall time = 0.574353 seconds +FCI::matvec : Wall time = 0.542768 seconds +FCI::matvec : Wall time = 0.542493 seconds +FCI::matvec : Wall time = 0.538046 seconds +FCI::matvec : Wall time = 0.54163 seconds +FCI::matvec : Wall time = 0.551713 seconds +FCI::matvec : Wall time = 0.543579 seconds +FCI::matvec : Wall time = 0.537395 seconds +FCI::matvec : Wall time = 0.536514 seconds +FCI::matvec : Wall time = 0.53808 seconds +FCI::matvec : Wall time = 0.536671 seconds +FCI::matvec : Wall time = 0.536793 seconds +FCI::matvec : Wall time = 0.537952 seconds +FCI::matvec : Wall time = 0.536645 seconds +FCI::matvec : Wall time = 0.536971 seconds +FCI::matvec : Wall time = 0.536001 seconds +FCI::matvec : Wall time = 0.53834 seconds +FCI::matvec : Wall time = 0.536541 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 @@ -2894,244 +2930,244 @@ 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) = 18 -Energy at sites (8, 9) is -102.36746119474 - Stats: nIt(DAVIDSON) = 31 -Energy at sites (7, 8) is -106.571851001277 - Stats: nIt(DAVIDSON) = 31 -Energy at sites (6, 7) is -106.779215557139 - Stats: nIt(DAVIDSON) = 56 -Energy at sites (5, 6) is -107.326450851904 - Stats: nIt(DAVIDSON) = 36 -Energy at sites (4, 5) is -107.346087272103 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (3, 4) is -107.346206240612 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (2, 3) is -107.346207534962 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (8, 9) is -103.561103479632 + Stats: nIt(DAVIDSON) = 32 +Energy at sites (7, 8) is -106.581751784789 + Stats: nIt(DAVIDSON) = 41 +Energy at sites (6, 7) is -106.778887644461 + Stats: nIt(DAVIDSON) = 63 +Energy at sites (5, 6) is -106.809588691247 + Stats: nIt(DAVIDSON) = 42 +Energy at sites (4, 5) is -107.330503567259 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (3, 4) is -107.330573385603 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (2, 3) is -107.33057494978 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346207534962 +Energy at sites (1, 2) is -107.33057494978 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 3.575777 seconds -*** |--> S.join = 0.039042 seconds -*** |--> S.solve = 3.184211 seconds -*** |--> S.split = 0.127743 seconds -*** |--> Tensor update = 0.223756 seconds -*** |--> create = 0.011688 seconds -*** |--> destroy = 0.001113 seconds -*** |--> disk write = 0.006396 seconds -*** |--> disk read = 0.005108 seconds -*** |--> calc = 0.1994 seconds -*** Disk write bandwidth = 128.015419182888 MB/s -*** Disk read bandwidth = 159.585485256736 MB/s -*** Minimum energy = -107.346207534962 +*** Elapsed wall time = 0.425353 seconds +*** |--> S.join = 0.003456 seconds +*** |--> S.solve = 0.373392 seconds +*** |--> S.split = 0.008402 seconds +*** |--> Tensor update = 0.039655 seconds +*** |--> create = 0.012765 seconds +*** |--> destroy = 0.001321 seconds +*** |--> disk write = 0.006324 seconds +*** |--> disk read = 0.00549 seconds +*** |--> calc = 0.013717 seconds +*** Disk write bandwidth = 129.472900236203 MB/s +*** Disk read bandwidth = 148.481358595885 MB/s +*** Minimum energy = -107.33057494978 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346207534962 +Energy at sites (0, 1) is -107.33057494978 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346207534962 +Energy at sites (1, 2) is -107.33057494978 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346207534962 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.346207536633 +Energy at sites (2, 3) is -107.33057494978 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (3, 4) is -107.330574950368 Stats: nIt(DAVIDSON) = 4 -Energy at sites (4, 5) is -107.346207573222 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (5, 6) is -107.346321116552 +Energy at sites (4, 5) is -107.330574976495 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (5, 6) is -107.346283108752 Stats: nIt(DAVIDSON) = 5 -Energy at sites (6, 7) is -107.346325629233 +Energy at sites (6, 7) is -107.346288362318 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346325629234 +Energy at sites (7, 8) is -107.346288362318 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 1.035363 seconds -*** |--> S.join = 0.049291 seconds -*** |--> S.solve = 0.654535 seconds -*** |--> S.split = 0.117905 seconds -*** |--> Tensor update = 0.212202 seconds -*** |--> create = 0.011988 seconds -*** |--> destroy = 0.001102 seconds -*** |--> disk write = 0.00641 seconds -*** |--> disk read = 0.005128 seconds -*** |--> calc = 0.187525 seconds -*** Disk write bandwidth = 127.170461574322 MB/s -*** Disk read bandwidth = 159.669777904397 MB/s -*** Minimum energy = -107.346325629234 +*** Elapsed wall time = 0.107972 seconds +*** |--> S.join = 0.002871 seconds +*** |--> S.solve = 0.059779 seconds +*** |--> S.split = 0.00779 seconds +*** |--> Tensor update = 0.037129 seconds +*** |--> create = 0.012008 seconds +*** |--> destroy = 0.001274 seconds +*** |--> disk write = 0.006337 seconds +*** |--> disk read = 0.005243 seconds +*** |--> calc = 0.012229 seconds +*** Disk write bandwidth = 128.635420339499 MB/s +*** Disk read bandwidth = 156.167579838594 MB/s +*** Minimum energy = -107.346288362318 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.346325629234 +*** Energy difference with respect to previous leftright sweep = 107.346288362318 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.346325629234 +Energy at sites (8, 9) is -107.346288362318 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346325629234 +Energy at sites (7, 8) is -107.346288362318 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346325629234 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (5, 6) is -107.34632563282 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (4, 5) is -107.346326085216 +Energy at sites (6, 7) is -107.346288362319 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.346326105783 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.346326105791 +Energy at sites (5, 6) is -107.346288367935 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (4, 5) is -107.346317807425 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (3, 4) is -107.346325895804 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (2, 3) is -107.346325896842 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326105791 +Energy at sites (1, 2) is -107.346325896842 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.835744 seconds -*** |--> S.join = 0.04643 seconds -*** |--> S.solve = 0.455057 seconds -*** |--> S.split = 0.126285 seconds -*** |--> Tensor update = 0.206492 seconds -*** |--> create = 0.011684 seconds -*** |--> destroy = 0.001162 seconds -*** |--> disk write = 0.00653 seconds -*** |--> disk read = 0.005128 seconds -*** |--> calc = 0.181935 seconds -*** Disk write bandwidth = 125.388456522779 MB/s -*** Disk read bandwidth = 158.963076967903 MB/s -*** Minimum energy = -107.346326105791 +*** Elapsed wall time = 0.096064 seconds +*** |--> S.join = 0.00271 seconds +*** |--> S.solve = 0.045536 seconds +*** |--> S.split = 0.007407 seconds +*** |--> Tensor update = 0.039914 seconds +*** |--> create = 0.012719 seconds +*** |--> destroy = 0.001361 seconds +*** |--> disk write = 0.006484 seconds +*** |--> disk read = 0.005403 seconds +*** |--> calc = 0.013905 seconds +*** Disk write bandwidth = 126.278010656038 MB/s +*** Disk read bandwidth = 150.87223000026 MB/s +*** Minimum energy = -107.346325896842 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326105791 +Energy at sites (0, 1) is -107.346325896842 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326105791 +Energy at sites (1, 2) is -107.346325896842 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326105791 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.346326105791 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (4, 5) is -107.346326105791 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (5, 6) is -107.346326114812 +Energy at sites (2, 3) is -107.346325896842 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346326114812 +Energy at sites (3, 4) is -107.346325896842 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (4, 5) is -107.346325898827 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (5, 6) is -107.346326099307 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (6, 7) is -107.346326112841 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326114812 +Energy at sites (7, 8) is -107.346326112841 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.727128 seconds -*** |--> S.join = 0.045174 seconds -*** |--> S.solve = 0.334656 seconds -*** |--> S.split = 0.139126 seconds -*** |--> Tensor update = 0.205846 seconds -*** |--> create = 0.011982 seconds -*** |--> destroy = 0.001062 seconds -*** |--> disk write = 0.006247 seconds -*** |--> disk read = 0.005028 seconds -*** |--> calc = 0.181476 seconds -*** Disk write bandwidth = 130.4886599474 MB/s -*** Disk read bandwidth = 162.845390034556 MB/s -*** Minimum energy = -107.346326114812 +*** Elapsed wall time = 0.093242 seconds +*** |--> S.join = 0.00332 seconds +*** |--> S.solve = 0.039591 seconds +*** |--> S.split = 0.009206 seconds +*** |--> Tensor update = 0.040766 seconds +*** |--> create = 0.012777 seconds +*** |--> destroy = 0.001308 seconds +*** |--> disk write = 0.006543 seconds +*** |--> disk read = 0.005575 seconds +*** |--> calc = 0.014524 seconds +*** Disk write bandwidth = 124.585459069449 MB/s +*** Disk read bandwidth = 146.867555353139 MB/s +*** Minimum energy = -107.346326112841 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 4.85578567577249e-07 +*** Energy difference with respect to previous leftright sweep = 3.77505225230834e-05 ****************************************************************** *** 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 = -107.346326114812 -*** Minimum energy encountered during the last sweep = -107.346326114812 +*** Minimum energy encountered during all instructions = -107.346326112841 +*** Minimum energy encountered during the last sweep = -107.346326112841 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.346326114813 +Energy at sites (8, 9) is -107.346326112842 Stats: nIt(DAVIDSON) = 9 -Energy at sites (7, 8) is -107.346326114819 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (6, 7) is -107.34632611482 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (5, 6) is -107.346326114825 +Energy at sites (7, 8) is -107.346326112845 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.346326115019 +Energy at sites (6, 7) is -107.346326112847 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (5, 6) is -107.346326112873 Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -107.34632611502 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (2, 3) is -107.34632611502 +Energy at sites (4, 5) is -107.346326114932 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (3, 4) is -107.346326114985 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (2, 3) is -107.346326114985 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.34632611502 +Energy at sites (1, 2) is -107.346326114985 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 1.658776 seconds -*** |--> S.join = 0.059633 seconds -*** |--> S.solve = 1.260969 seconds -*** |--> S.split = 0.119894 seconds -*** |--> Tensor update = 0.216202 seconds -*** |--> create = 0.011664 seconds -*** |--> destroy = 0.001122 seconds -*** |--> disk write = 0.0065 seconds -*** |--> disk read = 0.005342 seconds -*** |--> calc = 0.191523 seconds -*** Disk write bandwidth = 125.967172475962 MB/s -*** Disk read bandwidth = 152.595031578324 MB/s -*** Minimum energy = -107.34632611502 +*** Elapsed wall time = 0.175046 seconds +*** |--> S.join = 0.002615 seconds +*** |--> S.solve = 0.124204 seconds +*** |--> S.split = 0.008214 seconds +*** |--> Tensor update = 0.03932 seconds +*** |--> create = 0.012644 seconds +*** |--> destroy = 0.001364 seconds +*** |--> disk write = 0.006379 seconds +*** |--> disk read = 0.005424 seconds +*** |--> calc = 0.013472 seconds +*** Disk write bandwidth = 128.356579572621 MB/s +*** Disk read bandwidth = 150.288100791188 MB/s +*** Minimum energy = -107.346326114985 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.34632611502 +Energy at sites (0, 1) is -107.346326114985 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.34632611502 +Energy at sites (1, 2) is -107.346326114985 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.34632611502 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.34632611502 +Energy at sites (2, 3) is -107.346326114985 Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.34632611502 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (5, 6) is -107.346326115024 +Energy at sites (3, 4) is -107.346326114985 Stats: nIt(DAVIDSON) = 7 +Energy at sites (4, 5) is -107.346326114985 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (5, 6) is -107.346326115023 + Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.346326115024 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 = 1.08762 seconds -*** |--> S.join = 0.053379 seconds -*** |--> S.solve = 0.701747 seconds -*** |--> S.split = 0.126963 seconds -*** |--> Tensor update = 0.203664 seconds -*** |--> create = 0.011997 seconds -*** |--> destroy = 0.001093 seconds -*** |--> disk write = 0.006371 seconds -*** |--> disk read = 0.005041 seconds -*** |--> calc = 0.179111 seconds -*** Disk write bandwidth = 127.948934027846 MB/s -*** Disk read bandwidth = 162.425435646449 MB/s -*** Minimum energy = -107.346326115025 +*** Elapsed wall time = 0.13236 seconds +*** |--> S.join = 0.002645 seconds +*** |--> S.solve = 0.082859 seconds +*** |--> S.split = 0.007696 seconds +*** |--> Tensor update = 0.038733 seconds +*** |--> create = 0.012606 seconds +*** |--> destroy = 0.001308 seconds +*** |--> disk write = 0.006448 seconds +*** |--> disk read = 0.005361 seconds +*** |--> calc = 0.01297 seconds +*** Disk write bandwidth = 126.42100786157 MB/s +*** Disk read bandwidth = 152.730203524296 MB/s +*** Minimum energy = -107.346326115024 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.1242385628284e-10 +*** Energy difference with respect to previous leftright sweep = 2.1827588625456e-09 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.346326115025 +Energy at sites (8, 9) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326115025 +Energy at sites (7, 8) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326115024 - Stats: nIt(DAVIDSON) = 6 + Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -107.346326115024 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 10 Energy at sites (4, 5) is -107.346326115024 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (3, 4) is -107.346326115025 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.346326115025 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (3, 4) is -107.346326115024 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (2, 3) is -107.346326115024 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 = 0.923165 seconds -*** |--> S.join = 0.043886 seconds -*** |--> S.solve = 0.545693 seconds -*** |--> S.split = 0.123141 seconds -*** |--> Tensor update = 0.209702 seconds -*** |--> create = 0.01168 seconds -*** |--> destroy = 0.001085 seconds -*** |--> disk write = 0.006435 seconds -*** |--> disk read = 0.005063 seconds -*** |--> calc = 0.185389 seconds -*** Disk write bandwidth = 127.239568157537 MB/s -*** Disk read bandwidth = 161.003882814815 MB/s +*** Elapsed wall time = 0.11945 seconds +*** |--> S.join = 0.002942 seconds +*** |--> S.solve = 0.067559 seconds +*** |--> S.split = 0.007778 seconds +*** |--> Tensor update = 0.040597 seconds +*** |--> create = 0.012792 seconds +*** |--> destroy = 0.001541 seconds +*** |--> disk write = 0.006887 seconds +*** |--> disk read = 0.005657 seconds +*** |--> calc = 0.013682 seconds +*** Disk write bandwidth = 118.888720937092 MB/s +*** Disk read bandwidth = 144.098048204244 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 ****************************************************************** @@ -3140,34 +3176,34 @@ Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326115025 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.346326115025 +Energy at sites (2, 3) is -107.346326115024 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.346326115025 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (5, 6) is -107.346326115025 +Energy at sites (3, 4) is -107.346326115024 Stats: nIt(DAVIDSON) = 3 +Energy at sites (4, 5) is -107.346326115024 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (5, 6) is -107.346326115024 + Stats: nIt(DAVIDSON) = 4 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326115024 +Energy at sites (7, 8) is -107.346326115025 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 0.887644 seconds -*** |--> S.join = 0.049719 seconds -*** |--> S.solve = 0.504543 seconds -*** |--> S.split = 0.119816 seconds -*** |--> Tensor update = 0.212174 seconds -*** |--> create = 0.01208 seconds -*** |--> destroy = 0.001081 seconds -*** |--> disk write = 0.006304 seconds -*** |--> disk read = 0.005122 seconds -*** |--> calc = 0.187538 seconds -*** Disk write bandwidth = 129.308797381251 MB/s -*** Disk read bandwidth = 159.856817862895 MB/s +*** Elapsed wall time = 0.106238 seconds +*** |--> S.join = 0.003439 seconds +*** |--> S.solve = 0.053422 seconds +*** |--> S.split = 0.008484 seconds +*** |--> Tensor update = 0.040458 seconds +*** |--> create = 0.012656 seconds +*** |--> destroy = 0.001255 seconds +*** |--> disk write = 0.006456 seconds +*** |--> disk read = 0.005357 seconds +*** |--> calc = 0.014699 seconds +*** Disk write bandwidth = 126.264352337578 MB/s +*** Disk read bandwidth = 152.84424511737 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.70530256582424e-13 +*** Energy difference with respect to previous leftright sweep = 9.37916411203332e-13 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3182,51 +3218,51 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115024 - NOON of irrep Ag = [ 1.99999018535368 , 1.99292175274427 , 1.03221285684796 ]. - NOON of irrep B2g = [ 1.0241531025843 ]. - NOON of irrep B3g = [ 0.0896934287775079 ]. - NOON of irrep B1u = [ 1.99999295584654 , 1.95039154287951 , 0.0159495095098131 ]. - NOON of irrep B2u = [ 1.91962159296681 ]. - NOON of irrep B3u = [ 1.9750730724896 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322992269976 , 0.044714146878152 , 0.838966994113979 , 0.790658960226041 , 0.317368561141696 , 9.24989500828671e-05 , 0.227634117178272 , 0.0907424583749425 , 0.299652804847023 , 0.133979296973216 ]. - Idistance(0) = 1.57215407895217 - Idistance(1) = 5.15805448315353 - Idistance(2) = 21.9866409897402 + NOON of irrep Ag = [ 1.99999018535344 , 1.99292175251827 , 1.03221285729099 ]. + NOON of irrep B2g = [ 1.02415310252638 ]. + NOON of irrep B3g = [ 0.089693428702785 ]. + NOON of irrep B1u = [ 1.99999295584652 , 1.95039154279724 , 0.0159495094510338 ]. + NOON of irrep B2u = [ 1.91962159303412 ]. + NOON of irrep B3u = [ 1.97507307247921 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322996284545 , 0.0447141482125066 , 0.83896699261841 , 0.7906589604659 , 0.317368560802448 , 9.24989501501557e-05 , 0.22763411746039 , 0.0907424580033819 , 0.299652804525251 , 0.133979297017743 ]. + Idistance(0) = 1.57215407791182 + Idistance(1) = 5.1580544815758 + Idistance(2) = 21.9866409971766 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.859239 seconds -*** |--> MPS gauge change = 0.291997 seconds -*** |--> Diagram calc = 0.063573 seconds -*** |--> Tensor update = 0.502462 seconds -*** |--> create = 0.027509 seconds -*** |--> destroy = 0.003269 seconds -*** |--> disk write = 0.015021 seconds -*** |--> disk read = 0.011908 seconds -*** |--> calc = 0.444563 seconds -*** Disk write bandwidth = 110.569588156009 MB/s -*** Disk read bandwidth = 139.474788687555 MB/s +*** Elapsed wall time = 0.168385 seconds +*** |--> MPS gauge change = 0.023238 seconds +*** |--> Diagram calc = 0.011009 seconds +*** |--> Tensor update = 0.132889 seconds +*** |--> create = 0.043849 seconds +*** |--> destroy = 0.003704 seconds +*** |--> disk write = 0.020782 seconds +*** |--> disk read = 0.017233 seconds +*** |--> calc = 0.047132 seconds +*** Disk write bandwidth = 79.9184767438844 MB/s +*** Disk read bandwidth = 96.3770547026871 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 = 13.408212 seconds -FCI::matvec : Wall time = 13.371563 seconds -FCI::matvec : Wall time = 13.371538 seconds -FCI::matvec : Wall time = 13.379896 seconds -FCI::matvec : Wall time = 13.407885 seconds -FCI::matvec : Wall time = 13.395724 seconds -FCI::matvec : Wall time = 12.672179 seconds -FCI::matvec : Wall time = 10.68329 seconds -FCI::matvec : Wall time = 13.368091 seconds -FCI::matvec : Wall time = 13.319657 seconds -FCI::matvec : Wall time = 13.3397 seconds -FCI::matvec : Wall time = 13.360118 seconds -FCI::matvec : Wall time = 12.149003 seconds -FCI::matvec : Wall time = 12.621788 seconds -FCI::matvec : Wall time = 13.368457 seconds -FCI::matvec : Wall time = 13.37984 seconds -FCI::matvec : Wall time = 13.367155 seconds -FCI::matvec : Wall time = 13.367042 seconds +FCI::matvec : Wall time = 0.798216 seconds +FCI::matvec : Wall time = 0.719401 seconds +FCI::matvec : Wall time = 0.714044 seconds +FCI::matvec : Wall time = 0.714856 seconds +FCI::matvec : Wall time = 0.717425 seconds +FCI::matvec : Wall time = 0.714704 seconds +FCI::matvec : Wall time = 0.718082 seconds +FCI::matvec : Wall time = 0.713993 seconds +FCI::matvec : Wall time = 0.723197 seconds +FCI::matvec : Wall time = 0.716562 seconds +FCI::matvec : Wall time = 0.715108 seconds +FCI::matvec : Wall time = 0.722771 seconds +FCI::matvec : Wall time = 0.716078 seconds +FCI::matvec : Wall time = 0.715377 seconds +FCI::matvec : Wall time = 0.715532 seconds +FCI::matvec : Wall time = 0.717928 seconds +FCI::matvec : Wall time = 0.714696 seconds +FCI::matvec : Wall time = 0.718329 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 @@ -3248,177 +3284,177 @@ 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 -103.373042543479 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (8, 9) is -102.704058463393 Stats: nIt(DAVIDSON) = 26 -Energy at sites (7, 8) is -106.657176009865 - Stats: nIt(DAVIDSON) = 49 -Energy at sites (6, 7) is -106.951449265327 - Stats: nIt(DAVIDSON) = 64 -Energy at sites (5, 6) is -107.182117105577 +Energy at sites (7, 8) is -106.605220909651 + Stats: nIt(DAVIDSON) = 48 +Energy at sites (6, 7) is -106.951213959411 + Stats: nIt(DAVIDSON) = 55 +Energy at sites (5, 6) is -107.182117214972 Stats: nIt(DAVIDSON) = 42 -Energy at sites (4, 5) is -107.189592601809 - Stats: nIt(DAVIDSON) = 31 -Energy at sites (3, 4) is -107.199469091701 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (2, 3) is -107.199493272104 +Energy at sites (4, 5) is -107.188736334507 + Stats: nIt(DAVIDSON) = 41 +Energy at sites (3, 4) is -107.199436731337 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (2, 3) is -107.19945973809 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199493272104 +Energy at sites (1, 2) is -107.19945973809 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 4.279292 seconds -*** |--> S.join = 0.053117 seconds -*** |--> S.solve = 3.908845 seconds -*** |--> S.split = 0.109458 seconds -*** |--> Tensor update = 0.205779 seconds -*** |--> create = 0.011582 seconds -*** |--> destroy = 0.001128 seconds -*** |--> disk write = 0.006431 seconds -*** |--> disk read = 0.005262 seconds -*** |--> calc = 0.181329 seconds -*** Disk write bandwidth = 130.800636610631 MB/s -*** Disk read bandwidth = 159.170454511711 MB/s -*** Minimum energy = -107.199493272104 +*** Elapsed wall time = 0.367888 seconds +*** |--> S.join = 0.002709 seconds +*** |--> S.solve = 0.320172 seconds +*** |--> S.split = 0.006522 seconds +*** |--> Tensor update = 0.037748 seconds +*** |--> create = 0.012692 seconds +*** |--> destroy = 0.001369 seconds +*** |--> disk write = 0.006632 seconds +*** |--> disk read = 0.00557 seconds +*** |--> calc = 0.011445 seconds +*** Disk write bandwidth = 126.836383299603 MB/s +*** Disk read bandwidth = 150.368928481261 MB/s +*** Minimum energy = -107.19945973809 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199493272105 +Energy at sites (0, 1) is -107.19945973809 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199493272104 +Energy at sites (1, 2) is -107.19945973809 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199493272105 +Energy at sites (2, 3) is -107.19945973809 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.199493280575 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.199502495679 - Stats: nIt(DAVIDSON) = 21 -Energy at sites (5, 6) is -107.199617206386 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.199617206698 +Energy at sites (3, 4) is -107.199459746107 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (4, 5) is -107.199466779544 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (5, 6) is -107.199561898049 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (6, 7) is -107.199615691931 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617206698 +Energy at sites (7, 8) is -107.199615691931 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 1.239108 seconds -*** |--> S.join = 0.043653 seconds -*** |--> S.solve = 0.85964 seconds -*** |--> S.split = 0.12899 seconds -*** |--> Tensor update = 0.204293 seconds -*** |--> create = 0.011957 seconds -*** |--> destroy = 0.001119 seconds -*** |--> disk write = 0.006512 seconds -*** |--> disk read = 0.005195 seconds -*** |--> calc = 0.179464 seconds -*** Disk write bandwidth = 128.617157807221 MB/s -*** Disk read bandwidth = 161.920865070831 MB/s -*** Minimum energy = -107.199617206698 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.199617206698 +*** Elapsed wall time = 0.125334 seconds +*** |--> S.join = 0.005644 seconds +*** |--> S.solve = 0.074834 seconds +*** |--> S.split = 0.007463 seconds +*** |--> Tensor update = 0.036937 seconds +*** |--> create = 0.011922 seconds +*** |--> destroy = 0.001303 seconds +*** |--> disk write = 0.006296 seconds +*** |--> disk read = 0.005279 seconds +*** |--> calc = 0.012096 seconds +*** Disk write bandwidth = 133.029690540125 MB/s +*** Disk read bandwidth = 159.344363334527 MB/s +*** Minimum energy = -107.199615691931 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.199615691931 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.199617206698 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617206698 +Energy at sites (8, 9) is -107.199615691931 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617206698 +Energy at sites (7, 8) is -107.199615691931 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.199617206698 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.199617369405 +Energy at sites (6, 7) is -107.199615691931 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (5, 6) is -107.19961729583 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (4, 5) is -107.199617405415 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.199617420786 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.199617421071 +Energy at sites (3, 4) is -107.199617420975 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (2, 3) is -107.199617421189 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421071 +Energy at sites (1, 2) is -107.199617421189 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.86288 seconds -*** |--> S.join = 0.044428 seconds -*** |--> S.solve = 0.487166 seconds -*** |--> S.split = 0.122545 seconds -*** |--> Tensor update = 0.207121 seconds -*** |--> create = 0.011647 seconds -*** |--> destroy = 0.001117 seconds -*** |--> disk write = 0.006429 seconds -*** |--> disk read = 0.00527 seconds -*** |--> calc = 0.18261 seconds -*** Disk write bandwidth = 130.8413274293 MB/s -*** Disk read bandwidth = 158.928829533325 MB/s -*** Minimum energy = -107.199617421071 +*** Elapsed wall time = 0.109073 seconds +*** |--> S.join = 0.006377 seconds +*** |--> S.solve = 0.056035 seconds +*** |--> S.split = 0.008363 seconds +*** |--> Tensor update = 0.037862 seconds +*** |--> create = 0.011931 seconds +*** |--> destroy = 0.001519 seconds +*** |--> disk write = 0.006484 seconds +*** |--> disk read = 0.005496 seconds +*** |--> calc = 0.012397 seconds +*** Disk write bandwidth = 129.731476564307 MB/s +*** Disk read bandwidth = 152.393546513942 MB/s +*** Minimum energy = -107.199617421189 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199617421071 +Energy at sites (0, 1) is -107.199617421189 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421071 +Energy at sites (1, 2) is -107.199617421189 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199617421072 +Energy at sites (2, 3) is -107.199617421189 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.199617421072 +Energy at sites (3, 4) is -107.199617421189 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.199617421125 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.199617421881 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617421881 +Energy at sites (4, 5) is -107.199617421203 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (5, 6) is -107.199617421559 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (6, 7) is -107.199617421891 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617421881 +Energy at sites (7, 8) is -107.199617421891 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.735602 seconds -*** |--> S.join = 0.044103 seconds -*** |--> S.solve = 0.35926 seconds -*** |--> S.split = 0.12649 seconds -*** |--> Tensor update = 0.203246 seconds -*** |--> create = 0.011962 seconds -*** |--> destroy = 0.00112 seconds -*** |--> disk write = 0.006351 seconds -*** |--> disk read = 0.005149 seconds -*** |--> calc = 0.178603 seconds -*** Disk write bandwidth = 131.877646298319 MB/s -*** Disk read bandwidth = 163.367429412113 MB/s -*** Minimum energy = -107.199617421881 +*** Elapsed wall time = 0.077112 seconds +*** |--> S.join = 0.002548 seconds +*** |--> S.solve = 0.028681 seconds +*** |--> S.split = 0.007797 seconds +*** |--> Tensor update = 0.037645 seconds +*** |--> create = 0.011919 seconds +*** |--> destroy = 0.001233 seconds +*** |--> disk write = 0.006104 seconds +*** |--> disk read = 0.005065 seconds +*** |--> calc = 0.013285 seconds +*** Disk write bandwidth = 137.214110688176 MB/s +*** Disk read bandwidth = 166.076780660014 MB/s +*** Minimum energy = -107.199617421891 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.15182950569215e-07 +*** Energy difference with respect to previous leftright sweep = 1.72996024616623e-06 ****************************************************************** *** 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 = -107.199617421881 -*** Minimum energy encountered during the last sweep = -107.199617421881 +*** Minimum energy encountered during all instructions = -107.199617421891 +*** Minimum energy encountered during the last sweep = -107.199617421891 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.199617421892 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (7, 8) is -107.1996174219 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (6, 7) is -107.199617421909 - Stats: nIt(DAVIDSON) = 23 -Energy at sites (5, 6) is -107.199617421914 +Energy at sites (8, 9) is -107.199617421899 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (7, 8) is -107.199617421904 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (6, 7) is -107.199617421912 + Stats: nIt(DAVIDSON) = 22 +Energy at sites (5, 6) is -107.199617421913 Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -107.199617421918 +Energy at sites (4, 5) is -107.199617421915 Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -107.199617421919 - Stats: nIt(DAVIDSON) = 8 +Energy at sites (3, 4) is -107.199617421918 + Stats: nIt(DAVIDSON) = 9 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 = 1.933584 seconds -*** |--> S.join = 0.042914 seconds -*** |--> S.solve = 1.554997 seconds -*** |--> S.split = 0.117071 seconds -*** |--> Tensor update = 0.217103 seconds -*** |--> create = 0.011645 seconds -*** |--> destroy = 0.001153 seconds -*** |--> disk write = 0.006419 seconds -*** |--> disk read = 0.005242 seconds -*** |--> calc = 0.192587 seconds -*** Disk write bandwidth = 131.045161869913 MB/s -*** Disk read bandwidth = 159.777743540753 MB/s +*** Elapsed wall time = 0.185901 seconds +*** |--> S.join = 0.003352 seconds +*** |--> S.solve = 0.135981 seconds +*** |--> S.split = 0.007618 seconds +*** |--> Tensor update = 0.038438 seconds +*** |--> create = 0.012305 seconds +*** |--> destroy = 0.001283 seconds +*** |--> disk write = 0.006374 seconds +*** |--> disk read = 0.005827 seconds +*** |--> calc = 0.012615 seconds +*** Disk write bandwidth = 131.970331666609 MB/s +*** Disk read bandwidth = 143.73690263268 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 ****************************************************************** @@ -3428,33 +3464,33 @@ Energy at sites (1, 2) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421919 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.199617421919 Stats: nIt(DAVIDSON) = 7 +Energy at sites (3, 4) is -107.199617421919 + Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -107.199617421919 Stats: nIt(DAVIDSON) = 17 Energy at sites (5, 6) is -107.199617421919 - Stats: nIt(DAVIDSON) = 9 + 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 = 1.235483 seconds -*** |--> S.join = 0.054452 seconds -*** |--> S.solve = 0.844132 seconds -*** |--> S.split = 0.130147 seconds -*** |--> Tensor update = 0.204583 seconds -*** |--> create = 0.012025 seconds -*** |--> destroy = 0.001175 seconds -*** |--> disk write = 0.006548 seconds -*** |--> disk read = 0.005311 seconds -*** |--> calc = 0.179476 seconds -*** Disk write bandwidth = 127.91003843015 MB/s -*** Disk read bandwidth = 158.384276792124 MB/s +*** Elapsed wall time = 0.125201 seconds +*** |--> S.join = 0.002636 seconds +*** |--> S.solve = 0.076759 seconds +*** |--> S.split = 0.008308 seconds +*** |--> Tensor update = 0.037113 seconds +*** |--> create = 0.011905 seconds +*** |--> destroy = 0.001298 seconds +*** |--> disk write = 0.006307 seconds +*** |--> disk read = 0.005071 seconds +*** |--> calc = 0.012495 seconds +*** Disk write bandwidth = 132.797674273129 MB/s +*** Disk read bandwidth = 165.880278848939 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 3.74882347387029e-11 +*** Energy difference with respect to previous leftright sweep = 2.75690581474919e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3468,55 +3504,55 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421918 - NOON of irrep Ag = [ 1.99998814651158 , 1.98924041565729 , 1.87687858041161 ]. - NOON of irrep B2g = [ 0.139387811185383 ]. - NOON of irrep B3g = [ 1.03112739663033 ]. - NOON of irrep B1u = [ 1.99999431244148 , 1.10839164018569 , 0.0211636956756479 ]. - NOON of irrep B2u = [ 1.96715797393288 ]. - NOON of irrep B3u = [ 1.86667002736811 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149979997312764 , 0.0818410215766038 , 0.449623196866466 , 0.48664505534955 , 0.811029480947186 , 6.68868117879856e-05 , 0.96204661294961 , 0.112095070357284 , 0.167176148881899 , 0.475082460868008 ]. - Idistance(0) = 2.38445939078232 - Idistance(1) = 9.57998273141275 - Idistance(2) = 47.8783646412406 + Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919 + NOON of irrep Ag = [ 1.99998814651104 , 1.98924041565154 , 1.87687858029137 ]. + NOON of irrep B2g = [ 0.139387811140884 ]. + NOON of irrep B3g = [ 1.0311273968112 ]. + NOON of irrep B1u = [ 1.99999431244149 , 1.10839164027666 , 0.0211636956844037 ]. + NOON of irrep B2u = [ 1.96715797383549 ]. + NOON of irrep B3u = [ 1.86667002735593 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980002303131 , 0.081841021629837 , 0.449623197165081 , 0.486645055231997 , 0.811029481060807 , 6.68868116980221e-05 , 0.962046613090174 , 0.112095070392796 , 0.167176149293992 , 0.475082460859955 ]. + Idistance(0) = 2.38445938999194 + Idistance(1) = 9.57998272985032 + Idistance(2) = 47.8783646358498 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.860181 seconds -*** |--> MPS gauge change = 0.300315 seconds -*** |--> Diagram calc = 0.071518 seconds -*** |--> Tensor update = 0.48703 seconds -*** |--> create = 0.027341 seconds -*** |--> destroy = 0.003397 seconds -*** |--> disk write = 0.01535 seconds -*** |--> disk read = 0.012174 seconds -*** |--> calc = 0.428575 seconds -*** Disk write bandwidth = 111.117285315299 MB/s -*** Disk read bandwidth = 140.10599060209 MB/s +*** Elapsed wall time = 0.143788 seconds +*** |--> MPS gauge change = 0.02255 seconds +*** |--> Diagram calc = 0.008543 seconds +*** |--> Tensor update = 0.111965 seconds +*** |--> create = 0.034348 seconds +*** |--> destroy = 0.004125 seconds +*** |--> disk write = 0.017549 seconds +*** |--> disk read = 0.015175 seconds +*** |--> calc = 0.040599 seconds +*** Disk write bandwidth = 97.1935910644392 MB/s +*** Disk read bandwidth = 112.398703762098 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 = 13.37112 seconds -FCI::matvec : Wall time = 13.452425 seconds -FCI::matvec : Wall time = 13.419091 seconds -FCI::matvec : Wall time = 13.391854 seconds -FCI::matvec : Wall time = 13.344864 seconds -FCI::matvec : Wall time = 13.266771 seconds -FCI::matvec : Wall time = 13.37182 seconds -FCI::matvec : Wall time = 13.339872 seconds -FCI::matvec : Wall time = 13.155717 seconds -FCI::matvec : Wall time = 13.392722 seconds -FCI::matvec : Wall time = 13.35479 seconds -FCI::matvec : Wall time = 13.34791 seconds -FCI::matvec : Wall time = 13.171255 seconds -FCI::matvec : Wall time = 13.231881 seconds -FCI::matvec : Wall time = 13.351913 seconds -FCI::matvec : Wall time = 13.363614 seconds -FCI::matvec : Wall time = 13.363103 seconds -FCI::matvec : Wall time = 13.3563 seconds -FCI::matvec : Wall time = 12.975421 seconds -FCI::matvec : Wall time = 13.251116 seconds -FCI::matvec : Wall time = 13.327696 seconds +FCI::matvec : Wall time = 0.770978 seconds +FCI::matvec : Wall time = 0.731024 seconds +FCI::matvec : Wall time = 0.716592 seconds +FCI::matvec : Wall time = 0.715833 seconds +FCI::matvec : Wall time = 0.715238 seconds +FCI::matvec : Wall time = 0.713984 seconds +FCI::matvec : Wall time = 0.71346 seconds +FCI::matvec : Wall time = 0.725597 seconds +FCI::matvec : Wall time = 0.715947 seconds +FCI::matvec : Wall time = 0.776323 seconds +FCI::matvec : Wall time = 0.714437 seconds +FCI::matvec : Wall time = 0.716032 seconds +FCI::matvec : Wall time = 0.71555 seconds +FCI::matvec : Wall time = 0.715814 seconds +FCI::matvec : Wall time = 0.715624 seconds +FCI::matvec : Wall time = 0.718952 seconds +FCI::matvec : Wall time = 0.719083 seconds +FCI::matvec : Wall time = 0.716085 seconds +FCI::matvec : Wall time = 0.716255 seconds +FCI::matvec : Wall time = 0.715633 seconds +FCI::matvec : Wall time = 0.715052 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 @@ -3654,7 +3690,7 @@ dpkg-gensymbols: warning: some new symbols appeared in the symbols file: see diff output below dpkg-gensymbols: warning: debian/libchemps2-3t64/DEBIAN/symbols doesn't match completely debian/libchemps2-3t64.symbols --- debian/libchemps2-3t64.symbols (libchemps2-3t64_1.8.12-4_arm64) -+++ dpkg-gensymbolszRij2D 2026-04-19 05:00:08.387659440 -1200 ++++ dpkg-gensymbols1o6SGl 2025-03-18 00:44:39.669577577 +1400 @@ -142,12 +142,12 @@ _ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.8.7 _ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.8.7 @@ -3721,17 +3757,17 @@ diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dh_installdeb dh_gencontrol -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: Depends field of package chemps2-doc: substitution variable ${sphinxdoc:Depends} used, but is not defined dh_md5sums dh_builddeb dpkg-deb: building package 'libchemps2-3t64' in '../libchemps2-3t64_1.8.12-4_arm64.deb'. -dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-4_all.deb'. dpkg-deb: building package 'libchemps2-3t64-dbgsym' in '../libchemps2-3t64-dbgsym_1.8.12-4_arm64.deb'. dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.12-4_arm64.deb'. -dpkg-deb: building package 'python3-chemps2' in '../python3-chemps2_1.8.12-4_arm64.deb'. +dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-4_all.deb'. dpkg-deb: building package 'chemps2' in '../chemps2_1.8.12-4_arm64.deb'. dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.12-4_arm64.deb'. +dpkg-deb: building package 'python3-chemps2' in '../python3-chemps2_1.8.12-4_arm64.deb'. dpkg-deb: building package 'python3-chemps2-dbgsym' in '../python3-chemps2-dbgsym_1.8.12-4_arm64.deb'. dpkg-genbuildinfo --build=binary -O../chemps2_1.8.12-4_arm64.buildinfo dpkg-genchanges --build=binary -O../chemps2_1.8.12-4_arm64.changes @@ -3740,12 +3776,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/1156108/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/1156108/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/710814 and its subdirectories -I: Current time: Sun Apr 19 05:00:21 -12 2026 -I: pbuilder-time-stamp: 1776618021 +I: removing directory /srv/workspace/pbuilder/1156108 and its subdirectories +I: Current time: Tue Mar 18 00:44:44 +14 2025 +I: pbuilder-time-stamp: 1742208284