Diff of the two buildlogs: -- --- b1/build.log 2024-08-27 07:52:17.585487610 +0000 +++ b2/build.log 2024-08-27 09:48:07.429724878 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Mon Aug 26 19:43:44 -12 2024 -I: pbuilder-time-stamp: 1724744624 +I: Current time: Tue Sep 30 04:15:17 +14 2025 +I: pbuilder-time-stamp: 1759155317 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -27,53 +27,85 @@ dpkg-source: info: unpacking chemps2_1.8.12-3.1.debian.tar.xz I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/16531/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/13351/tmp/hooks/D01_modify_environment starting +debug: Running on infom08-i386. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Sep 29 14:15 /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/13351/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/13351/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='i386' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=6 ' - DISTRIBUTION='unstable' - HOME='/root' - HOST_ARCH='i386' + 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]="32" [3]="1" [4]="release" [5]="i686-pc-linux-gnu") + BASH_VERSION='5.2.32(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=i386 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=5 ' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=i686 + HOST_ARCH=i386 IFS=' ' - INVOCATION_ID='22551200d5f74084b2915dc61e683d0e' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - LD_LIBRARY_PATH='/usr/lib/libeatmydata' - LD_PRELOAD='libeatmydata.so' - 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='16531' - PS1='# ' - PS2='> ' + INVOCATION_ID=ed9684c27d674cd2b8b37b320761b168 + LANG=C + LANGUAGE=de_CH:de + LC_ALL=C + LD_LIBRARY_PATH=/usr/lib/libeatmydata + LD_PRELOAD=libeatmydata.so + MACHTYPE=i686-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=13351 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.wdsYZaG4/pbuilderrc_d99X --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.wdsYZaG4/b1 --logfile b1/build.log chemps2_1.8.12-3.1.dsc' - SUDO_GID='111' - SUDO_UID='104' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' + 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.wdsYZaG4/pbuilderrc_r3Ga --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.wdsYZaG4/b2 --logfile b2/build.log chemps2_1.8.12-3.1.dsc' + SUDO_GID=111 + SUDO_UID=104 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' I: uname -a - Linux infom07-i386 6.1.0-23-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.99-1 (2024-07-15) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.9.7+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.9.7-1~bpo12+1 (2024-07-03) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Aug 4 21:30 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/16531/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Aug 4 2024 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/13351/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -299,7 +331,7 @@ Get: 158 http://deb.debian.org/debian unstable/main i386 python3-snowballstemmer all 2.2.0-4 [58.0 kB] Get: 159 http://deb.debian.org/debian unstable/main i386 sphinx-common all 7.4.7-3 [731 kB] Get: 160 http://deb.debian.org/debian unstable/main i386 python3-sphinx all 7.4.7-3 [588 kB] -Fetched 104 MB in 1s (127 MB/s) +Fetched 104 MB in 1s (125 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.12-minimal:i386. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19757 files and directories currently installed.) @@ -827,8 +859,8 @@ Setting up tzdata (2024a-4) ... Current default time zone: 'Etc/UTC' -Local time is now: Tue Aug 27 07:44:27 UTC 2024. -Universal Time is now: Tue Aug 27 07:44:27 UTC 2024. +Local time is now: Mon Sep 29 14:15:48 UTC 2025. +Universal Time is now: Mon Sep 29 14:15:48 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... @@ -983,7 +1015,11 @@ 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_1.8.12-3.1_source.changes +I: user script /srv/workspace/pbuilder/13351/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/13351/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_1.8.12-3.1_source.changes dpkg-buildpackage: info: source package chemps2 dpkg-buildpackage: info: source version 1.8.12-3.1 dpkg-buildpackage: info: source distribution unstable @@ -1051,7 +1087,7 @@ -- HDF5 detected. -- Found TargetHDF5: Found HDF5: /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/i386-linux-gnu/libcrypto.so;/usr/lib/i386-linux-gnu/libcurl.so;/usr/lib/i386-linux-gnu/libpthread.a;/usr/lib/i386-linux-gnu/libsz.so;/usr/lib/i386-linux-gnu/libz.so;/usr/lib/i386-linux-gnu/libdl.a;/usr/lib/i386-linux-gnu/libm.so (found version 1.10.10) (found version "1.10.10") -- Found Sphinx: /usr/bin/sphinx-build --- Configuring done (2.4s) +-- Configuring done (4.2s) -- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: @@ -1066,7 +1102,7 @@ debian/rules override_dh_auto_build make[1]: Entering directory '/build/reproducible-path/chemps2-1.8.12' dh_auto_build -- VERBOSE=1 - cd obj-i686-linux-gnu && make -j6 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1 + cd obj-i686-linux-gnu && make -j5 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1 make[2]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/chemps2-1.8.12 -B/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CMakeFiles /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu//CMakeFiles/progress.marks @@ -1078,16 +1114,16 @@ make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu' -[ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o +[ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASPT2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASPT2.cpp +[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCFdebug.cpp -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCFnewtonraphson.cpp -[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o +[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCF.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCF.cpp +[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCFpt2.cpp -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASPT2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASPT2.cpp +[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCFnewtonraphson.cpp [ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -MF CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/ConjugateGradient.cpp [ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o @@ -1130,19 +1166,19 @@ cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o -MF CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o.d -o CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/EdmistonRuedenberg.cpp [ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o -MF CMakeFiles/chemps2-base.dir/Excitation.cpp.o.d -o CMakeFiles/chemps2-base.dir/Excitation.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Excitation.cpp -[ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o -MF CMakeFiles/chemps2-base.dir/FCI.cpp.o.d -o CMakeFiles/chemps2-base.dir/FCI.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/FCI.cpp -[ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o +[ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o -MF CMakeFiles/chemps2-base.dir/FourIndex.cpp.o.d -o CMakeFiles/chemps2-base.dir/FourIndex.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/FourIndex.cpp +[ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o -MF CMakeFiles/chemps2-base.dir/FCI.cpp.o.d -o CMakeFiles/chemps2-base.dir/FCI.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/FCI.cpp [ 31%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o -MF CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o.d -o CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Hamiltonian.cpp [ 32%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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 -[ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -[ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o +[ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -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-i686-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 -Wformat -Werror=format-security -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 [ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams3.cpp @@ -1193,30 +1229,30 @@ [ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o -MF CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/ThreeDM.cpp [ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -[ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -MF CMakeFiles/chemps2-base.dir/TwoDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TwoDM.cpp +[ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -MF CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o.d -o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TwoIndex.cpp [ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o -MF CMakeFiles/chemps2-base.dir/Wigner.cpp.o.d -o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Wigner.cpp make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' [ 65%] Built target chemps2-base make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/depend -make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/depend cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-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-i686-linux-gnu' [ 66%] Linking CXX shared library libchemps2.so cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-shared.dir/link.txt --verbose=1 +/usr/bin/c++ -fPIC -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libchemps2.so.3 -o libchemps2.so.3 "CMakeFiles/chemps2-base.dir/CASPT2.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCF.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o" "CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o" 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"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" -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/usr/lib/i386-linux-gnu/hdf5/serial: -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm [ 67%] Linking CXX static library libchemps2.a cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 && /usr/bin/cmake -P CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake -/usr/bin/c++ -fPIC -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libchemps2.so.3 -o libchemps2.so.3 "CMakeFiles/chemps2-base.dir/CASPT2.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCF.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o" "CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o" "CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o" "CMakeFiles/chemps2-base.dir/Correlations.cpp.o" "CMakeFiles/chemps2-base.dir/Cumulant.cpp.o" "CMakeFiles/chemps2-base.dir/Davidson.cpp.o" "CMakeFiles/chemps2-base.dir/DIIS.cpp.o" "CMakeFiles/chemps2-base.dir/DMRG.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o" "CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o" "CMakeFiles/chemps2-base.dir/Excitation.cpp.o" "CMakeFiles/chemps2-base.dir/FCI.cpp.o" "CMakeFiles/chemps2-base.dir/FourIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o" "CMakeFiles/chemps2-base.dir/Heff.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o" "CMakeFiles/chemps2-base.dir/Initialize.cpp.o" "CMakeFiles/chemps2-base.dir/Irreps.cpp.o" "CMakeFiles/chemps2-base.dir/Molden.cpp.o" "CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o" "CMakeFiles/chemps2-base.dir/Problem.cpp.o" "CMakeFiles/chemps2-base.dir/Sobject.cpp.o" "CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o" "CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorKM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorL.cpp.o" "CMakeFiles/chemps2-base.dir/TensorO.cpp.o" "CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o" "CMakeFiles/chemps2-base.dir/TensorQ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorT.cpp.o" "CMakeFiles/chemps2-base.dir/TensorX.cpp.o" "CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Wigner.cpp.o" -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/usr/lib/i386-linux-gnu/hdf5/serial: -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 @@ -1228,199 +1264,199 @@ make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' [ 67%] Built target chemps2-shared make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/depend -make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/depend -make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake "--color=" +make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/depend +make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/depend +make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test2.dir/DependInfo.cmake "--color=" -make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/depend +make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake "--color=" -make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake "--color=" -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-i686-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build +make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/build +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build -make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' 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-i686-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 68%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test1.dir/tests/test1.cpp.o -MF CMakeFiles/test1.dir/tests/test1.cpp.o.d -o CMakeFiles/test1.dir/tests/test1.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test1.cpp -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/build -[ 69%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o -[ 70%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test5.dir/tests/test5.cpp.o -MF CMakeFiles/test5.dir/tests/test5.cpp.o.d -o CMakeFiles/test5.dir/tests/test5.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test5.cpp -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test3.dir/tests/test3.cpp.o -MF CMakeFiles/test3.dir/tests/test3.cpp.o.d -o CMakeFiles/test3.dir/tests/test3.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test3.cpp -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 71%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -MF CMakeFiles/chemps2-bin.dir/executable.cpp.o.d -o CMakeFiles/chemps2-bin.dir/executable.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/executable.cpp -[ 72%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o +[ 68%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test1.dir/tests/test1.cpp.o -MF CMakeFiles/test1.dir/tests/test1.cpp.o.d -o CMakeFiles/test1.dir/tests/test1.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test1.cpp +[ 69%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o +[ 70%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o +[ 71%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test2.dir/tests/test2.cpp.o -MF CMakeFiles/test2.dir/tests/test2.cpp.o.d -o CMakeFiles/test2.dir/tests/test2.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test2.cpp -[ 73%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test4.dir/tests/test4.cpp.o -MF CMakeFiles/test4.dir/tests/test4.cpp.o.d -o CMakeFiles/test4.dir/tests/test4.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test4.cpp -[ 75%] Linking CXX executable test3 -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3.dir/link.txt --verbose=1 -[ 76%] Linking CXX executable test2 +[ 72%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test3.dir/tests/test3.cpp.o -MF CMakeFiles/test3.dir/tests/test3.cpp.o.d -o CMakeFiles/test3.dir/tests/test3.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test3.cpp +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -MF CMakeFiles/chemps2-bin.dir/executable.cpp.o.d -o CMakeFiles/chemps2-bin.dir/executable.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/executable.cpp +[ 73%] Linking CXX executable test4 +[ 75%] Linking CXX executable test2 +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test4.dir/link.txt --verbose=1 cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test2.dir/link.txt --verbose=1 +[ 76%] Linking CXX executable test3 +[ 77%] Linking CXX executable test1 +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3.dir/link.txt --verbose=1 +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test1.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test3.dir/tests/test3.cpp.o -o test3 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test2.dir/tests/test2.cpp.o -o test2 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 77%] Linking CXX executable test5 -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test5.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test5.dir/tests/test5.cpp.o -o test5 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 78%] Linking CXX executable test4 -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test4.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test4.dir/tests/test4.cpp.o -o test4 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 79%] Linking CXX executable test1 -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test1.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 80%] Linking CXX executable chemps2 +[ 78%] Linking CXX executable chemps2 cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic "CMakeFiles/chemps2-bin.dir/executable.cpp.o" -o chemps2 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial: libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-linux-gnu' -[ 80%] Built target test1 -make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend +[ 78%] Built target test1 +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-i686-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +[ 79%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test5.dir/tests/test5.cpp.o -MF CMakeFiles/test5.dir/tests/test5.cpp.o.d -o CMakeFiles/test5.dir/tests/test5.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test5.cpp make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/build make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +[ 79%] Built target test4 +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +[ 79%] Built target test3 +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-i686-linux-gnu' -[ 80%] Built target test3 make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/depend +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake "--color=" -[ 80%] Built target test2 +[ 79%] Built target test2 +make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/depend +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake "--color=" +make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/build make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build -make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 81%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o -[ 82%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o +[ 80%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test7.dir/tests/test7.cpp.o -MF CMakeFiles/test7.dir/tests/test7.cpp.o.d -o CMakeFiles/test7.dir/tests/test7.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test7.cpp +[ 81%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test6.dir/tests/test6.cpp.o -MF CMakeFiles/test6.dir/tests/test6.cpp.o.d -o CMakeFiles/test6.dir/tests/test6.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test6.cpp make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu' -[ 82%] Built target test4 +[ 82%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test8.dir/tests/test8.cpp.o -MF CMakeFiles/test8.dir/tests/test8.cpp.o.d -o CMakeFiles/test8.dir/tests/test8.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test8.cpp +[ 83%] Linking CXX executable test5 +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test5.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test5.dir/tests/test5.cpp.o -o test5 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[ 84%] Linking CXX executable test7 +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test7.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[ 85%] Linking CXX executable test6 +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test6.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test6.dir/tests/test6.cpp.o -o test6 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[ 86%] Linking CXX executable test8 +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test8.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test8.dir/tests/test8.cpp.o -o test8 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-linux-gnu' +[ 86%] Built target test5 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-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake "--color=" -[ 83%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test8.dir/tests/test8.cpp.o -MF CMakeFiles/test8.dir/tests/test8.cpp.o.d -o CMakeFiles/test8.dir/tests/test8.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test8.cpp make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 84%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o +[ 88%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test9.dir/tests/test9.cpp.o -MF CMakeFiles/test9.dir/tests/test9.cpp.o.d -o CMakeFiles/test9.dir/tests/test9.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test9.cpp make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 84%] Built target test5 +[ 88%] Built target test6 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-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 85%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o +[ 89%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test10.dir/tests/test10.cpp.o -MF CMakeFiles/test10.dir/tests/test10.cpp.o.d -o CMakeFiles/test10.dir/tests/test10.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test10.cpp -[ 86%] Linking CXX executable test7 -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test7.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 88%] Linking CXX executable test6 -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test6.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test6.dir/tests/test6.cpp.o -o test6 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 89%] Linking CXX executable test8 -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test8.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test8.dir/tests/test8.cpp.o -o test8 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 90%] Linking CXX executable test9 -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test9.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test9.dir/tests/test9.cpp.o -o test9 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 91%] Linking CXX executable test10 -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test10.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-linux-gnu' -[ 91%] Built target test8 +[ 89%] Built target test7 make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test11.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu' -[ 92%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o +[ 90%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test11.dir/tests/test11.cpp.o -MF CMakeFiles/test11.dir/tests/test11.cpp.o.d -o CMakeFiles/test11.dir/tests/test11.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test11.cpp make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 92%] Built target test7 +[ 90%] Built target test8 make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/depend -[ 92%] Built target test6 make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu' +[ 91%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test12.dir/tests/test12.cpp.o -MF CMakeFiles/test12.dir/tests/test12.cpp.o.d -o CMakeFiles/test12.dir/tests/test12.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test12.cpp +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +[ 91%] Built target chemps2-bin make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/depend make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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-i686-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.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-i686-linux-gnu' +[ 92%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test13.dir/tests/test13.cpp.o -MF CMakeFiles/test13.dir/tests/test13.cpp.o.d -o CMakeFiles/test13.dir/tests/test13.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test13.cpp +[ 93%] Linking CXX executable test9 +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test9.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test9.dir/tests/test9.cpp.o -o test9 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[ 94%] Linking CXX executable test10 +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test10.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[ 95%] Linking CXX executable test11 +cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test11.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 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-Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test12.dir/tests/test12.cpp.o -o test12 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-linux-gnu' -make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/build make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 93%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test12.dir/tests/test12.cpp.o -MF CMakeFiles/test12.dir/tests/test12.cpp.o.d -o CMakeFiles/test12.dir/tests/test12.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test12.cpp -make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 93%] Built target test9 +[ 96%] Built target test9 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-i686-linux-gnu' cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 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Built target test10 make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 95%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o +[ 97%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test14.dir/tests/test14.cpp.o -MF CMakeFiles/test14.dir/tests/test14.cpp.o.d -o CMakeFiles/test14.dir/tests/test14.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test14.cpp -[ 95%] Built target chemps2-bin make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 95%] Built target test10 -[ 96%] Linking CXX executable test11 -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test11.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test11.dir/tests/test11.cpp.o -o test11 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm -[ 97%] Linking CXX executable test12 -cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test12.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test12.dir/tests/test12.cpp.o -o test12 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm +[ 97%] Built target test12 [ 98%] Linking CXX executable test13 cd /build/reproducible-path/chemps2-1.8.12/obj-i686-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 -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test13.dir/tests/test13.cpp.o -o test13 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-linux-gnu' +[ 98%] Built target test11 +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +[ 98%] Built target test13 [100%] Linking CXX executable test14 cd /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test14.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test14.dir/tests/test14.cpp.o -o test14 -L/usr/lib/libeatmydata -Wl,-rpath,/usr/lib/libeatmydata:/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/i386-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-i686-linux-gnu' -[100%] Built target test12 -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[100%] Built target test11 -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[100%] Built target test13 -make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' [100%] Built target test14 make[3]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/CMakeFiles 0 @@ -1517,15 +1553,15 @@ cd obj-i686-linux-gnu/ && ctest -R "^test3|^test5|^test8" Test project /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu Start 3: test3 -1/3 Test #3: test3 ............................ Passed 64.56 sec +1/3 Test #3: test3 ............................ Passed 503.99 sec Start 5: test5 -2/3 Test #5: test5 ............................ Passed 19.85 sec +2/3 Test #5: test5 ............................ Passed 104.24 sec Start 8: test8 -3/3 Test #8: test8 ............................ Passed 59.69 sec +3/3 Test #8: test8 ............................ Passed 575.20 sec 100% tests passed, 0 tests failed out of 3 -Total Test time (real) = 144.10 sec +Total Test time (real) = 1183.44 sec cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-x86_64-cpython-312:.. \ LD_LIBRARY_PATH=../../obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial \ python3 test1.py @@ -1549,178 +1585,178 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 10 -Energy at sites (8, 9) is -101.909160146187 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (7, 8) is -106.852455375389 - Stats: nIt(DAVIDSON) = 53 -Energy at sites (6, 7) is -106.870951979121 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (8, 9) is -103.694266035726 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (7, 8) is -106.853005039802 Stats: nIt(DAVIDSON) = 61 -Energy at sites (5, 6) is -106.908509431188 - Stats: nIt(DAVIDSON) = 45 -Energy at sites (4, 5) is -107.634453758782 +Energy at sites (6, 7) is -106.877049114898 + Stats: nIt(DAVIDSON) = 75 +Energy at sites (5, 6) is -106.913660859188 + Stats: nIt(DAVIDSON) = 38 +Energy at sites (4, 5) is -107.62940804778 Stats: nIt(DAVIDSON) = 23 -Energy at sites (3, 4) is -107.647991407542 +Energy at sites (3, 4) is -107.648032995119 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.647991407542 +Energy at sites (2, 3) is -107.648032995119 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.647991407542 +Energy at sites (1, 2) is -107.648032995119 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 3.070961 seconds -*** |--> S.join = 0.074157 seconds -*** |--> S.solve = 2.552679 seconds -*** |--> S.split = 0.180083 seconds -*** |--> Tensor update = 0.263872 seconds -*** |--> create = 0.015282 seconds -*** |--> destroy = 0.001233 seconds -*** |--> disk write = 0.009823 seconds -*** |--> disk read = 0.005783 seconds -*** |--> calc = 0.231718 seconds -*** Disk write bandwidth = 59.6518770420028 MB/s -*** Disk read bandwidth = 101.667651869569 MB/s -*** Minimum energy = -107.647991407542 +*** Elapsed wall time = 12.212196 seconds +*** |--> S.join = 0.22518 seconds +*** |--> S.solve = 10.790719 seconds +*** |--> S.split = 0.443549 seconds +*** |--> Tensor update = 0.751868 seconds +*** |--> create = 0.010328 seconds +*** |--> destroy = 0.000755 seconds +*** |--> disk write = 0.007224 seconds +*** |--> disk read = 0.003955 seconds +*** |--> calc = 0.729563 seconds +*** Disk write bandwidth = 81.1130105459017 MB/s +*** Disk read bandwidth = 148.658414857577 MB/s +*** Minimum energy = -107.648032995119 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.647991407542 +Energy at sites (0, 1) is -107.648032995119 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.647991407542 +Energy at sites (1, 2) is -107.648032995119 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.647991407542 +Energy at sites (2, 3) is -107.648032995119 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.647991407542 +Energy at sites (3, 4) is -107.648032995119 Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.648002458691 +Energy at sites (4, 5) is -107.648059355377 Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.648250445412 +Energy at sites (5, 6) is -107.648250498022 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250445412 +Energy at sites (6, 7) is -107.648250498022 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250445412 +Energy at sites (7, 8) is -107.648250498022 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 1.452601 seconds -*** |--> S.join = 0.097174 seconds -*** |--> S.solve = 0.764517 seconds -*** |--> S.split = 0.247985 seconds -*** |--> Tensor update = 0.342726 seconds -*** |--> create = 0.016043 seconds -*** |--> destroy = 0.001244 seconds -*** |--> disk write = 0.007851 seconds -*** |--> disk read = 0.00466 seconds -*** |--> calc = 0.31289 seconds -*** Disk write bandwidth = 74.8877889137331 MB/s -*** Disk read bandwidth = 125.742572571587 MB/s -*** Minimum energy = -107.648250445412 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.648250445412 +*** Elapsed wall time = 3.023201 seconds +*** |--> S.join = 0.208224 seconds +*** |--> S.solve = 1.573292 seconds +*** |--> S.split = 0.466872 seconds +*** |--> Tensor update = 0.773635 seconds +*** |--> create = 0.01653 seconds +*** |--> destroy = 0.000917 seconds +*** |--> disk write = 0.006916 seconds +*** |--> disk read = 0.004119 seconds +*** |--> calc = 0.745108 seconds +*** Disk write bandwidth = 85.012150196894 MB/s +*** Disk read bandwidth = 142.257923812477 MB/s +*** Minimum energy = -107.648250498022 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.648250498022 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.648250445412 +Energy at sites (8, 9) is -107.648250498022 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250445412 +Energy at sites (7, 8) is -107.648250498022 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250445412 +Energy at sites (6, 7) is -107.648250498022 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.648250445412 +Energy at sites (5, 6) is -107.648250498022 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.648250870882 +Energy at sites (4, 5) is -107.648250908016 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.648250972158 +Energy at sites (3, 4) is -107.648250971703 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250972158 +Energy at sites (2, 3) is -107.648250971703 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250972158 +Energy at sites (1, 2) is -107.648250971703 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 1.335799 seconds -*** |--> S.join = 0.09245 seconds -*** |--> S.solve = 0.684866 seconds -*** |--> S.split = 0.227222 seconds -*** |--> Tensor update = 0.331071 seconds -*** |--> create = 0.011786 seconds -*** |--> destroy = 0.001047 seconds -*** |--> disk write = 0.007804 seconds -*** |--> disk read = 0.004684 seconds -*** |--> calc = 0.305718 seconds -*** Disk write bandwidth = 75.0846217559705 MB/s -*** Disk read bandwidth = 125.521782827011 MB/s -*** Minimum energy = -107.648250972158 +*** Elapsed wall time = 2.812426 seconds +*** |--> S.join = 0.189712 seconds +*** |--> S.solve = 1.477851 seconds +*** |--> S.split = 0.417382 seconds +*** |--> Tensor update = 0.72255 seconds +*** |--> create = 0.010421 seconds +*** |--> destroy = 0.000958 seconds +*** |--> disk write = 0.006767 seconds +*** |--> disk read = 0.004052 seconds +*** |--> calc = 0.700314 seconds +*** Disk write bandwidth = 86.5908656987725 MB/s +*** Disk read bandwidth = 145.099711441688 MB/s +*** Minimum energy = -107.648250971703 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.648250972158 +Energy at sites (0, 1) is -107.648250971703 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250972158 +Energy at sites (1, 2) is -107.648250971703 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250972158 +Energy at sites (2, 3) is -107.648250971703 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648250972158 +Energy at sites (3, 4) is -107.648250971703 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.64825097221 +Energy at sites (4, 5) is -107.648250971752 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.648250973998 +Energy at sites (5, 6) is -107.648250973989 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250973998 +Energy at sites (6, 7) is -107.648250973989 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250973998 +Energy at sites (7, 8) is -107.648250973989 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 1.155704 seconds -*** |--> S.join = 0.077764 seconds -*** |--> S.solve = 0.54725 seconds -*** |--> S.split = 0.195673 seconds -*** |--> Tensor update = 0.334779 seconds -*** |--> create = 0.011843 seconds -*** |--> destroy = 0.000945 seconds -*** |--> disk write = 0.007414 seconds -*** |--> disk read = 0.004673 seconds -*** |--> calc = 0.309874 seconds -*** Disk write bandwidth = 79.3018654925437 MB/s -*** Disk read bandwidth = 125.392764430472 MB/s -*** Minimum energy = -107.648250973998 +*** Elapsed wall time = 2.745056 seconds +*** |--> S.join = 0.204588 seconds +*** |--> S.solve = 1.268835 seconds +*** |--> S.split = 0.530356 seconds +*** |--> Tensor update = 0.730854 seconds +*** |--> create = 0.010495 seconds +*** |--> destroy = 0.000893 seconds +*** |--> disk write = 0.006748 seconds +*** |--> disk read = 0.003987 seconds +*** |--> calc = 0.708698 seconds +*** Disk write bandwidth = 87.1286352640366 MB/s +*** Disk read bandwidth = 146.967742208075 MB/s +*** Minimum energy = -107.648250973989 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.28586468817593e-07 +*** Energy difference with respect to previous leftright sweep = 4.75966999147204e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 1685 -*** Minimum energy encountered during all instructions = -107.648250973998 -*** Minimum energy encountered during the last sweep = -107.648250973998 +*** Minimum energy encountered during all instructions = -107.648250973989 +*** Minimum energy encountered during the last sweep = -107.648250973989 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 6 -Energy at sites (8, 9) is -107.648250973999 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -107.648250974 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (8, 9) is -107.64825097399 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (7, 8) is -107.648250973992 Stats: nIt(DAVIDSON) = 10 -Energy at sites (6, 7) is -107.648250974002 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (5, 6) is -107.648250974002 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.648250974005 +Energy at sites (6, 7) is -107.648250973995 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (5, 6) is -107.648250973995 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (4, 5) is -107.648250974007 Stats: nIt(DAVIDSON) = 12 -Energy at sites (3, 4) is -107.648250974014 +Energy at sites (3, 4) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250974013 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 2.336323 seconds -*** |--> S.join = 0.090988 seconds -*** |--> S.solve = 1.633391 seconds -*** |--> S.split = 0.228337 seconds -*** |--> Tensor update = 0.382851 seconds -*** |--> create = 0.013734 seconds -*** |--> destroy = 0.001242 seconds -*** |--> disk write = 0.009351 seconds -*** |--> disk read = 0.0052 seconds -*** |--> calc = 0.353285 seconds -*** Disk write bandwidth = 62.6628583235583 MB/s -*** Disk read bandwidth = 113.066159761869 MB/s -*** Minimum energy = -107.648250974014 +*** Elapsed wall time = 4.739065 seconds +*** |--> S.join = 0.254446 seconds +*** |--> S.solve = 3.34866 seconds +*** |--> S.split = 0.480829 seconds +*** |--> Tensor update = 0.654203 seconds +*** |--> create = 0.010388 seconds +*** |--> destroy = 0.000907 seconds +*** |--> disk write = 0.006776 seconds +*** |--> disk read = 0.004022 seconds +*** |--> calc = 0.632073 seconds +*** Disk write bandwidth = 86.475854218358 MB/s +*** Disk read bandwidth = 146.182006653834 MB/s +*** Minimum energy = -107.648250974013 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 @@ -1730,9 +1766,9 @@ Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648250974014 +Energy at sites (3, 4) is -107.648250974013 Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.648250974014 +Energy at sites (4, 5) is -107.648250974013 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 @@ -1741,21 +1777,21 @@ Energy at sites (7, 8) is -107.648250974014 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.92446 seconds -*** |--> S.join = 0.052154 seconds -*** |--> S.solve = 0.492219 seconds -*** |--> S.split = 0.143633 seconds -*** |--> Tensor update = 0.236247 seconds -*** |--> create = 0.014829 seconds -*** |--> destroy = 0.001543 seconds -*** |--> disk write = 0.010124 seconds -*** |--> disk read = 0.006275 seconds -*** |--> calc = 0.20343 seconds -*** Disk write bandwidth = 58.0742819796245 MB/s -*** Disk read bandwidth = 93.3801415432022 MB/s +*** Elapsed wall time = 2.925256 seconds +*** |--> S.join = 0.209037 seconds +*** |--> S.solve = 1.590918 seconds +*** |--> S.split = 0.452601 seconds +*** |--> Tensor update = 0.668021 seconds +*** |--> create = 0.010495 seconds +*** |--> destroy = 0.000925 seconds +*** |--> disk write = 0.007104 seconds +*** |--> disk read = 0.003999 seconds +*** |--> calc = 0.64546 seconds +*** Disk write bandwidth = 82.7623917175843 MB/s +*** Disk read bandwidth = 146.52672872808 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.54614099301398e-11 +*** Energy difference with respect to previous leftright sweep = 2.45563569478691e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -1769,54 +1805,54 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974014 - NOON of irrep Ag = [ 1.99999530444291 , 1.99487994128384 , 1.98267954065123 ]. - NOON of irrep B2g = [ 0.0748715521686835 ]. - NOON of irrep B3g = [ 0.0748715523033104 ]. - NOON of irrep B1u = [ 1.9999968183922 , 1.98658242713951 , 0.0188079712731524 ]. - NOON of irrep B2u = [ 1.93365744619191 ]. - NOON of irrep B3u = [ 1.93365744615326 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009426497312 , 0.0515866768988165 , 0.0764971089844277 , 0.257716818720176 , 0.257716818910655 , 8.47155300341883e-05 , 0.0462800404077656 , 0.100736303658219 , 0.241506019555823 , 0.241506019687596 ]. - Idistance(0) = 1.30939331109307 - Idistance(1) = 5.42402999302301 - Idistance(2) = 26.7355487839205 + Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974013 + NOON of irrep Ag = [ 1.9999953044426 , 1.99487994124267 , 1.98267954080094 ]. + NOON of irrep B2g = [ 0.0748715519734878 ]. + NOON of irrep B3g = [ 0.074871552834925 ]. + NOON of irrep B1u = [ 1.99999681839216 , 1.9865824270089 , 0.0188079711883044 ]. + NOON of irrep B2u = [ 1.93365744609743 ]. + NOON of irrep B3u = [ 1.93365744601858 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009432004261 , 0.0515866792954829 , 0.0764971071880075 , 0.257716818480512 , 0.257716819811815 , 8.47155302520343e-05 , 0.0462800407287268 , 0.100736303122912 , 0.241506019661026 , 0.241506020067298 ]. + Idistance(0) = 1.30939331313085 + Idistance(1) = 5.42403000640968 + Idistance(2) = 26.7355488614382 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 1.480571 seconds -*** |--> MPS gauge change = 0.529563 seconds -*** |--> Diagram calc = 0.115032 seconds -*** |--> Tensor update = 0.835363 seconds -*** |--> create = 0.030334 seconds -*** |--> destroy = 0.003347 seconds -*** |--> disk write = 0.018945 seconds -*** |--> disk read = 0.01138 seconds -*** |--> calc = 0.771217999999999 seconds -*** Disk write bandwidth = 62.8465585514813 MB/s -*** Disk read bandwidth = 104.624609117558 MB/s +*** Elapsed wall time = 3.535259 seconds +*** |--> MPS gauge change = 1.083455 seconds +*** |--> Diagram calc = 0.22629 seconds +*** |--> Tensor update = 2.220316 seconds +*** |--> create = 0.025382 seconds +*** |--> destroy = 0.002969 seconds +*** |--> disk write = 0.460729 seconds +*** |--> disk read = 0.03365 seconds +*** |--> calc = 1.697383 seconds +*** Disk write bandwidth = 2.58422641456868 MB/s +*** Disk read bandwidth = 35.3827058471861 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 = 15.922409 seconds -FCI::matvec : Wall time = 0.286776 seconds -FCI::matvec : Wall time = 0.146432 seconds -FCI::matvec : Wall time = 0.166563 seconds -FCI::matvec : Wall time = 3.736815 seconds -FCI::matvec : Wall time = 0.897732 seconds -FCI::matvec : Wall time = 0.358409 seconds -FCI::matvec : Wall time = 13.924492 seconds -FCI::matvec : Wall time = 0.030669 seconds -FCI::matvec : Wall time = 1.81402 seconds -FCI::matvec : Wall time = 1.385114 seconds -FCI::matvec : Wall time = 0.015106 seconds -FCI::matvec : Wall time = 0.01904 seconds -FCI::matvec : Wall time = 0.014155 seconds -FCI::matvec : Wall time = 0.013848 seconds -FCI::matvec : Wall time = 0.023751 seconds -FCI::matvec : Wall time = 0.013488 seconds -FCI::matvec : Wall time = 0.017338 seconds +FCI::matvec : Wall time = 47.06219 seconds +FCI::matvec : Wall time = 50.794084 seconds +FCI::matvec : Wall time = -34410115.767764 seconds +FCI::matvec : Wall time = 34410246.055817 seconds +FCI::matvec : Wall time = 66.679834 seconds +FCI::matvec : Wall time = 50.655822 seconds +FCI::matvec : Wall time = 42.991676 seconds +FCI::matvec : Wall time = 39.951748 seconds +FCI::matvec : Wall time = 38.143775 seconds +FCI::matvec : Wall time = 41.451557 seconds +FCI::matvec : Wall time = 40.723683 seconds +FCI::matvec : Wall time = 39.177592 seconds +FCI::matvec : Wall time = 46.333827 seconds +FCI::matvec : Wall time = 45.971652 seconds +FCI::matvec : Wall time = 44.423605 seconds +FCI::matvec : Wall time = 43.48355 seconds +FCI::matvec : Wall time = 43.675591 seconds +FCI::matvec : Wall time = 61.031587 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974014 -FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -1.36411770004816e-18 and intended S(S+1) = 0 +FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -1.36411770003988e-18 and intended S(S+1) = 0 Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry @@ -1836,177 +1872,177 @@ 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) = 17 -Energy at sites (8, 9) is -103.702529112996 - Stats: nIt(DAVIDSON) = 45 -Energy at sites (7, 8) is -106.33196449952 - Stats: nIt(DAVIDSON) = 39 -Energy at sites (6, 7) is -106.370136064131 - Stats: nIt(DAVIDSON) = 61 -Energy at sites (5, 6) is -107.318225125001 - Stats: nIt(DAVIDSON) = 45 -Energy at sites (4, 5) is -107.325746096128 - Stats: nIt(DAVIDSON) = 26 -Energy at sites (3, 4) is -107.328762907721 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (2, 3) is -107.328764527178 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (8, 9) is -102.969999748561 + Stats: nIt(DAVIDSON) = 25 +Energy at sites (7, 8) is -106.328648755741 + Stats: nIt(DAVIDSON) = 42 +Energy at sites (6, 7) is -106.501923276014 + Stats: nIt(DAVIDSON) = 58 +Energy at sites (5, 6) is -107.318016058887 + Stats: nIt(DAVIDSON) = 47 +Energy at sites (4, 5) is -107.325855280504 + Stats: nIt(DAVIDSON) = 23 +Energy at sites (3, 4) is -107.328763220437 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (2, 3) is -107.328764764443 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328764527178 +Energy at sites (1, 2) is -107.328764764443 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 4.440608 seconds -*** |--> S.join = 0.064357 seconds -*** |--> S.solve = 4.071435 seconds -*** |--> S.split = 0.112302 seconds -*** |--> Tensor update = 0.19232 seconds -*** |--> create = 0.014921 seconds -*** |--> destroy = 0.001591 seconds -*** |--> disk write = 0.009115 seconds -*** |--> disk read = 0.005339 seconds -*** |--> calc = 0.161322 seconds -*** Disk write bandwidth = 92.6852160865503 MB/s -*** Disk read bandwidth = 157.557928868058 MB/s -*** Minimum energy = -107.328764527178 +*** Elapsed wall time = 12.892016 seconds +*** |--> S.join = 0.263126 seconds +*** |--> S.solve = 11.396593 seconds +*** |--> S.split = 0.50758 seconds +*** |--> Tensor update = 0.724171 seconds +*** |--> create = 0.011973 seconds +*** |--> destroy = 0.000995 seconds +*** |--> disk write = 0.030201 seconds +*** |--> disk read = 0.004248 seconds +*** |--> calc = 0.676715 seconds +*** Disk write bandwidth = 27.9734361322111 MB/s +*** Disk read bandwidth = 198.023018414916 MB/s +*** Minimum energy = -107.328764764443 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328764527178 +Energy at sites (0, 1) is -107.328764764443 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328764527178 +Energy at sites (1, 2) is -107.328764764443 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328764527178 +Energy at sites (2, 3) is -107.328764764443 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.328764529166 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.328766830166 +Energy at sites (3, 4) is -107.328764766438 Stats: nIt(DAVIDSON) = 7 -Energy at sites (5, 6) is -107.32876889213 +Energy at sites (4, 5) is -107.32876692913 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (5, 6) is -107.328768891423 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.32876889213 +Energy at sites (6, 7) is -107.328768891423 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.32876889213 +Energy at sites (7, 8) is -107.328768891423 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.130749 seconds -*** |--> S.join = 0.01257 seconds -*** |--> S.solve = 0.039069 seconds -*** |--> S.split = 0.001553 seconds -*** |--> Tensor update = 0.077495 seconds -*** |--> create = 0.016892 seconds -*** |--> destroy = 0.001468 seconds -*** |--> disk write = 0.008112 seconds -*** |--> disk read = 0.005752 seconds -*** |--> calc = 0.04525 seconds -*** Disk write bandwidth = 103.698444554557 MB/s -*** Disk read bandwidth = 146.875129455651 MB/s -*** Minimum energy = -107.32876889213 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.32876889213 +*** Elapsed wall time = 4.212713 seconds +*** |--> S.join = 0.303022 seconds +*** |--> S.solve = 2.256959 seconds +*** |--> S.split = 0.515156 seconds +*** |--> Tensor update = 1.132596 seconds +*** |--> create = 0.012448 seconds +*** |--> destroy = 0.001 seconds +*** |--> disk write = 0.358128 seconds +*** |--> disk read = 0.012681 seconds +*** |--> calc = 0.748282 seconds +*** Disk write bandwidth = 2.34888582357862 MB/s +*** Disk read bandwidth = 66.6213819595384 MB/s +*** Minimum energy = -107.328768891423 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.328768891423 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.32876889213 +Energy at sites (8, 9) is -107.328768891423 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.32876889213 +Energy at sites (7, 8) is -107.328768891423 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768892131 +Energy at sites (6, 7) is -107.328768891423 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768892131 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.328768892513 +Energy at sites (5, 6) is -107.328768891423 Stats: nIt(DAVIDSON) = 3 -Energy at sites (3, 4) is -107.328768897983 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.328768897999 +Energy at sites (4, 5) is -107.328768891852 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -107.328768897995 + Stats: nIt(DAVIDSON) = 1 +Energy at sites (2, 3) is -107.328768897995 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897999 +Energy at sites (1, 2) is -107.328768897995 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 1.08365 seconds -*** |--> S.join = 0.053723 seconds -*** |--> S.solve = 0.532146 seconds -*** |--> S.split = 0.187969 seconds -*** |--> Tensor update = 0.309609 seconds -*** |--> create = 0.017721 seconds -*** |--> destroy = 0.001379 seconds -*** |--> disk write = 0.009766 seconds -*** |--> disk read = 0.005945 seconds -*** |--> calc = 0.27476 seconds -*** Disk write bandwidth = 86.5068343875595 MB/s -*** Disk read bandwidth = 141.497356135671 MB/s -*** Minimum energy = -107.328768897999 +*** Elapsed wall time = 2.435614 seconds +*** |--> S.join = 0.17152 seconds +*** |--> S.solve = 1.221003 seconds +*** |--> S.split = 0.395122 seconds +*** |--> Tensor update = 0.647006 seconds +*** |--> create = 0.012044 seconds +*** |--> destroy = 0.000978 seconds +*** |--> disk write = 0.007332 seconds +*** |--> disk read = 0.014296 seconds +*** |--> calc = 0.612315 seconds +*** Disk write bandwidth = 115.22446053313 MB/s +*** Disk read bandwidth = 58.8417586896029 MB/s +*** Minimum energy = -107.328768897995 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328768897999 +Energy at sites (0, 1) is -107.328768897995 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897999 +Energy at sites (1, 2) is -107.328768897995 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768897999 +Energy at sites (2, 3) is -107.328768897995 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.328768897999 +Energy at sites (3, 4) is -107.328768897995 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.328768898022 +Energy at sites (4, 5) is -107.328768898023 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768898022 +Energy at sites (5, 6) is -107.328768898023 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768898022 +Energy at sites (6, 7) is -107.328768898023 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768898022 +Energy at sites (7, 8) is -107.328768898023 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 1.049926 seconds -*** |--> S.join = 0.071991 seconds -*** |--> S.solve = 0.461677 seconds -*** |--> S.split = 0.193492 seconds -*** |--> Tensor update = 0.322456 seconds -*** |--> create = 0.020729 seconds -*** |--> destroy = 0.00154 seconds -*** |--> disk write = 0.013548 seconds -*** |--> disk read = 0.005766 seconds -*** |--> calc = 0.280836 seconds -*** Disk write bandwidth = 62.0904769874935 MB/s -*** Disk read bandwidth = 146.518512769495 MB/s -*** Minimum energy = -107.328768898022 +*** Elapsed wall time = 3.002431 seconds +*** |--> S.join = 0.217711 seconds +*** |--> S.solve = 1.292904 seconds +*** |--> S.split = 0.527254 seconds +*** |--> Tensor update = 0.963405 seconds +*** |--> create = 0.012385 seconds +*** |--> destroy = 0.000982 seconds +*** |--> disk write = 0.069644 seconds +*** |--> disk read = 0.004296 seconds +*** |--> calc = 0.876047 seconds +*** Disk write bandwidth = 12.0785966088473 MB/s +*** Disk read bandwidth = 196.654037390341 MB/s +*** Minimum energy = -107.328768898023 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.891308774153e-09 +*** Energy difference with respect to previous leftright sweep = 6.60065779811703e-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 = -107.328768898022 -*** Minimum energy encountered during the last sweep = -107.328768898022 +*** Minimum energy encountered during all instructions = -107.328768898023 +*** Minimum energy encountered during the last sweep = -107.328768898023 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.328768898023 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -107.328768898027 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (6, 7) is -107.328768898032 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -107.328768898032 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (8, 9) is -107.328768898024 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (7, 8) is -107.328768898028 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (6, 7) is -107.328768898031 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (5, 6) is -107.328768898031 Stats: nIt(DAVIDSON) = 11 -Energy at sites (4, 5) is -107.328768898032 +Energy at sites (4, 5) is -107.328768898031 Stats: nIt(DAVIDSON) = 14 -Energy at sites (3, 4) is -107.328768898032 - Stats: nIt(DAVIDSON) = 8 +Energy at sites (3, 4) is -107.328768898031 + Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 2.798146 seconds -*** |--> S.join = 0.092841 seconds -*** |--> S.solve = 2.093085 seconds -*** |--> S.split = 0.238592 seconds -*** |--> Tensor update = 0.373326 seconds -*** |--> create = 0.01679 seconds -*** |--> destroy = 0.001506 seconds -*** |--> disk write = 0.009926 seconds -*** |--> disk read = 0.005811 seconds -*** |--> calc = 0.339253 seconds -*** Disk write bandwidth = 85.1124062692833 MB/s -*** Disk read bandwidth = 144.7602447473 MB/s +*** Elapsed wall time = 6.497188 seconds +*** |--> S.join = 0.285553 seconds +*** |--> S.solve = 4.813137 seconds +*** |--> S.split = 0.550953 seconds +*** |--> Tensor update = 0.846119 seconds +*** |--> create = 0.012052 seconds +*** |--> destroy = 0.000977 seconds +*** |--> disk write = 0.00733 seconds +*** |--> disk read = 0.009833 seconds +*** |--> calc = 0.815879 seconds +*** Disk write bandwidth = 115.255899676522 MB/s +*** Disk read bandwidth = 85.5488439160544 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 ****************************************************************** @@ -2016,11 +2052,11 @@ Energy at sites (1, 2) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768898033 - Stats: nIt(DAVIDSON) = 8 + Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.328768898033 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.328768898033 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 7 Energy at sites (5, 6) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898033 @@ -2028,21 +2064,21 @@ Energy at sites (7, 8) is -107.328768898033 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 1.751453 seconds -*** |--> S.join = 0.097742 seconds -*** |--> S.solve = 1.011832 seconds -*** |--> S.split = 0.255225 seconds -*** |--> Tensor update = 0.386479 seconds -*** |--> create = 0.015154 seconds -*** |--> destroy = 0.001348 seconds -*** |--> disk write = 0.008954 seconds -*** |--> disk read = 0.005443 seconds -*** |--> calc = 0.355543 seconds -*** Disk write bandwidth = 93.9470384438868 MB/s -*** Disk read bandwidth = 155.213254570808 MB/s +*** Elapsed wall time = 3.823373 seconds +*** |--> S.join = 0.250586 seconds +*** |--> S.solve = 2.197159 seconds +*** |--> S.split = 0.526923 seconds +*** |--> Tensor update = 0.847506 seconds +*** |--> create = 0.012407 seconds +*** |--> destroy = 0.000972 seconds +*** |--> disk write = 0.025876 seconds +*** |--> disk read = 0.004107 seconds +*** |--> calc = 0.804102 seconds +*** Disk write bandwidth = 32.5089574210296 MB/s +*** Disk read bandwidth = 205.70385795688 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.08570930024143e-11 +*** Energy difference with respect to previous leftright sweep = 9.40758582146373e-12 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2056,53 +2092,53 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898032 - NOON of irrep Ag = [ 1.99999672241087 , 1.99571463015275 , 1.98497373603647 ]. - NOON of irrep B2g = [ 0.538989905098157 ]. - NOON of irrep B3g = [ 0.538989904979581 ]. - NOON of irrep B1u = [ 1.99999702947246 , 1.99149890562503 , 0.0194690668443239 ]. - NOON of irrep B2u = [ 1.46518504974989 ]. - NOON of irrep B3u = [ 1.46518504963047 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862739346568 , 0.0587089373886193 , 0.0554792810221799 , 1.11957630006572 , 1.11957630000267 , 8.52797482845377e-05 , 0.0421718621394995 , 0.105000352916664 , 1.11261995849453 , 1.11261995855873 ]. - Idistance(0) = 4.60188108192333 - Idistance(1) = 17.7825010798149 - Idistance(2) = 85.6947708219124 + Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898033 + NOON of irrep Ag = [ 1.9999967224105 , 1.99571463016828 , 1.98497373602029 ]. + NOON of irrep B2g = [ 0.538989905047056 ]. + NOON of irrep B3g = [ 0.5389899050293 ]. + NOON of irrep B1u = [ 1.99999702947248 , 1.99149890562332 , 0.0194690668472921 ]. + NOON of irrep B2u = [ 1.46518504969981 ]. + NOON of irrep B3u = [ 1.46518504968167 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862741209502 , 0.0587089373686118 , 0.0554792810864019 , 1.11957630004021 , 1.11957630002765 , 8.52797482112134e-05 , 0.0421718621510268 , 0.105000352924015 , 1.11261995851992 , 1.11261995853327 ]. + Idistance(0) = 4.60188108194854 + Idistance(1) = 17.7825010795509 + Idistance(2) = 85.6947708194732 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 1.537513 seconds -*** |--> MPS gauge change = 0.523434 seconds -*** |--> Diagram calc = 0.117144 seconds -*** |--> Tensor update = 0.896241 seconds -*** |--> create = 0.044333 seconds -*** |--> destroy = 0.004008 seconds -*** |--> disk write = 0.023138 seconds -*** |--> disk read = 0.019334 seconds -*** |--> calc = 0.805259 seconds -*** Disk write bandwidth = 74.0316375988296 MB/s -*** Disk read bandwidth = 88.5974982291155 MB/s +*** Elapsed wall time = 3.633757 seconds +*** |--> MPS gauge change = 1.279698 seconds +*** |--> Diagram calc = 0.36254 seconds +*** |--> Tensor update = 1.990633 seconds +*** |--> create = 0.052586 seconds +*** |--> destroy = 0.003038 seconds +*** |--> disk write = 0.016941 seconds +*** |--> disk read = 0.019246 seconds +*** |--> calc = 1.898659 seconds +*** Disk write bandwidth = 101.112332847041 MB/s +*** Disk read bandwidth = 89.0025995407731 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 = 10.121064 seconds -FCI::matvec : Wall time = 1.740778 seconds -FCI::matvec : Wall time = 0.88512 seconds -FCI::matvec : Wall time = 0.018731 seconds -FCI::matvec : Wall time = 0.018346 seconds -FCI::matvec : Wall time = 0.017553 seconds -FCI::matvec : Wall time = 0.017379 seconds -FCI::matvec : Wall time = 0.01803 seconds -FCI::matvec : Wall time = 0.021214 seconds -FCI::matvec : Wall time = 0.25732 seconds -FCI::matvec : Wall time = 0.013853 seconds -FCI::matvec : Wall time = 1.319643 seconds -FCI::matvec : Wall time = 0.024519 seconds -FCI::matvec : Wall time = 0.031155 seconds -FCI::matvec : Wall time = 0.03016 seconds -FCI::matvec : Wall time = 0.020265 seconds -FCI::matvec : Wall time = 0.01954 seconds +FCI::matvec : Wall time = 61.111988 seconds +FCI::matvec : Wall time = 55.138578 seconds +FCI::matvec : Wall time = 45.60111 seconds +FCI::matvec : Wall time = 49.355743 seconds +FCI::matvec : Wall time = 47.343734 seconds +FCI::matvec : Wall time = 46.203809 seconds +FCI::matvec : Wall time = 46.363841 seconds +FCI::matvec : Wall time = 47.439771 seconds +FCI::matvec : Wall time = 56.091694 seconds +FCI::matvec : Wall time = 52.375667 seconds +FCI::matvec : Wall time = 46.983827 seconds +FCI::matvec : Wall time = 53.802674 seconds +FCI::matvec : Wall time = 62.012664 seconds +FCI::matvec : Wall time = 62.475759 seconds +FCI::matvec : Wall time = 64.055785 seconds +FCI::matvec : Wall time = 68.367689 seconds +FCI::matvec : Wall time = 66.175692 seconds FCI::GSDavidson : Converged ground state energy = -107.328768898032 -FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2.00000000000001 and intended S(S+1) = 2 +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 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry @@ -2122,177 +2158,177 @@ 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) = 12 -Energy at sites (8, 9) is -100.393927699022 - Stats: nIt(DAVIDSON) = 20 -Energy at sites (7, 8) is -105.669997171492 - Stats: nIt(DAVIDSON) = 36 -Energy at sites (6, 7) is -106.994520108464 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (5, 6) is -106.994716421215 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (8, 9) is -101.377962055219 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (7, 8) is -106.984440875755 Stats: nIt(DAVIDSON) = 22 -Energy at sites (4, 5) is -106.996806338163 - Stats: nIt(DAVIDSON) = 21 -Energy at sites (3, 4) is -106.999716296526 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (2, 3) is -107.007872060968 +Energy at sites (6, 7) is -106.994513798109 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (5, 6) is -106.995316698454 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (4, 5) is -106.996787093184 + Stats: nIt(DAVIDSON) = 23 +Energy at sites (3, 4) is -106.99908095087 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (2, 3) is -107.007872704815 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007872060968 +Energy at sites (1, 2) is -107.007872704815 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 3.97204 seconds -*** |--> S.join = 0.085707 seconds -*** |--> S.solve = 3.310353 seconds -*** |--> S.split = 0.222826 seconds -*** |--> Tensor update = 0.352864 seconds -*** |--> create = 0.011412 seconds -*** |--> destroy = 0.001674 seconds -*** |--> disk write = 0.015378 seconds -*** |--> disk read = 0.004658 seconds -*** |--> calc = 0.319692 seconds -*** Disk write bandwidth = 12.6992854608146 MB/s -*** Disk read bandwidth = 41.6930523385506 MB/s -*** Minimum energy = -107.007872060968 +*** Elapsed wall time = 8.832006 seconds +*** |--> S.join = 0.308529 seconds +*** |--> S.solve = 7.16889 seconds +*** |--> S.split = 0.571184 seconds +*** |--> Tensor update = 0.782267 seconds +*** |--> create = 0.009517 seconds +*** |--> destroy = 0.000964 seconds +*** |--> disk write = 0.00629 seconds +*** |--> disk read = 0.003956 seconds +*** |--> calc = 0.761498 seconds +*** Disk write bandwidth = 31.0476330391743 MB/s +*** Disk read bandwidth = 49.0915666817413 MB/s +*** Minimum energy = -107.007872704815 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007872060968 +Energy at sites (0, 1) is -107.007872704815 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007872060968 +Energy at sites (1, 2) is -107.007872704815 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007872060969 +Energy at sites (2, 3) is -107.007872704815 Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.007872603626 +Energy at sites (3, 4) is -107.00787315223 Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -107.007875286223 +Energy at sites (4, 5) is -107.007876783274 Stats: nIt(DAVIDSON) = 10 -Energy at sites (5, 6) is -107.007920341925 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (6, 7) is -107.007920345025 +Energy at sites (5, 6) is -107.007920326125 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (6, 7) is -107.007920327179 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920345025 +Energy at sites (7, 8) is -107.007920327179 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 1.728085 seconds -*** |--> S.join = 0.107259 seconds -*** |--> S.solve = 1.008941 seconds -*** |--> S.split = 0.232655 seconds -*** |--> Tensor update = 0.378994 seconds -*** |--> create = 0.011261 seconds -*** |--> destroy = 0.001493 seconds -*** |--> disk write = 0.008176 seconds -*** |--> disk read = 0.004665 seconds -*** |--> calc = 0.353359 seconds -*** Disk write bandwidth = 23.7532091234062 MB/s -*** Disk read bandwidth = 41.8627249338491 MB/s -*** Minimum energy = -107.007920345025 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.007920345025 +*** Elapsed wall time = 4.248075 seconds +*** |--> S.join = 0.280267 seconds +*** |--> S.solve = 2.520952 seconds +*** |--> S.split = 0.603051 seconds +*** |--> Tensor update = 0.842962 seconds +*** |--> create = 0.009643 seconds +*** |--> destroy = 0.000916 seconds +*** |--> disk write = 0.006488 seconds +*** |--> disk read = 0.004011 seconds +*** |--> calc = 0.821862 seconds +*** Disk write bandwidth = 29.9331439261666 MB/s +*** Disk read bandwidth = 48.6885095528313 MB/s +*** Minimum energy = -107.007920327179 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.007920327179 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.007920345025 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920345025 +Energy at sites (8, 9) is -107.007920327178 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920345025 +Energy at sites (7, 8) is -107.007920327179 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.007920345025 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.007920369955 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.00792041319 +Energy at sites (6, 7) is -107.007920327179 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (5, 6) is -107.007920327212 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (4, 5) is -107.007920363554 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (3, 4) is -107.007920410878 Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.007920596862 +Energy at sites (2, 3) is -107.007920596777 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596862 +Energy at sites (1, 2) is -107.007920596777 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 1.491691 seconds -*** |--> S.join = 0.095604 seconds -*** |--> S.solve = 0.742013 seconds -*** |--> S.split = 0.250964 seconds -*** |--> Tensor update = 0.398542 seconds -*** |--> create = 0.011219 seconds -*** |--> destroy = 0.001543 seconds -*** |--> disk write = 0.007919 seconds -*** |--> disk read = 0.004946 seconds -*** |--> calc = 0.372805 seconds -*** Disk write bandwidth = 24.6608930188668 MB/s -*** Disk read bandwidth = 39.2653129383277 MB/s -*** Minimum energy = -107.007920596862 +*** Elapsed wall time = 3.591261 seconds +*** |--> S.join = 0.307649 seconds +*** |--> S.solve = 1.820684 seconds +*** |--> S.split = 0.611388 seconds +*** |--> Tensor update = 0.850922 seconds +*** |--> create = 0.009503 seconds +*** |--> destroy = 0.000952 seconds +*** |--> disk write = 0.006394 seconds +*** |--> disk read = 0.003975 seconds +*** |--> calc = 0.830065 seconds +*** Disk write bandwidth = 30.5426355671577 MB/s +*** Disk read bandwidth = 48.8569151680425 MB/s +*** Minimum energy = -107.007920596777 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007920596862 +Energy at sites (0, 1) is -107.007920596777 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596862 +Energy at sites (1, 2) is -107.007920596777 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007920596862 +Energy at sites (2, 3) is -107.007920596777 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -107.00792059698 +Energy at sites (3, 4) is -107.007920596896 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.007920597003 +Energy at sites (4, 5) is -107.00792059692 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.0079205994 +Energy at sites (5, 6) is -107.007920599401 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.0079205994 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.0079205994 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.694379 seconds -*** |--> S.join = 0.054416 seconds -*** |--> S.solve = 0.302608 seconds -*** |--> S.split = 0.150129 seconds -*** |--> Tensor update = 0.186999 seconds -*** |--> create = 0.010813 seconds -*** |--> destroy = 0.001545 seconds -*** |--> disk write = 0.010741 seconds -*** |--> disk read = 0.004777 seconds -*** |--> calc = 0.159089 seconds -*** Disk write bandwidth = 18.0808339812838 MB/s -*** Disk read bandwidth = 40.881224998201 MB/s -*** Minimum energy = -107.0079205994 +*** Elapsed wall time = 3.076465 seconds +*** |--> S.join = 0.238888 seconds +*** |--> S.solve = 1.496669 seconds +*** |--> S.split = 0.486183 seconds +*** |--> Tensor update = 0.853463 seconds +*** |--> create = 0.009736 seconds +*** |--> destroy = 0.000902 seconds +*** |--> disk write = 0.00643 seconds +*** |--> disk read = 0.00401 seconds +*** |--> calc = 0.832346 seconds +*** Disk write bandwidth = 30.2031474017059 MB/s +*** Disk read bandwidth = 48.7006513257871 MB/s +*** Minimum energy = -107.007920599401 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.5437458361921e-07 +*** Energy difference with respect to previous leftright sweep = 2.72221853947485e-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 = -107.0079205994 -*** Minimum energy encountered during the last sweep = -107.0079205994 +*** Minimum energy encountered during all instructions = -107.007920599401 +*** Minimum energy encountered during the last sweep = -107.007920599401 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.0079205994 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (8, 9) is -107.007920599401 Stats: nIt(DAVIDSON) = 8 Energy at sites (7, 8) is -107.007920599402 Stats: nIt(DAVIDSON) = 14 Energy at sites (6, 7) is -107.007920599403 - Stats: nIt(DAVIDSON) = 11 + Stats: nIt(DAVIDSON) = 12 Energy at sites (5, 6) is -107.007920599403 Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -107.007920599403 +Energy at sites (4, 5) is -107.007920599404 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.007920599404 - Stats: nIt(DAVIDSON) = 10 + Stats: nIt(DAVIDSON) = 11 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 = 1.069625 seconds -*** |--> S.join = 0.035292 seconds -*** |--> S.solve = 0.687995 seconds -*** |--> S.split = 0.124356 seconds -*** |--> Tensor update = 0.221725 seconds -*** |--> create = 0.011364 seconds -*** |--> destroy = 0.001635 seconds -*** |--> disk write = 0.01116 seconds -*** |--> disk read = 0.005261 seconds -*** |--> calc = 0.192273 seconds -*** Disk write bandwidth = 17.4990691591762 MB/s -*** Disk read bandwidth = 36.9143200518853 MB/s +*** Elapsed wall time = 6.400264 seconds +*** |--> S.join = 0.216504 seconds +*** |--> S.solve = 4.793043 seconds +*** |--> S.split = 0.611507 seconds +*** |--> Tensor update = 0.77804 seconds +*** |--> create = 0.009596 seconds +*** |--> destroy = 0.000959 seconds +*** |--> disk write = 0.006407 seconds +*** |--> disk read = 0.004071 seconds +*** |--> calc = 0.756965 seconds +*** Disk write bandwidth = 30.4806636204786 MB/s +*** Disk read bandwidth = 47.7047992613532 MB/s *** Minimum energy = -107.007920599438 *** Maximum discarded weight = 0 ****************************************************************** @@ -2308,27 +2344,27 @@ Energy at sites (4, 5) is -107.007920599438 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.007920599439 - Stats: nIt(DAVIDSON) = 5 + Stats: nIt(DAVIDSON) = 7 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 = 1.808151 seconds -*** |--> S.join = 0.093466 seconds -*** |--> S.solve = 1.169504 seconds -*** |--> S.split = 0.212305 seconds -*** |--> Tensor update = 0.332623 seconds -*** |--> create = 0.013222 seconds -*** |--> destroy = 0.001505 seconds -*** |--> disk write = 0.009824 seconds -*** |--> disk read = 0.005783 seconds -*** |--> calc = 0.302242 seconds -*** Disk write bandwidth = 19.7685502639423 MB/s -*** Disk read bandwidth = 33.7696025966464 MB/s +*** Elapsed wall time = 4.815509 seconds +*** |--> S.join = 0.27578 seconds +*** |--> S.solve = 3.113357 seconds +*** |--> S.split = 0.566755 seconds +*** |--> Tensor update = 0.858254 seconds +*** |--> create = 0.009674 seconds +*** |--> destroy = 0.000911 seconds +*** |--> disk write = 0.006328 seconds +*** |--> disk read = 0.00401 seconds +*** |--> calc = 0.837296 seconds +*** Disk write bandwidth = 30.6899870090026 MB/s +*** Disk read bandwidth = 48.7006513257871 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 3.91082721762359e-11 +*** Energy difference with respect to previous leftright sweep = 3.82556208933238e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2343,45 +2379,45 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439 - NOON of irrep Ag = [ 1.999997617288 , 1.99817458675364 , 1.99099529644929 ]. - NOON of irrep B2g = [ 0.999157310978847 ]. - NOON of irrep B3g = [ 0.999157310986272 ]. - NOON of irrep B1u = [ 1.99999763398138 , 1.99356772578901 , 0.015184320541306 ]. - NOON of irrep B2u = [ 1.00188409861263 ]. - NOON of irrep B3u = [ 1.00188409861962 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624822109878e-05 , 0.0439795111843301 , 0.0191227062387708 , 0.710073263213695 , 0.710073263174764 , 0.000114194275713322 , 0.0501988280075692 , 0.0847680577332666 , 0.709393186358117 , 0.709393186395217 ]. - Idistance(0) = 1.96740724152505 - Idistance(1) = 7.24682977083706 - Idistance(2) = 34.6048709984572 + NOON of irrep Ag = [ 1.99999761728836 , 1.9981745867035 , 1.99099529645774 ]. + NOON of irrep B2g = [ 0.999157310998772 ]. + NOON of irrep B3g = [ 0.999157310973665 ]. + NOON of irrep B1u = [ 1.99999763398136 , 1.99356772577901 , 0.0151843205873354 ]. + NOON of irrep B2u = [ 1.0018840986324 ]. + NOON of irrep B3u = [ 1.00188409859787 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624802172498e-05 , 0.0439795109162314 , 0.0191227065739981 , 0.710073263075699 , 0.710073263309272 , 0.000114194275759254 , 0.0501988281205678 , 0.0847680579340338 , 0.709393186485804 , 0.709393186263046 ]. + Idistance(0) = 1.96740724187584 + Idistance(1) = 7.2468297713296 + Idistance(2) = 34.6048709969269 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 1.266333 seconds -*** |--> MPS gauge change = 0.44288 seconds -*** |--> Diagram calc = 0.112849 seconds -*** |--> Tensor update = 0.709924 seconds -*** |--> create = 0.035672 seconds -*** |--> destroy = 0.005407 seconds -*** |--> disk write = 0.023453 seconds -*** |--> disk read = 0.015379 seconds -*** |--> calc = 0.629878 seconds -*** Disk write bandwidth = 17.4477711032104 MB/s -*** Disk read bandwidth = 26.6078792953764 MB/s +*** Elapsed wall time = 3.798948 seconds +*** |--> MPS gauge change = 1.364043 seconds +*** |--> Diagram calc = 0.388042 seconds +*** |--> Tensor update = 2.045706 seconds +*** |--> create = 0.022183 seconds +*** |--> destroy = 0.002638 seconds +*** |--> disk write = 0.015193 seconds +*** |--> disk read = 0.009336 seconds +*** |--> calc = 1.996193 seconds +*** Disk write bandwidth = 26.9336257278743 MB/s +*** Disk read bandwidth = 43.8306100775058 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 = 5.090077 seconds -FCI::matvec : Wall time = 0.011091 seconds -FCI::matvec : Wall time = 0.01533 seconds -FCI::matvec : Wall time = 0.014852 seconds -FCI::matvec : Wall time = 0.246777 seconds -FCI::matvec : Wall time = 0.010875 seconds -FCI::matvec : Wall time = 0.015305 seconds -FCI::matvec : Wall time = 1.214002 seconds -FCI::matvec : Wall time = 3.657681 seconds -FCI::matvec : Wall time = 0.308479 seconds -FCI::matvec : Wall time = 0.022475 seconds -FCI::matvec : Wall time = 0.026537 seconds +FCI::matvec : Wall time = 45.640004 seconds +FCI::matvec : Wall time = 47.775717 seconds +FCI::matvec : Wall time = 43.451711 seconds +FCI::matvec : Wall time = 44.755854 seconds +FCI::matvec : Wall time = 47.019907 seconds +FCI::matvec : Wall time = 41.591883 seconds +FCI::matvec : Wall time = 40.743681 seconds +FCI::matvec : Wall time = 35.42392 seconds +FCI::matvec : Wall time = 30.243945 seconds +FCI::matvec : Wall time = 32.735661 seconds +FCI::matvec : Wall time = 41.263835 seconds +FCI::matvec : Wall time = 38.167729 seconds FCI::GSDavidson : Converged ground state energy = -107.007920599439 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6 and intended S(S+1) = 6 Info on DMRG::operators rm call to system: 0 @@ -2404,279 +2440,279 @@ 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 15 -Energy at sites (8, 9) is -104.862799392718 - Stats: nIt(DAVIDSON) = 25 -Energy at sites (7, 8) is -105.791952413691 - Stats: nIt(DAVIDSON) = 49 -Energy at sites (6, 7) is -105.903606602926 - Stats: nIt(DAVIDSON) = 50 -Energy at sites (5, 6) is -105.905180384098 - Stats: nIt(DAVIDSON) = 29 -Energy at sites (4, 5) is -106.135700450533 - Stats: nIt(DAVIDSON) = 44 -Energy at sites (3, 4) is -106.17952005323 +Energy at sites (8, 9) is -102.739132535753 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (7, 8) is -105.792156545374 + Stats: nIt(DAVIDSON) = 63 +Energy at sites (6, 7) is -105.904174784131 + Stats: nIt(DAVIDSON) = 62 +Energy at sites (5, 6) is -105.906737065395 + Stats: nIt(DAVIDSON) = 36 +Energy at sites (4, 5) is -106.131384410335 + Stats: nIt(DAVIDSON) = 26 +Energy at sites (3, 4) is -106.184703616457 Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.179520123914 +Energy at sites (2, 3) is -106.184703695882 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.179520123914 +Energy at sites (1, 2) is -106.184703695882 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 1.22742 seconds -*** |--> S.join = 0.011413 seconds -*** |--> S.solve = 1.15039 seconds -*** |--> S.split = 0.00955 seconds -*** |--> Tensor update = 0.055956 seconds -*** |--> create = 0.014196 seconds -*** |--> destroy = 0.001603 seconds -*** |--> disk write = 0.009074 seconds -*** |--> disk read = 0.00665 seconds -*** |--> calc = 0.024397 seconds -*** Disk write bandwidth = 22.245814470775 MB/s -*** Disk read bandwidth = 30.1917513510338 MB/s -*** Minimum energy = -106.179520123914 +*** Elapsed wall time = 13.336656 seconds +*** |--> S.join = 0.24934 seconds +*** |--> S.solve = 11.53681 seconds +*** |--> S.split = 0.518027 seconds +*** |--> Tensor update = 1.027474 seconds +*** |--> create = 0.009844 seconds +*** |--> destroy = 0.000945 seconds +*** |--> disk write = 0.178722 seconds +*** |--> disk read = 0.00413 seconds +*** |--> calc = 0.833779 seconds +*** Disk write bandwidth = 1.12945535808581 MB/s +*** Disk read bandwidth = 48.6138369211562 MB/s +*** Minimum energy = -106.184703695882 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.179520123914 +Energy at sites (0, 1) is -106.184703695882 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.179520123914 +Energy at sites (1, 2) is -106.184703695882 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.179520123914 +Energy at sites (2, 3) is -106.184703695882 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -106.179520123924 +Energy at sites (3, 4) is -106.184703695892 Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -106.179628724979 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (5, 6) is -106.191434821165 +Energy at sites (4, 5) is -106.184801206936 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (5, 6) is -106.191450095487 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.191434822626 +Energy at sites (6, 7) is -106.191450095663 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191434822626 +Energy at sites (7, 8) is -106.191450095663 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.083516 seconds -*** |--> S.join = 0.012873 seconds -*** |--> S.solve = 0.024472 seconds -*** |--> S.split = 0.001151 seconds -*** |--> Tensor update = 0.044952 seconds -*** |--> create = 0.015597 seconds -*** |--> destroy = 0.001593 seconds -*** |--> disk write = 0.008177 seconds -*** |--> disk read = 0.007171 seconds -*** |--> calc = 0.012388 seconds -*** Disk write bandwidth = 24.5536439384096 MB/s -*** Disk read bandwidth = 28.1492846894174 MB/s -*** Minimum energy = -106.191434822626 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 106.191434822626 +*** Elapsed wall time = 3.765821 seconds +*** |--> S.join = 0.215568 seconds +*** |--> S.solve = 2.186767 seconds +*** |--> S.split = 0.519563 seconds +*** |--> Tensor update = 0.843013 seconds +*** |--> create = 0.010064 seconds +*** |--> destroy = 0.000937 seconds +*** |--> disk write = 0.006368 seconds +*** |--> disk read = 0.004094 seconds +*** |--> calc = 0.821514 seconds +*** Disk write bandwidth = 31.5287604403855 MB/s +*** Disk read bandwidth = 49.3059405246245 MB/s +*** Minimum energy = -106.191450095663 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 106.191450095663 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191434822626 +Energy at sites (8, 9) is -106.191450095663 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191434822626 +Energy at sites (7, 8) is -106.191450095663 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191434822626 +Energy at sites (6, 7) is -106.191450095663 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -106.191434822626 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -106.191455856819 +Energy at sites (5, 6) is -106.191450095663 Stats: nIt(DAVIDSON) = 9 -Energy at sites (3, 4) is -106.191465781864 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -106.191465787997 +Energy at sites (4, 5) is -106.191459902699 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (3, 4) is -106.191466025077 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (2, 3) is -106.191466033321 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191465787997 +Energy at sites (1, 2) is -106.191466033321 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.08393 seconds -*** |--> S.join = 0.006173 seconds -*** |--> S.solve = 0.033066 seconds -*** |--> S.split = 0.00115 seconds -*** |--> Tensor update = 0.043473 seconds -*** |--> create = 0.014302 seconds -*** |--> destroy = 0.001621 seconds -*** |--> disk write = 0.008548 seconds -*** |--> disk read = 0.006207 seconds -*** |--> calc = 0.012771 seconds -*** Disk write bandwidth = 23.6147075933332 MB/s -*** Disk read bandwidth = 32.34656782413 MB/s -*** Minimum energy = -106.191465787997 +*** Elapsed wall time = 3.384264 seconds +*** |--> S.join = 0.176601 seconds +*** |--> S.solve = 1.972708 seconds +*** |--> S.split = 0.483418 seconds +*** |--> Tensor update = 0.750803 seconds +*** |--> create = 0.00955 seconds +*** |--> destroy = 0.000954 seconds +*** |--> disk write = 0.006387 seconds +*** |--> disk read = 0.004026 seconds +*** |--> calc = 0.729851 seconds +*** Disk write bandwidth = 31.6045906541119 MB/s +*** Disk read bandwidth = 49.8696340000932 MB/s +*** Minimum energy = -106.191466033321 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191465787997 +Energy at sites (0, 1) is -106.191466033321 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191465787997 +Energy at sites (1, 2) is -106.191466033321 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191465787997 +Energy at sites (2, 3) is -106.191466033321 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.191465787997 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (4, 5) is -106.191465795181 +Energy at sites (3, 4) is -106.191466033321 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (4, 5) is -106.191466034293 Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -106.191466522926 +Energy at sites (5, 6) is -106.191466541816 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466522926 +Energy at sites (6, 7) is -106.191466541816 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466522926 +Energy at sites (7, 8) is -106.191466541816 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.077708 seconds -*** |--> S.join = 0.025459 seconds -*** |--> S.solve = 0.018846 seconds -*** |--> S.split = 0.001131 seconds -*** |--> Tensor update = 0.032211 seconds -*** |--> create = 0.014817 seconds -*** |--> destroy = 0.001648 seconds -*** |--> disk write = 0.007452 seconds -*** |--> disk read = 0.006244 seconds -*** |--> calc = 0.00202 seconds -*** Disk write bandwidth = 26.9424512190519 MB/s -*** Disk read bandwidth = 32.3283985438521 MB/s -*** Minimum energy = -106.191466522926 +*** Elapsed wall time = 3.016493 seconds +*** |--> S.join = 0.220568 seconds +*** |--> S.solve = 1.54871 seconds +*** |--> S.split = 0.47135 seconds +*** |--> Tensor update = 0.774802 seconds +*** |--> create = 0.009797 seconds +*** |--> destroy = 0.000911 seconds +*** |--> disk write = 0.006383 seconds +*** |--> disk read = 0.004004 seconds +*** |--> calc = 0.753663 seconds +*** Disk write bandwidth = 31.4546681003251 MB/s +*** Disk read bandwidth = 50.4142159110421 MB/s +*** Minimum energy = -106.191466541816 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 3.17002997007876e-05 +*** Energy difference with respect to previous leftright sweep = 1.64461526708237e-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 = -106.191466522926 -*** Minimum energy encountered during the last sweep = -106.191466522926 +*** Minimum energy encountered during all instructions = -106.191466541816 +*** Minimum energy encountered during the last sweep = -106.191466541816 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 9 -Energy at sites (8, 9) is -106.191466522935 +Energy at sites (8, 9) is -106.191466541829 Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -106.191466522944 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (6, 7) is -106.191466522946 +Energy at sites (7, 8) is -106.191466541838 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (6, 7) is -106.191466541839 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -106.19146652295 +Energy at sites (5, 6) is -106.191466541844 Stats: nIt(DAVIDSON) = 17 -Energy at sites (4, 5) is -106.191466569749 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (3, 4) is -106.191466572139 +Energy at sites (4, 5) is -106.191466566774 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (3, 4) is -106.191466573691 Stats: nIt(DAVIDSON) = 8 -Energy at sites (2, 3) is -106.19146657214 +Energy at sites (2, 3) is -106.191466573691 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.19146657214 +Energy at sites (1, 2) is -106.191466573691 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 1.234669 seconds -*** |--> S.join = 0.059896 seconds -*** |--> S.solve = 0.859378 seconds -*** |--> S.split = 0.124378 seconds -*** |--> Tensor update = 0.190738 seconds -*** |--> create = 0.011971 seconds -*** |--> destroy = 0.001655 seconds -*** |--> disk write = 0.007611 seconds -*** |--> disk read = 0.005133 seconds -*** |--> calc = 0.164345 seconds -*** Disk write bandwidth = 26.521944620656 MB/s -*** Disk read bandwidth = 39.1145814308153 MB/s -*** Minimum energy = -106.19146657214 +*** Elapsed wall time = 6.495102 seconds +*** |--> S.join = 0.215583 seconds +*** |--> S.solve = 5.036726 seconds +*** |--> S.split = 0.499246 seconds +*** |--> Tensor update = 0.734707 seconds +*** |--> create = 0.009561 seconds +*** |--> destroy = 0.000953 seconds +*** |--> disk write = 0.01045 seconds +*** |--> disk read = 0.004102 seconds +*** |--> calc = 0.7096 seconds +*** Disk write bandwidth = 19.3166048332835 MB/s +*** Disk read bandwidth = 48.9456719854644 MB/s +*** Minimum energy = -106.191466573691 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.19146657214 +Energy at sites (0, 1) is -106.191466573691 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.19146657214 +Energy at sites (1, 2) is -106.191466573691 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.19146657214 +Energy at sites (2, 3) is -106.191466573691 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -106.19146657214 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (4, 5) is -106.191466572141 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (5, 6) is -106.191466575672 +Energy at sites (3, 4) is -106.191466573691 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -106.191466573695 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (5, 6) is -106.191466575797 Stats: nIt(DAVIDSON) = 3 -Energy at sites (6, 7) is -106.191466575672 +Energy at sites (6, 7) is -106.191466575797 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575672 +Energy at sites (7, 8) is -106.191466575797 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.522389 seconds -*** |--> S.join = 0.042034 seconds -*** |--> S.solve = 0.294768 seconds -*** |--> S.split = 0.064884 seconds -*** |--> Tensor update = 0.120607 seconds -*** |--> create = 0.011304 seconds -*** |--> destroy = 0.001497 seconds -*** |--> disk write = 0.007683 seconds -*** |--> disk read = 0.005356 seconds -*** |--> calc = 0.09474 seconds -*** Disk write bandwidth = 26.1323892339418 MB/s -*** Disk read bandwidth = 37.6882973315557 MB/s -*** Minimum energy = -106.191466575672 +*** Elapsed wall time = 4.471488 seconds +*** |--> S.join = 0.245886 seconds +*** |--> S.solve = 2.946237 seconds +*** |--> S.split = 0.497474 seconds +*** |--> Tensor update = 0.78111 seconds +*** |--> create = 0.009828 seconds +*** |--> destroy = 0.000928 seconds +*** |--> disk write = 0.006544 seconds +*** |--> disk read = 0.009798 seconds +*** |--> calc = 0.753971 seconds +*** Disk write bandwidth = 30.6807986681502 MB/s +*** Disk read bandwidth = 20.6020127074722 MB/s +*** Minimum energy = -106.191466575797 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.2745946277355e-08 +*** Energy difference with respect to previous leftright sweep = 3.39813936989231e-08 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191466575672 +Energy at sites (8, 9) is -106.191466575797 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575672 +Energy at sites (7, 8) is -106.191466575797 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466575672 +Energy at sites (6, 7) is -106.191466575797 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -106.191466575672 +Energy at sites (5, 6) is -106.191466575797 Stats: nIt(DAVIDSON) = 15 -Energy at sites (4, 5) is -106.191466575922 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (3, 4) is -106.19146657593 +Energy at sites (4, 5) is -106.191466575917 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (3, 4) is -106.19146657594 Stats: nIt(DAVIDSON) = 5 -Energy at sites (2, 3) is -106.19146657593 +Energy at sites (2, 3) is -106.19146657594 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.19146657593 +Energy at sites (1, 2) is -106.19146657594 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 0.105631 seconds -*** |--> S.join = 0.015687 seconds -*** |--> S.solve = 0.05553 seconds -*** |--> S.split = 0.001051 seconds -*** |--> Tensor update = 0.03331 seconds -*** |--> create = 0.011002 seconds -*** |--> destroy = 0.001534 seconds -*** |--> disk write = 0.006448 seconds -*** |--> disk read = 0.004836 seconds -*** |--> calc = 0.00947 seconds -*** Disk write bandwidth = 31.3056018157278 MB/s -*** Disk read bandwidth = 41.5167796700527 MB/s -*** Minimum energy = -106.19146657593 +*** Elapsed wall time = 4.726051 seconds +*** |--> S.join = 0.241592 seconds +*** |--> S.solve = 3.129382 seconds +*** |--> S.split = 0.49983 seconds +*** |--> Tensor update = 0.853881 seconds +*** |--> create = 0.009907 seconds +*** |--> destroy = 0.00099 seconds +*** |--> disk write = 0.006705 seconds +*** |--> disk read = 0.004056 seconds +*** |--> calc = 0.832182 seconds +*** Disk write bandwidth = 30.1056704709638 MB/s +*** Disk read bandwidth = 49.5007757604475 MB/s +*** Minimum energy = -106.19146657594 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.19146657593 +Energy at sites (0, 1) is -106.19146657594 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.19146657593 +Energy at sites (1, 2) is -106.19146657594 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.19146657593 +Energy at sites (2, 3) is -106.19146657594 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -106.19146657593 +Energy at sites (3, 4) is -106.19146657594 Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -106.19146657593 - Stats: nIt(DAVIDSON) = 14 +Energy at sites (4, 5) is -106.19146657594 + Stats: nIt(DAVIDSON) = 15 Energy at sites (5, 6) is -106.191466575949 - Stats: nIt(DAVIDSON) = 3 + Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.191466575949 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575949 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 0.078262 seconds -*** |--> S.join = 0.00728800000000005 seconds -*** |--> S.solve = 0.044329 seconds -*** |--> S.split = 0.000962 seconds -*** |--> Tensor update = 0.025636 seconds -*** |--> create = 0.011157 seconds -*** |--> destroy = 0.001449 seconds -*** |--> disk write = 0.006333 seconds -*** |--> disk read = 0.00493 seconds -*** |--> calc = 0.001745 seconds -*** Disk write bandwidth = 31.7030074979275 MB/s -*** Disk read bandwidth = 40.9449331658849 MB/s +*** Elapsed wall time = 4.607368 seconds +*** |--> S.join = 0.382509 seconds +*** |--> S.solve = 2.777371 seconds +*** |--> S.split = 0.582797 seconds +*** |--> Tensor update = 0.863478 seconds +*** |--> create = 0.009783 seconds +*** |--> destroy = 0.000901 seconds +*** |--> disk write = 0.006356 seconds +*** |--> disk read = 0.003966 seconds +*** |--> calc = 0.842432 seconds +*** Disk write bandwidth = 31.5882861051565 MB/s +*** Disk read bandwidth = 50.8972568098367 MB/s *** Minimum energy = -106.191466575949 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.76997980108717e-10 +*** Energy difference with respect to previous leftright sweep = 1.52425627675257e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575949 @@ -2684,11 +2720,11 @@ Energy at sites (7, 8) is -106.191466575949 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575949 - Stats: nIt(DAVIDSON) = 1 + Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -106.191466575949 - Stats: nIt(DAVIDSON) = 13 + Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -106.19146657595 - Stats: nIt(DAVIDSON) = 11 + Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -106.19146657595 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -106.19146657595 @@ -2696,18 +2732,18 @@ Energy at sites (1, 2) is -106.19146657595 ****************************************************************** *** Information on left sweep 2 of instruction 1: -*** Elapsed wall time = 0.352666 seconds -*** |--> S.join = 0.029109 seconds -*** |--> S.solve = 0.139685 seconds -*** |--> S.split = 0.060019 seconds -*** |--> Tensor update = 0.12375 seconds -*** |--> create = 0.0107 seconds -*** |--> destroy = 0.001377 seconds -*** |--> disk write = 0.0072 seconds -*** |--> disk read = 0.004696 seconds -*** |--> calc = 0.099751 seconds -*** Disk write bandwidth = 28.0359056260851 MB/s -*** Disk read bandwidth = 42.7545030844069 MB/s +*** Elapsed wall time = 4.740712 seconds +*** |--> S.join = 0.360114 seconds +*** |--> S.solve = 2.828954 seconds +*** |--> S.split = 0.614034 seconds +*** |--> Tensor update = 0.936636 seconds +*** |--> create = 0.009737 seconds +*** |--> destroy = 0.000872 seconds +*** |--> disk write = 0.00634 seconds +*** |--> disk read = 0.004036 seconds +*** |--> calc = 0.915609 seconds +*** Disk write bandwidth = 31.8388833608537 MB/s +*** Disk read bandwidth = 49.7460719733337 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 ****************************************************************** @@ -2719,7 +2755,7 @@ Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.19146657595 - Stats: nIt(DAVIDSON) = 5 + Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -106.19146657595 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.19146657595 @@ -2729,21 +2765,21 @@ Energy at sites (7, 8) is -106.19146657595 ****************************************************************** *** Information on right sweep 2 of instruction 1: -*** Elapsed wall time = 0.820341 seconds -*** |--> S.join = 0.078404 seconds -*** |--> S.solve = 0.368707 seconds -*** |--> S.split = 0.128667 seconds -*** |--> Tensor update = 0.244352 seconds -*** |--> create = 0.023513 seconds -*** |--> destroy = 0.001385 seconds -*** |--> disk write = 0.012334 seconds -*** |--> disk read = 0.00547 seconds -*** |--> calc = 0.20161 seconds -*** Disk write bandwidth = 16.278186029218 MB/s -*** Disk read bandwidth = 36.9028373871687 MB/s +*** Elapsed wall time = 4.502854 seconds +*** |--> S.join = 0.316051 seconds +*** |--> S.solve = 2.53748 seconds +*** |--> S.split = 0.613005 seconds +*** |--> Tensor update = 1.031265 seconds +*** |--> create = 0.010137 seconds +*** |--> destroy = 0.000967 seconds +*** |--> disk write = 0.07279 seconds +*** |--> disk read = 0.004099 seconds +*** |--> calc = 0.943221 seconds +*** Disk write bandwidth = 2.75827924830849 MB/s +*** Disk read bandwidth = 49.2457966596273 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.4210854715202e-12 +*** Energy difference with respect to previous leftright sweep = 6.53699316899292e-13 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2758,53 +2794,53 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595 - NOON of irrep Ag = [ 1.99999399659725 , 1.99366325674968 , 1.87190049265344 ]. - NOON of irrep B2g = [ 0.584814261470474 ]. - NOON of irrep B3g = [ 0.58481430225336 ]. - NOON of irrep B1u = [ 1.99999783389176 , 1.12096429128765 , 1.00219410772045 ]. - NOON of irrep B2u = [ 1.4208287061124 ]. - NOON of irrep B3u = [ 1.42082875126353 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 8.1712817352848e-05 , 0.072210952585949 , 0.460791905985049 , 1.13075778672719 , 1.13075780099974 , 6.17502957066307e-05 , 0.977139014165082 , 0.735936480093834 , 1.12042724425639 , 1.12042722169929 ]. - Idistance(0) = 5.65234392048879 - Idistance(1) = 19.8382955497936 - Idistance(2) = 88.8195397357037 + NOON of irrep Ag = [ 1.99999399659695 , 1.99366325636165 , 1.87190049105296 ]. + NOON of irrep B2g = [ 0.584814294112943 ]. + NOON of irrep B3g = [ 0.584814271320532 ]. + NOON of irrep B1u = [ 1.99999783389179 , 1.1209642918028 , 1.00219410726003 ]. + NOON of irrep B2u = [ 1.42082874064063 ]. + NOON of irrep B3u = [ 1.42082871695971 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128211050735e-05 , 0.072210953896705 , 0.460791910991506 , 1.13075780033391 , 1.13075779032913 , 6.17502953971246e-05 , 0.977139014817517 , 0.735936482478117 , 1.12042722678059 , 1.12042723865499 ]. + Idistance(0) = 5.65234393380555 + Idistance(1) = 19.8382957482341 + Idistance(2) = 88.8195412825872 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 1.28566 seconds -*** |--> MPS gauge change = 0.462769 seconds -*** |--> Diagram calc = 0.113118 seconds -*** |--> Tensor update = 0.7092 seconds -*** |--> create = 0.025669 seconds -*** |--> destroy = 0.003433 seconds -*** |--> disk write = 0.019044 seconds -*** |--> disk read = 0.017113 seconds -*** |--> calc = 0.643818 seconds -*** Disk write bandwidth = 22.1770842819999 MB/s -*** Disk read bandwidth = 24.6795064025248 MB/s +*** Elapsed wall time = 4.036994 seconds +*** |--> MPS gauge change = 1.461961 seconds +*** |--> Diagram calc = 0.354866 seconds +*** |--> Tensor update = 2.219584 seconds +*** |--> create = 0.023047 seconds +*** |--> destroy = 0.002821 seconds +*** |--> disk write = 0.015378 seconds +*** |--> disk read = 0.027531 seconds +*** |--> calc = 2.150624 seconds +*** Disk write bandwidth = 27.4639350413842 MB/s +*** Disk read bandwidth = 15.3405395033383 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 = 0.054817 seconds -FCI::matvec : Wall time = 0.012776 seconds -FCI::matvec : Wall time = 1.29507 seconds -FCI::matvec : Wall time = 0.015586 seconds -FCI::matvec : Wall time = 4.090444 seconds -FCI::matvec : Wall time = 0.375663 seconds -FCI::matvec : Wall time = 0.522692 seconds -FCI::matvec : Wall time = 0.014473 seconds -FCI::matvec : Wall time = 0.011117 seconds -FCI::matvec : Wall time = 0.011188 seconds -FCI::matvec : Wall time = 0.394829 seconds -FCI::matvec : Wall time = 0.015223 seconds -FCI::matvec : Wall time = 2.082828 seconds -FCI::matvec : Wall time = 1.714003 seconds -FCI::matvec : Wall time = 0.423043 seconds -FCI::matvec : Wall time = 0.010781 seconds -FCI::matvec : Wall time = 0.011088 seconds -FCI::matvec : Wall time = 0.014307 seconds +FCI::matvec : Wall time = 47.30799 seconds +FCI::matvec : Wall time = 48.507934 seconds +FCI::matvec : Wall time = 47.247935 seconds +FCI::matvec : Wall time = 49.095905 seconds +FCI::matvec : Wall time = 48.919922 seconds +FCI::matvec : Wall time = 48.37585 seconds +FCI::matvec : Wall time = 48.279871 seconds +FCI::matvec : Wall time = 43.649118 seconds +FCI::matvec : Wall time = 53.858452 seconds +FCI::matvec : Wall time = 42.319782 seconds +FCI::matvec : Wall time = 39.4279 seconds +FCI::matvec : Wall time = 42.783825 seconds +FCI::matvec : Wall time = 53.699815 seconds +FCI::matvec : Wall time = 42.439704 seconds +FCI::matvec : Wall time = 31.763681 seconds +FCI::matvec : Wall time = 32.839824 seconds +FCI::matvec : Wall time = 31.815837 seconds +FCI::matvec : Wall time = 34.603693 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 +FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6 and intended S(S+1) = 6 Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry @@ -2824,280 +2860,280 @@ 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 -104.159508873993 - Stats: nIt(DAVIDSON) = 28 -Energy at sites (7, 8) is -106.593042514201 - Stats: nIt(DAVIDSON) = 46 -Energy at sites (6, 7) is -106.778662318055 - Stats: nIt(DAVIDSON) = 57 -Energy at sites (5, 6) is -107.235332332373 - Stats: nIt(DAVIDSON) = 27 -Energy at sites (4, 5) is -107.345662107692 Stats: nIt(DAVIDSON) = 18 -Energy at sites (3, 4) is -107.345770055196 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (2, 3) is -107.345771605426 +Energy at sites (8, 9) is -104.297408041967 + Stats: nIt(DAVIDSON) = 25 +Energy at sites (7, 8) is -106.571029635375 + Stats: nIt(DAVIDSON) = 37 +Energy at sites (6, 7) is -106.778164755166 + Stats: nIt(DAVIDSON) = 61 +Energy at sites (5, 6) is -106.807445259799 + Stats: nIt(DAVIDSON) = 46 +Energy at sites (4, 5) is -107.329261036626 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (3, 4) is -107.329325934 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (2, 3) is -107.32932738907 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.345771605426 +Energy at sites (1, 2) is -107.32932738907 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 4.672868 seconds -*** |--> S.join = 0.103182 seconds -*** |--> S.solve = 4.070325 seconds -*** |--> S.split = 0.196668 seconds -*** |--> Tensor update = 0.302494 seconds -*** |--> create = 0.015496 seconds -*** |--> destroy = 0.001628 seconds -*** |--> disk write = 0.008828 seconds -*** |--> disk read = 0.012496 seconds -*** |--> calc = 0.264008 seconds -*** Disk write bandwidth = 92.7488243196364 MB/s -*** Disk read bandwidth = 65.2338875393251 MB/s -*** Minimum energy = -107.345771605426 +*** Elapsed wall time = 12.588065 seconds +*** |--> S.join = 0.298531 seconds +*** |--> S.solve = 11.078356 seconds +*** |--> S.split = 0.474215 seconds +*** |--> Tensor update = 0.735708 seconds +*** |--> create = 0.021338 seconds +*** |--> destroy = 0.006391 seconds +*** |--> disk write = 0.068898 seconds +*** |--> disk read = 0.004343 seconds +*** |--> calc = 0.634689 seconds +*** Disk write bandwidth = 11.8840404814907 MB/s +*** Disk read bandwidth = 187.695753785726 MB/s +*** Minimum energy = -107.32932738907 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.345771605426 +Energy at sites (0, 1) is -107.32932738907 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.345771605426 +Energy at sites (1, 2) is -107.32932738907 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.345771605426 +Energy at sites (2, 3) is -107.32932738907 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (3, 4) is -107.329327389737 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.34577160736 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (4, 5) is -107.345771642761 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (5, 6) is -107.34631978025 +Energy at sites (4, 5) is -107.329327402779 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (5, 6) is -107.346281815297 Stats: nIt(DAVIDSON) = 5 -Energy at sites (6, 7) is -107.346324602552 +Energy at sites (6, 7) is -107.346287281471 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346324602552 +Energy at sites (7, 8) is -107.346287281471 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.856643 seconds -*** |--> S.join = 0.040908 seconds -*** |--> S.solve = 0.550444 seconds -*** |--> S.split = 0.09693 seconds -*** |--> Tensor update = 0.16823 seconds -*** |--> create = 0.016221 seconds -*** |--> destroy = 0.001646 seconds -*** |--> disk write = 0.009181 seconds -*** |--> disk read = 0.006597 seconds -*** |--> calc = 0.13456 seconds -*** Disk write bandwidth = 88.7880033429263 MB/s -*** Disk read bandwidth = 124.114994860353 MB/s -*** Minimum energy = -107.346324602552 +*** Elapsed wall time = 3.413465 seconds +*** |--> S.join = 0.15919 seconds +*** |--> S.solve = 2.110725 seconds +*** |--> S.split = 0.433382 seconds +*** |--> Tensor update = 0.701187 seconds +*** |--> create = 0.012444 seconds +*** |--> destroy = 0.001047 seconds +*** |--> disk write = 0.007211 seconds +*** |--> disk read = 0.004127 seconds +*** |--> calc = 0.676309 seconds +*** Disk write bandwidth = 113.044329315131 MB/s +*** Disk read bandwidth = 198.397533582203 MB/s +*** Minimum energy = -107.346287281471 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.346324602552 +*** Energy difference with respect to previous leftright sweep = 107.346287281471 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.346324602552 +Energy at sites (8, 9) is -107.346287281471 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346324602552 +Energy at sites (7, 8) is -107.346287281471 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346324602552 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (5, 6) is -107.346324606811 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.346326073992 +Energy at sites (6, 7) is -107.346287281471 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.346326102839 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326102839 +Energy at sites (5, 6) is -107.346287286842 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (4, 5) is -107.346323835129 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (3, 4) is -107.346325842712 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (2, 3) is -107.346325843504 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326102839 +Energy at sites (1, 2) is -107.346325843504 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.42929 seconds -*** |--> S.join = 0.021692 seconds -*** |--> S.solve = 0.248797 seconds -*** |--> S.split = 0.0427 seconds -*** |--> Tensor update = 0.116022 seconds -*** |--> create = 0.01555 seconds -*** |--> destroy = 0.001555 seconds -*** |--> disk write = 0.009121 seconds -*** |--> disk read = 0.005455 seconds -*** |--> calc = 0.084309 seconds -*** Disk write bandwidth = 89.769391634004 MB/s -*** Disk read bandwidth = 149.434034590542 MB/s -*** Minimum energy = -107.346326102839 +*** Elapsed wall time = 3.660352 seconds +*** |--> S.join = 0.249838 seconds +*** |--> S.solve = 2.125608 seconds +*** |--> S.split = 0.471122 seconds +*** |--> Tensor update = 0.804735 seconds +*** |--> create = 0.012128 seconds +*** |--> destroy = 0.001033 seconds +*** |--> disk write = 0.007298 seconds +*** |--> disk read = 0.004088 seconds +*** |--> calc = 0.78014 seconds +*** Disk write bandwidth = 112.193288722081 MB/s +*** Disk read bandwidth = 199.403781480285 MB/s +*** Minimum energy = -107.346325843504 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326102839 +Energy at sites (0, 1) is -107.346325843505 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326102839 +Energy at sites (1, 2) is -107.346325843504 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326102839 +Energy at sites (2, 3) is -107.346325843505 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.346326102839 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.346326102854 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (5, 6) is -107.34632611423 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.346326114885 +Energy at sites (3, 4) is -107.346325843505 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (4, 5) is -107.346325845224 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (5, 6) is -107.346326101971 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (6, 7) is -107.346326111421 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326114885 +Energy at sites (7, 8) is -107.346326111421 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 1.004283 seconds -*** |--> S.join = 0.070149 seconds -*** |--> S.solve = 0.479297 seconds -*** |--> S.split = 0.157805 seconds -*** |--> Tensor update = 0.296855 seconds -*** |--> create = 0.013583 seconds -*** |--> destroy = 0.001439 seconds -*** |--> disk write = 0.008081 seconds -*** |--> disk read = 0.005049 seconds -*** |--> calc = 0.268666 seconds -*** Disk write bandwidth = 100.873983255959 MB/s -*** Disk read bandwidth = 162.168077063527 MB/s -*** Minimum energy = -107.346326114885 +*** Elapsed wall time = 2.972582 seconds +*** |--> S.join = 0.234389 seconds +*** |--> S.solve = 1.525208 seconds +*** |--> S.split = 0.510922 seconds +*** |--> Tensor update = 0.700641 seconds +*** |--> create = 0.012405 seconds +*** |--> destroy = 0.001021 seconds +*** |--> disk write = 0.007241 seconds +*** |--> disk read = 0.004064 seconds +*** |--> calc = 0.675871 seconds +*** Disk write bandwidth = 112.575978275294 MB/s +*** Disk read bandwidth = 201.473085899053 MB/s +*** Minimum energy = -107.346326111421 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.51233285805574e-06 +*** Energy difference with respect to previous leftright sweep = 3.88299500002631e-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 = -107.346326114885 -*** Minimum energy encountered during the last sweep = -107.346326114885 +*** Minimum energy encountered during all instructions = -107.346326111421 +*** Minimum energy encountered during the last sweep = -107.346326111421 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.346326114889 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (8, 9) is -107.346326111423 Stats: nIt(DAVIDSON) = 9 -Energy at sites (7, 8) is -107.346326114895 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (6, 7) is -107.346326114898 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (5, 6) is -107.346326114901 +Energy at sites (7, 8) is -107.346326111425 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.346326115019 +Energy at sites (6, 7) is -107.346326111426 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (5, 6) is -107.346326111447 Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -107.346326115021 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (2, 3) is -107.346326115023 +Energy at sites (4, 5) is -107.346326114902 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (3, 4) is -107.346326114952 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (2, 3) is -107.346326114953 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115023 +Energy at sites (1, 2) is -107.346326114953 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 1.708633 seconds -*** |--> S.join = 0.055018 seconds -*** |--> S.solve = 1.240698 seconds -*** |--> S.split = 0.155978 seconds -*** |--> Tensor update = 0.256787 seconds -*** |--> create = 0.013895 seconds -*** |--> destroy = 0.00149 seconds -*** |--> disk write = 0.008016 seconds -*** |--> disk read = 0.005108 seconds -*** |--> calc = 0.228251 seconds -*** Disk write bandwidth = 102.144039557604 MB/s -*** Disk read bandwidth = 159.585485256736 MB/s -*** Minimum energy = -107.346326115023 +*** Elapsed wall time = 5.641294 seconds +*** |--> S.join = 0.237347 seconds +*** |--> S.solve = 4.244801 seconds +*** |--> S.split = 0.487267 seconds +*** |--> Tensor update = 0.671213 seconds +*** |--> create = 0.012125 seconds +*** |--> destroy = 0.001042 seconds +*** |--> disk write = 0.007345 seconds +*** |--> disk read = 0.014057 seconds +*** |--> calc = 0.636601 seconds +*** Disk write bandwidth = 111.475373872532 MB/s +*** Disk read bandwidth = 57.9898028520599 MB/s +*** Minimum energy = -107.346326114953 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326115023 +Energy at sites (0, 1) is -107.346326114953 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115023 +Energy at sites (1, 2) is -107.346326114953 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326115023 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (3, 4) is -107.346326115023 +Energy at sites (2, 3) is -107.346326114953 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.346326115023 - Stats: nIt(DAVIDSON) = 15 -Energy at sites (5, 6) is -107.346326115024 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (6, 7) is -107.346326115024 +Energy at sites (3, 4) is -107.346326114953 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (4, 5) is -107.346326114952 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (5, 6) is -107.346326115023 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (6, 7) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326115025 +Energy at sites (7, 8) is -107.346326115023 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.69486 seconds -*** |--> S.join = 0.057969 seconds -*** |--> S.solve = 0.386708 seconds -*** |--> S.split = 0.08949 seconds -*** |--> Tensor update = 0.160565 seconds -*** |--> create = 0.016572 seconds -*** |--> destroy = 0.001742 seconds -*** |--> disk write = 0.01115 seconds -*** |--> disk read = 0.005687 seconds -*** |--> calc = 0.125385 seconds -*** Disk write bandwidth = 73.1087586270319 MB/s -*** Disk read bandwidth = 143.975139984834 MB/s -*** Minimum energy = -107.346326115025 +*** Elapsed wall time = 4.807826 seconds +*** |--> S.join = 0.234643 seconds +*** |--> S.solve = 3.240461 seconds +*** |--> S.split = 0.503745 seconds +*** |--> Tensor update = 0.828305 seconds +*** |--> create = 0.013381 seconds +*** |--> destroy = 0.001088 seconds +*** |--> disk write = 0.008003 seconds +*** |--> disk read = 0.009494 seconds +*** |--> calc = 0.796295 seconds +*** Disk write bandwidth = 101.857135910459 MB/s +*** Disk read bandwidth = 86.242534347351 MB/s +*** Minimum energy = -107.346326115023 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.39493749884423e-10 +*** Energy difference with respect to previous leftright sweep = 3.60131480192649e-09 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.346326115024 +Energy at sites (8, 9) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326115025 +Energy at sites (7, 8) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346326115024 +Energy at sites (6, 7) is -107.346326115023 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (5, 6) is -107.346326115023 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (4, 5) is -107.346326115024 Stats: nIt(DAVIDSON) = 9 -Energy at sites (5, 6) is -107.346326115024 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.346326115025 - Stats: nIt(DAVIDSON) = 7 Energy at sites (3, 4) is -107.346326115024 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -107.346326115025 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (2, 3) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115025 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 1.520388 seconds -*** |--> S.join = 0.077275 seconds -*** |--> S.solve = 0.951584 seconds -*** |--> S.split = 0.177537 seconds -*** |--> Tensor update = 0.313861 seconds -*** |--> create = 0.015549 seconds -*** |--> destroy = 0.001422 seconds -*** |--> disk write = 0.008182 seconds -*** |--> disk read = 0.00516 seconds -*** |--> calc = 0.283515 seconds -*** Disk write bandwidth = 100.071696540424 MB/s -*** Disk read bandwidth = 157.977259436319 MB/s +*** Elapsed wall time = 4.759168 seconds +*** |--> S.join = 0.271972 seconds +*** |--> S.solve = 2.872834 seconds +*** |--> S.split = 0.583257 seconds +*** |--> Tensor update = 1.030281 seconds +*** |--> create = 0.012135 seconds +*** |--> destroy = 0.001028 seconds +*** |--> disk write = 0.156321 seconds +*** |--> disk read = 0.004319 seconds +*** |--> calc = 0.856426 seconds +*** Disk write bandwidth = 5.2378542940088 MB/s +*** Disk read bandwidth = 188.738749407596 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326115025 +Energy at sites (0, 1) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115025 +Energy at sites (1, 2) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115025 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -107.346326115024 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.346326115025 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.346326115025 +Energy at sites (3, 4) is -107.346326115025 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (4, 5) is -107.346326115024 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (5, 6) is -107.346326115024 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115025 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 0.727234 seconds -*** |--> S.join = 0.058271 seconds -*** |--> S.solve = 0.33403 seconds -*** |--> S.split = 0.121009 seconds -*** |--> Tensor update = 0.213795 seconds -*** |--> create = 0.014862 seconds -*** |--> destroy = 0.001431 seconds -*** |--> disk write = 0.007559 seconds -*** |--> disk read = 0.006575 seconds -*** |--> calc = 0.183339 seconds -*** Disk write bandwidth = 107.840013056146 MB/s -*** Disk read bandwidth = 124.530284576996 MB/s +*** Elapsed wall time = 4.017059 seconds +*** |--> S.join = 0.283386 seconds +*** |--> S.solve = 2.300859 seconds +*** |--> S.split = 0.524081 seconds +*** |--> Tensor update = 0.907562 seconds +*** |--> create = 0.012689 seconds +*** |--> destroy = 0.000961 seconds +*** |--> disk write = 0.007125 seconds +*** |--> disk read = 0.009275 seconds +*** |--> calc = 0.877473 seconds +*** Disk write bandwidth = 114.408794202303 MB/s +*** Disk read bandwidth = 88.2788809804582 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.8421709430404e-14 +*** Energy difference with respect to previous leftright sweep = 1.79056769411545e-12 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3111,52 +3147,52 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115025 - NOON of irrep Ag = [ 1.99999018535377 , 1.99292175280921 , 1.03221285672897 ]. - NOON of irrep B2g = [ 1.02415310259913 ]. - NOON of irrep B3g = [ 0.0896934287774745 ]. - NOON of irrep B1u = [ 1.99999295584655 , 1.95039154290428 , 0.0159495095279896 ]. - NOON of irrep B2u = [ 1.91962159296958 ]. - NOON of irrep B3u = [ 1.97507307248305 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322990903309 , 0.0447141464943269 , 0.838966994520598 , 0.790658960219325 , 0.317368561186914 , 9.24989500679031e-05 , 0.227634117090917 , 0.0907424584883367 , 0.299652804884294 , 0.13397929700198 ]. - Idistance(0) = 1.57215407912967 - Idistance(1) = 5.15805448325513 - Idistance(2) = 21.986640986604 + Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115024 + NOON of irrep Ag = [ 1.99999018535328 , 1.99292175238561 , 1.03221285757088 ]. + NOON of irrep B2g = [ 1.02415310248911 ]. + NOON of irrep B3g = [ 0.0896934286751946 ]. + NOON of irrep B1u = [ 1.99999295584651 , 1.95039154273558 , 0.0159495094231875 ]. + NOON of irrep B2u = [ 1.9196215930557 ]. + NOON of irrep B3u = [ 1.97507307246495 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322998903445 , 0.0447141490004578 , 0.838966991786879 , 0.790658960674967 , 0.317368560646744 , 9.24989501977519e-05 , 0.227634117676626 , 0.0907424578152867 , 0.299652804384143 , 0.133979297080128 ]. + Idistance(0) = 1.57215407746431 + Idistance(1) = 5.15805448125278 + Idistance(2) = 21.9866410044262 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.181267 seconds -*** |--> MPS gauge change = 0.02636 seconds -*** |--> Diagram calc = 0.017467 seconds -*** |--> Tensor update = 0.136918 seconds -*** |--> create = 0.036175 seconds -*** |--> destroy = 0.00302 seconds -*** |--> disk write = 0.016842 seconds -*** |--> disk read = 0.015369 seconds -*** |--> calc = 0.0654019999999999 seconds -*** Disk write bandwidth = 98.6145222474413 MB/s -*** Disk read bandwidth = 108.065962892277 MB/s +*** Elapsed wall time = 3.950046 seconds +*** |--> MPS gauge change = 1.390825 seconds +*** |--> Diagram calc = 0.335129 seconds +*** |--> Tensor update = 2.218803 seconds +*** |--> create = 0.029208 seconds +*** |--> destroy = 0.003084 seconds +*** |--> disk write = 0.201092 seconds +*** |--> disk read = 0.01715 seconds +*** |--> calc = 1.968077 seconds +*** Disk write bandwidth = 8.25923350352777 MB/s +*** Disk read bandwidth = 96.843485929528 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 = 0.013413 seconds -FCI::matvec : Wall time = 0.314682 seconds -FCI::matvec : Wall time = 0.013706 seconds -FCI::matvec : Wall time = 0.988449 seconds -FCI::matvec : Wall time = 3.027892 seconds -FCI::matvec : Wall time = 0.287582 seconds -FCI::matvec : Wall time = 0.018823 seconds -FCI::matvec : Wall time = 0.014034 seconds -FCI::matvec : Wall time = 0.018808 seconds -FCI::matvec : Wall time = 15.910795 seconds -FCI::matvec : Wall time = 1.900431 seconds -FCI::matvec : Wall time = 1.564646 seconds -FCI::matvec : Wall time = 1.532836 seconds -FCI::matvec : Wall time = 7.804797 seconds -FCI::matvec : Wall time = 0.021643 seconds -FCI::matvec : Wall time = 0.024898 seconds -FCI::matvec : Wall time = 0.05148 seconds -FCI::matvec : Wall time = 4.695549 seconds +FCI::matvec : Wall time = 54.959937 seconds +FCI::matvec : Wall time = 53.667926 seconds +FCI::matvec : Wall time = 59.671908 seconds +FCI::matvec : Wall time = 49.215878 seconds +FCI::matvec : Wall time = 51.175879 seconds +FCI::matvec : Wall time = 59.011733 seconds +FCI::matvec : Wall time = 68.279705 seconds +FCI::matvec : Wall time = 64.411435 seconds +FCI::matvec : Wall time = 58.235948 seconds +FCI::matvec : Wall time = 47.747671 seconds +FCI::matvec : Wall time = 47.579744 seconds +FCI::matvec : Wall time = 48.307672 seconds +FCI::matvec : Wall time = 59.427786 seconds +FCI::matvec : Wall time = 59.795766 seconds +FCI::matvec : Wall time = 53.079694 seconds +FCI::matvec : Wall time = 63.223741 seconds +FCI::matvec : Wall time = 57.199599 seconds +FCI::matvec : Wall time = 80.395713 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 @@ -3178,213 +3214,213 @@ 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) = 17 -Energy at sites (8, 9) is -103.844328764649 - Stats: nIt(DAVIDSON) = 30 -Energy at sites (7, 8) is -106.391017608843 - Stats: nIt(DAVIDSON) = 58 -Energy at sites (6, 7) is -106.951064818809 - Stats: nIt(DAVIDSON) = 62 -Energy at sites (5, 6) is -107.186315219857 - Stats: nIt(DAVIDSON) = 41 -Energy at sites (4, 5) is -107.188586061296 - Stats: nIt(DAVIDSON) = 41 -Energy at sites (3, 4) is -107.199542288717 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (8, 9) is -97.0854904368148 + Stats: nIt(DAVIDSON) = 26 +Energy at sites (7, 8) is -106.532325469073 + Stats: nIt(DAVIDSON) = 37 +Energy at sites (6, 7) is -106.951492262178 + Stats: nIt(DAVIDSON) = 59 +Energy at sites (5, 6) is -107.184434978843 + Stats: nIt(DAVIDSON) = 44 +Energy at sites (4, 5) is -107.188457535249 + Stats: nIt(DAVIDSON) = 42 +Energy at sites (3, 4) is -107.199468097051 Stats: nIt(DAVIDSON) = 12 -Energy at sites (2, 3) is -107.199565846104 +Energy at sites (2, 3) is -107.199475380263 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199565846104 +Energy at sites (1, 2) is -107.199475380262 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 6.920398 seconds -*** |--> S.join = 0.092614 seconds -*** |--> S.solve = 6.204546 seconds -*** |--> S.split = 0.235158 seconds -*** |--> Tensor update = 0.383853 seconds -*** |--> create = 0.015137 seconds -*** |--> destroy = 0.00146 seconds -*** |--> disk write = 0.008848 seconds -*** |--> disk read = 0.005332 seconds -*** |--> calc = 0.353032 seconds -*** Disk write bandwidth = 95.0699473375869 MB/s -*** Disk read bandwidth = 157.080819887589 MB/s -*** Minimum energy = -107.199565846104 +*** Elapsed wall time = 20.064105 seconds +*** |--> S.join = 0.34297 seconds +*** |--> S.solve = 17.976041 seconds +*** |--> S.split = 0.728063 seconds +*** |--> Tensor update = 1.016065 seconds +*** |--> create = 0.012007 seconds +*** |--> destroy = 0.001009 seconds +*** |--> disk write = 0.044536 seconds +*** |--> disk read = 0.004365 seconds +*** |--> calc = 0.954102 seconds +*** Disk write bandwidth = 18.8876166257178 MB/s +*** Disk read bandwidth = 191.879709425115 MB/s +*** Minimum energy = -107.199475380263 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199565846104 +Energy at sites (0, 1) is -107.199475380263 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199565846104 +Energy at sites (1, 2) is -107.199475380262 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199565846104 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.199565853753 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.199581763318 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (5, 6) is -107.199617201685 +Energy at sites (2, 3) is -107.199475380262 Stats: nIt(DAVIDSON) = 5 -Energy at sites (6, 7) is -107.199617332012 +Energy at sites (3, 4) is -107.199475384133 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (4, 5) is -107.199488542675 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (5, 6) is -107.199546946783 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (6, 7) is -107.199614659622 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617332012 +Energy at sites (7, 8) is -107.199614659622 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 1.877054 seconds -*** |--> S.join = 0.101711 seconds -*** |--> S.solve = 1.166553 seconds -*** |--> S.split = 0.236773 seconds -*** |--> Tensor update = 0.367801 seconds -*** |--> create = 0.015118 seconds -*** |--> destroy = 0.001522 seconds -*** |--> disk write = 0.009343 seconds -*** |--> disk read = 0.005362 seconds -*** |--> calc = 0.336416 seconds -*** Disk write bandwidth = 89.6451815948437 MB/s -*** Disk read bandwidth = 156.877824327297 MB/s -*** Minimum energy = -107.199617332012 +*** Elapsed wall time = 4.835562 seconds +*** |--> S.join = 0.233021 seconds +*** |--> S.solve = 3.126431 seconds +*** |--> S.split = 0.584304 seconds +*** |--> Tensor update = 0.890738 seconds +*** |--> create = 0.013871 seconds +*** |--> destroy = 0.001141 seconds +*** |--> disk write = 0.075356 seconds +*** |--> disk read = 0.006601 seconds +*** |--> calc = 0.793721 seconds +*** Disk write bandwidth = 11.1146415897954 MB/s +*** Disk read bandwidth = 127.432039697465 MB/s +*** Minimum energy = -107.199614659622 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.199617332012 +*** Energy difference with respect to previous leftright sweep = 107.199614659622 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.199617332012 +Energy at sites (8, 9) is -107.199614659622 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617332012 +Energy at sites (7, 8) is -107.199614659622 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617332012 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.199617332104 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (4, 5) is -107.199617357317 +Energy at sites (6, 7) is -107.199614659622 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (5, 6) is -107.199617263506 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (4, 5) is -107.199617370265 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.199617421181 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.199617421527 +Energy at sites (3, 4) is -107.199617417579 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (2, 3) is -107.199617419588 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421527 +Energy at sites (1, 2) is -107.199617419588 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 1.290768 seconds -*** |--> S.join = 0.067701 seconds -*** |--> S.solve = 0.624471 seconds -*** |--> S.split = 0.183708 seconds -*** |--> Tensor update = 0.414715 seconds -*** |--> create = 0.013659 seconds -*** |--> destroy = 0.001599 seconds -*** |--> disk write = 0.134058 seconds -*** |--> disk read = 0.004907 seconds -*** |--> calc = 0.260456 seconds -*** Disk write bandwidth = 6.27473850156625 MB/s -*** Disk read bandwidth = 170.685741112824 MB/s -*** Minimum energy = -107.199617421527 +*** Elapsed wall time = 4.507589 seconds +*** |--> S.join = 0.294114 seconds +*** |--> S.solve = 2.768658 seconds +*** |--> S.split = 0.575387 seconds +*** |--> Tensor update = 0.868856 seconds +*** |--> create = 0.011995 seconds +*** |--> destroy = 0.000988 seconds +*** |--> disk write = 0.007332 seconds +*** |--> disk read = 0.027704 seconds +*** |--> calc = 0.820793 seconds +*** Disk write bandwidth = 114.727072291731 MB/s +*** Disk read bandwidth = 30.2322744600283 MB/s +*** Minimum energy = -107.199617419588 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199617421527 +Energy at sites (0, 1) is -107.199617419588 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421527 +Energy at sites (1, 2) is -107.199617419588 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199617421527 +Energy at sites (2, 3) is -107.199617419588 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.199617421527 +Energy at sites (3, 4) is -107.199617419588 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.199617421611 +Energy at sites (4, 5) is -107.199617419645 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -107.199617421887 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617421886 +Energy at sites (5, 6) is -107.199617420075 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (6, 7) is -107.199617421895 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617421886 +Energy at sites (7, 8) is -107.199617421895 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.736086 seconds -*** |--> S.join = 0.05935 seconds -*** |--> S.solve = 0.328013 seconds -*** |--> S.split = 0.132032 seconds -*** |--> Tensor update = 0.216537 seconds -*** |--> create = 0.013175 seconds -*** |--> destroy = 0.001492 seconds -*** |--> disk write = 0.008152 seconds -*** |--> disk read = 0.004764 seconds -*** |--> calc = 0.188923 seconds -*** Disk write bandwidth = 102.742263449537 MB/s -*** Disk read bandwidth = 176.569877003142 MB/s -*** Minimum energy = -107.199617421887 +*** Elapsed wall time = 3.059927 seconds +*** |--> S.join = 0.239877 seconds +*** |--> S.solve = 1.445254 seconds +*** |--> S.split = 0.549947 seconds +*** |--> Tensor update = 0.823694 seconds +*** |--> create = 0.012357 seconds +*** |--> destroy = 0.000961 seconds +*** |--> disk write = 0.007303 seconds +*** |--> disk read = 0.017942 seconds +*** |--> calc = 0.785088 seconds +*** Disk write bandwidth = 114.686420873699 MB/s +*** Disk read bandwidth = 46.883228962377 MB/s +*** Minimum energy = -107.199617421895 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 8.98749306088575e-08 +*** Energy difference with respect to previous leftright sweep = 2.76227297035803e-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 = -107.199617421887 -*** Minimum energy encountered during the last sweep = -107.199617421887 +*** Minimum energy encountered during all instructions = -107.199617421895 +*** Minimum energy encountered during the last sweep = -107.199617421895 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 8 Energy at sites (8, 9) is -107.199617421897 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (7, 8) is -107.199617421906 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (6, 7) is -107.199617421914 - Stats: nIt(DAVIDSON) = 23 -Energy at sites (5, 6) is -107.199617421915 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.199617421916 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (3, 4) is -107.199617421918 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (7, 8) is -107.199617421899 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (6, 7) is -107.199617421903 + Stats: nIt(DAVIDSON) = 24 +Energy at sites (5, 6) is -107.199617421914 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (4, 5) is -107.199617421918 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (3, 4) is -107.199617421919 Stats: nIt(DAVIDSON) = 8 -Energy at sites (2, 3) is -107.199617421919 +Energy at sites (2, 3) is -107.199617421918 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421919 +Energy at sites (1, 2) is -107.199617421918 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 3.131836 seconds -*** |--> S.join = 0.098865 seconds -*** |--> S.solve = 2.43939 seconds -*** |--> S.split = 0.244731 seconds -*** |--> Tensor update = 0.348668 seconds -*** |--> create = 0.014525 seconds -*** |--> destroy = 0.001428 seconds -*** |--> disk write = 0.008543 seconds -*** |--> disk read = 0.004878 seconds -*** |--> calc = 0.31926 seconds -*** Disk write bandwidth = 98.4641102707443 MB/s -*** Disk read bandwidth = 171.700477991108 MB/s +*** Elapsed wall time = 7.514929 seconds +*** |--> S.join = 0.250958 seconds +*** |--> S.solve = 5.761481 seconds +*** |--> S.split = 0.59862 seconds +*** |--> Tensor update = 0.902464 seconds +*** |--> create = 0.012039 seconds +*** |--> destroy = 0.000939 seconds +*** |--> disk write = 0.007371 seconds +*** |--> disk read = 0.010194 seconds +*** |--> calc = 0.871876 seconds +*** Disk write bandwidth = 114.120050745214 MB/s +*** Disk read bandwidth = 82.1615589209952 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421919 +Energy at sites (1, 2) is -107.199617421918 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199617421919 +Energy at sites (2, 3) is -107.199617421918 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617421919 - Stats: nIt(DAVIDSON) = 8 + Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -107.199617421919 - Stats: nIt(DAVIDSON) = 17 + Stats: nIt(DAVIDSON) = 18 Energy at sites (5, 6) is -107.199617421919 - Stats: nIt(DAVIDSON) = 8 + Stats: nIt(DAVIDSON) = 11 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 = 1.659983 seconds -*** |--> S.join = 0.060263 seconds -*** |--> S.solve = 1.116936 seconds -*** |--> S.split = 0.184521 seconds -*** |--> Tensor update = 0.298109 seconds -*** |--> create = 0.015314 seconds -*** |--> destroy = 0.001459 seconds -*** |--> disk write = 0.012348 seconds -*** |--> disk read = 0.005586 seconds -*** |--> calc = 0.263368 seconds -*** Disk write bandwidth = 67.8291975737468 MB/s -*** Disk read bandwidth = 150.586984254022 MB/s +*** Elapsed wall time = 5.122689 seconds +*** |--> S.join = 0.286734 seconds +*** |--> S.solve = 3.380535 seconds +*** |--> S.split = 0.552962 seconds +*** |--> Tensor update = 0.901923 seconds +*** |--> create = 0.012464 seconds +*** |--> destroy = 0.000987 seconds +*** |--> disk write = 0.007281 seconds +*** |--> disk read = 0.023182 seconds +*** |--> calc = 0.857967 seconds +*** Disk write bandwidth = 115.032953116416 MB/s +*** Disk read bandwidth = 36.285863775471 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 3.2287061912939e-11 +*** Energy difference with respect to previous leftright sweep = 2.34763319895137e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3399,54 +3435,54 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919 - NOON of irrep Ag = [ 1.99998814651027 , 1.98924041563523 , 1.87687857981482 ]. - NOON of irrep B2g = [ 0.139387811453639 ]. - NOON of irrep B3g = [ 1.03112739712871 ]. - NOON of irrep B1u = [ 1.99999431244151 , 1.10839164078408 , 0.0211636956726996 ]. - NOON of irrep B2u = [ 1.96715797351841 ]. - NOON of irrep B3u = [ 1.86667002704064 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980012229319 , 0.0818410216361273 , 0.449623198522995 , 0.48664505601831 , 0.811029481989464 , 6.68868115644761e-05 , 0.962046613797353 , 0.112095070310002 , 0.167176150608227 , 0.475082461661161 ]. - Idistance(0) = 2.38445939309821 - Idistance(1) = 9.57998274513807 - Idistance(2) = 47.8783647155521 + NOON of irrep Ag = [ 1.99998814651027 , 1.98924041561117 , 1.87687858020377 ]. + NOON of irrep B2g = [ 0.13938781115284 ]. + NOON of irrep B3g = [ 1.03112739696344 ]. + NOON of irrep B1u = [ 1.99999431244148 , 1.10839164034957 , 0.0211636956738636 ]. + NOON of irrep B2u = [ 1.96715797381247 ]. + NOON of irrep B3u = [ 1.86667002728112 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980010608498 , 0.0818410217648545 , 0.449623197431305 , 0.48664505528579 , 0.811029480792151 , 6.68868117976814e-05 , 0.962046613207113 , 0.112095070346575 , 0.167176149395604 , 0.475082461034915 ]. + Idistance(0) = 2.38445938915991 + Idistance(1) = 9.57998272824361 + Idistance(2) = 47.8783646348938 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 1.541533 seconds -*** |--> MPS gauge change = 0.527301 seconds -*** |--> Diagram calc = 0.131795 seconds -*** |--> Tensor update = 0.88187 seconds -*** |--> create = 0.038598 seconds -*** |--> destroy = 0.002776 seconds -*** |--> disk write = 0.019353 seconds -*** |--> disk read = 0.012361 seconds -*** |--> calc = 0.808638 seconds -*** Disk write bandwidth = 88.1336397245824 MB/s -*** Disk read bandwidth = 137.986435530284 MB/s +*** Elapsed wall time = 3.999425 seconds +*** |--> MPS gauge change = 1.330531 seconds +*** |--> Diagram calc = 0.396455 seconds +*** |--> Tensor update = 2.267232 seconds +*** |--> create = 0.028857 seconds +*** |--> destroy = 0.002955 seconds +*** |--> disk write = 0.017561 seconds +*** |--> disk read = 0.021556 seconds +*** |--> calc = 2.196111 seconds +*** Disk write bandwidth = 97.1271755361223 MB/s +*** Disk read bandwidth = 79.1264766000113 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 = 10.890047 seconds -FCI::matvec : Wall time = 0.021139 seconds -FCI::matvec : Wall time = 0.019227 seconds -FCI::matvec : Wall time = 0.430935 seconds -FCI::matvec : Wall time = 0.032139 seconds -FCI::matvec : Wall time = 0.013503 seconds -FCI::matvec : Wall time = 0.02536 seconds -FCI::matvec : Wall time = 0.034665 seconds -FCI::matvec : Wall time = 0.018028 seconds -FCI::matvec : Wall time = 4.374055 seconds -FCI::matvec : Wall time = 0.025677 seconds -FCI::matvec : Wall time = 0.460805 seconds -FCI::matvec : Wall time = 0.017054 seconds -FCI::matvec : Wall time = 0.432993 seconds -FCI::matvec : Wall time = 0.017078 seconds -FCI::matvec : Wall time = 0.037464 seconds -FCI::matvec : Wall time = 5.41881 seconds -FCI::matvec : Wall time = 0.938899 seconds -FCI::matvec : Wall time = 1.777387 seconds -FCI::matvec : Wall time = 0.20585 seconds -FCI::matvec : Wall time = 0.025157 seconds +FCI::matvec : Wall time = 60.031975 seconds +FCI::matvec : Wall time = 66.971886 seconds +FCI::matvec : Wall time = 68.323908 seconds +FCI::matvec : Wall time = 52.303888 seconds +FCI::matvec : Wall time = 47.071831 seconds +FCI::matvec : Wall time = 58.723804 seconds +FCI::matvec : Wall time = 65.331816 seconds +FCI::matvec : Wall time = 71.924111 seconds +FCI::matvec : Wall time = 64.419569 seconds +FCI::matvec : Wall time = 62.887747 seconds +FCI::matvec : Wall time = 53.49568 seconds +FCI::matvec : Wall time = 53.955732 seconds +FCI::matvec : Wall time = 62.495877 seconds +FCI::matvec : Wall time = 43.171474 seconds +FCI::matvec : Wall time = 49.867618 seconds +FCI::matvec : Wall time = 54.971703 seconds +FCI::matvec : Wall time = 52.495751 seconds +FCI::matvec : Wall time = 46.219556 seconds +FCI::matvec : Wall time = 60.347505 seconds +FCI::matvec : Wall time = 66.30749 seconds +FCI::matvec : Wall time = 59.135508 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 @@ -3463,7 +3499,7 @@ debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/chemps2-1.8.12' dh_auto_install - cd obj-i686-linux-gnu && make -j6 install DESTDIR=/build/reproducible-path/chemps2-1.8.12/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" + cd obj-i686-linux-gnu && make -j5 install DESTDIR=/build/reproducible-path/chemps2-1.8.12/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[2]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' Install the project... -- Install configuration: "release" @@ -3478,56 +3514,56 @@ -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/lib/i386-linux-gnu/libchemps2.a -- Up-to-date: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/bin/chemps2 -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2 --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Lapack.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Excitation.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Correlations.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorS0.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFrotations.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFintegrals.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorF1.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRG.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorT.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Wigner.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Problem.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/CASPT2.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorX.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Tensor3RDM.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DIIS.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/CASSCF.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Heff.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorT.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Irreps.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorS1.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Special.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorO.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Tensor.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Hamiltonian.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/MPIchemps2.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ConvergenceScheme.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DIIS.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFindices.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFunitary.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFintegrals.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Excitation.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Davidson.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ThreeDM.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/EdmistonRuedenberg.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorQ.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TwoIndex.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Tensor3RDM.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorS1.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorKM.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Problem.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/SyBookkeeper.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/FCI.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Wigner.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/CASPT2.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ConjugateGradient.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorGYZ.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Cumulant.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorF0.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/CASSCF.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/FCI.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorOperator.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFwtilde.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Molden.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRG.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Initialize.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ThreeDM.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorL.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorF1.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Options.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Sobject.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFindices.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorKM.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFunitary.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Irreps.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Tensor.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TwoDM.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Special.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorOperator.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Davidson.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorF0.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Cumulant.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorL.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Hamiltonian.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ConvergenceScheme.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Initialize.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRGSCFrotations.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Molden.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TwoIndex.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorS0.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/FourIndex.h --- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Sobject.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorQ.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/MPIchemps2.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Correlations.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ConjugateGradient.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Lapack.h +-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/Options.h -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared.cmake -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared-release.cmake -- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static.cmake @@ -3570,7 +3606,7 @@ dh_makeshlibs -a dpkg-gensymbols: warning: debian/libchemps2-3t64/DEBIAN/symbols doesn't match completely debian/libchemps2-3t64.symbols --- debian/libchemps2-3t64.symbols (libchemps2-3t64_1.8.12-3.1_i386) -+++ dpkg-gensymbolsRv3XsA 2024-08-26 19:52:11.547134591 -1200 ++++ dpkg-gensymbolsQ5cVDS 2025-09-30 06:10:44.337477097 +1400 @@ -142,12 +142,12 @@ _ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.8.7 _ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.8.7 @@ -3630,19 +3666,19 @@ dh_installdeb dh_gencontrol dpkg-gencontrol: warning: package libchemps2-3t64: substitution variable ${python3:Depends} unused, but is defined -dpkg-gencontrol: warning: Depends field of package chemps2-doc: substitution variable ${sphinxdoc:Depends} used, but is not defined dpkg-gencontrol: warning: Depends field of package libchemps2-dev: substitution variable ${shlibs:Depends} used, but is not defined -dpkg-gencontrol: warning: package chemps2-doc: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libchemps2-dev: substitution variable ${python3:Depends} unused, but is defined -dpkg-gencontrol: warning: package chemps2: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libchemps2-3t64: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package chemps2: substitution variable ${python3:Depends} unused, but is defined +dpkg-gencontrol: warning: Depends field of package chemps2-doc: substitution variable ${sphinxdoc:Depends} used, but is not defined +dpkg-gencontrol: warning: package chemps2-doc: substitution variable ${python3:Depends} unused, but is defined +dpkg-gencontrol: warning: package chemps2: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb +dpkg-deb: building package 'python3-chemps2' in '../python3-chemps2_1.8.12-3.1_i386.deb'. dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.12-3.1_i386.deb'. dpkg-deb: building package 'libchemps2-3t64' in '../libchemps2-3t64_1.8.12-3.1_i386.deb'. dpkg-deb: building package 'chemps2' in '../chemps2_1.8.12-3.1_i386.deb'. -dpkg-deb: building package 'python3-chemps2' in '../python3-chemps2_1.8.12-3.1_i386.deb'. dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.12-3.1_i386.deb'. dpkg-deb: building package 'python3-chemps2-dbgsym' in '../python3-chemps2-dbgsym_1.8.12-3.1_i386.deb'. dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-3.1_all.deb'. @@ -3654,12 +3690,14 @@ 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/13351/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/13351/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/16531 and its subdirectories -I: Current time: Mon Aug 26 19:52:16 -12 2024 -I: pbuilder-time-stamp: 1724745136 +I: removing directory /srv/workspace/pbuilder/13351 and its subdirectories +I: Current time: Tue Sep 30 06:11:06 +14 2025 +I: pbuilder-time-stamp: 1759162266