Diff of the two buildlogs: -- --- b1/build.log 2025-03-18 23:19:23.595752730 +0000 +++ b2/build.log 2025-03-19 00:31:39.815265364 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Mon Apr 20 17:39:42 -12 2026 -I: pbuilder-time-stamp: 1776749982 +I: Current time: Wed Mar 19 13:19:29 +14 2025 +I: pbuilder-time-stamp: 1742339969 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -23,54 +23,86 @@ dpkg-source: info: unpacking chemps2_1.8.12-4.debian.tar.xz I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/48291/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/37140/tmp/hooks/D01_modify_environment starting +debug: Running on ionos2-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 Mar 18 23:19 /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/37140/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/37140/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=22 ' - 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]="37" [3]="1" [4]="release" [5]="i686-pc-linux-gnu") + BASH_VERSION='5.2.37(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=i386 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=10 ' + 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='2917fb3fba394d929071cb8edf2c7616' - 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='48291' - PS1='# ' - PS2='> ' + INVOCATION_ID=cf941ed0c62d434ea53229fbe554d338 + 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=37140 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.LRvBmrrO/pbuilderrc_eBRy --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.LRvBmrrO/b1 --logfile b1/build.log chemps2_1.8.12-4.dsc' - SUDO_GID='112' - SUDO_UID='107' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://213.165.73.152:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.LRvBmrrO/pbuilderrc_CofL --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.LRvBmrrO/b2 --logfile b2/build.log chemps2_1.8.12-4.dsc' + SUDO_GID=112 + SUDO_UID=107 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://46.16.76.132:3128 I: uname -a - Linux ionos6-i386 6.1.0-32-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-32-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/48291/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Mar 4 11:20 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/37140/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -310,7 +342,7 @@ Get: 172 http://deb.debian.org/debian unstable/main i386 python3-snowballstemmer all 2.2.0-4 [58.0 kB] Get: 173 http://deb.debian.org/debian unstable/main i386 sphinx-common all 8.1.3-5 [617 kB] Get: 174 http://deb.debian.org/debian unstable/main i386 python3-sphinx all 8.1.3-5 [468 kB] -Fetched 111 MB in 1s (125 MB/s) +Fetched 111 MB in 1s (90.3 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.13-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 ... 19770 files and directories currently installed.) @@ -873,8 +905,8 @@ Setting up tzdata (2025a-2) ... Current default time zone: 'Etc/UTC' -Local time is now: Tue Apr 21 05:40:08 UTC 2026. -Universal Time is now: Tue Apr 21 05:40:08 UTC 2026. +Local time is now: Tue Mar 18 23:20:04 UTC 2025. +Universal Time is now: Tue Mar 18 23:20:04 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... @@ -1048,7 +1080,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/chemps2-1.8.12/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../chemps2_1.8.12-4_source.changes +I: user script /srv/workspace/pbuilder/37140/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/37140/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/chemps2-1.8.12/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../chemps2_1.8.12-4_source.changes dpkg-buildpackage: info: source package chemps2 dpkg-buildpackage: info: source version 1.8.12-4 dpkg-buildpackage: info: source distribution unstable @@ -1117,8 +1153,8 @@ -- 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 1.14.5) (found version "1.14.5") -- Found Sphinx: /usr/bin/sphinx-build --- Configuring done (2.3s) --- Generating done (0.1s) +-- Configuring done (11.2s) +-- Generating done (0.2s) CMake Warning: Manually-specified variables were not used by the project: @@ -1132,7 +1168,7 @@ 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 -j22 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1 + cd obj-i686-linux-gnu && make -j10 "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 @@ -1144,57 +1180,57 @@ 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' -[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o -[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o -[ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.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 -[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o -[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -[ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o -[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o -[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o +[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o +[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o +[ 4%] 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/CASSCF.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCF.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCF.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-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 +[ 5%] 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/CASSCFnewtonraphson.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/CASSCFnewtonraphson.cpp cd /build/reproducible-path/chemps2-1.8.12/obj-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 -[ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o +[ 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 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/ConvergenceScheme.cpp.o -MF CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/ConvergenceScheme.cpp -[ 17%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o +[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.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/Correlations.cpp.o -MF CMakeFiles/chemps2-base.dir/Correlations.cpp.o.d -o CMakeFiles/chemps2-base.dir/Correlations.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Correlations.cpp +[ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-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/Cumulant.cpp.o -MF CMakeFiles/chemps2-base.dir/Cumulant.cpp.o.d -o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Cumulant.cpp -[ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o +[ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.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/Davidson.cpp.o -MF CMakeFiles/chemps2-base.dir/Davidson.cpp.o.d -o CMakeFiles/chemps2-base.dir/Davidson.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Davidson.cpp -[ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o -[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o -[ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o +[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.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/DIIS.cpp.o -MF CMakeFiles/chemps2-base.dir/DIIS.cpp.o.d -o CMakeFiles/chemps2-base.dir/DIIS.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DIIS.cpp +[ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-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/DMRG.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRG.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRG.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRG.cpp +[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o cd /build/reproducible-path/chemps2-1.8.12/obj-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/DMRGfock.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGfock.cpp +[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.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/DMRGmpsio.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGmpsio.cpp +[ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.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/DMRGoperators.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGoperators.cpp +[ 17%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.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/DMRGoperators3RDM.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGoperators3RDM.cpp +[ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.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/DMRGSCFindices.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFindices.cpp +[ 19%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.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/DMRGSCFintegrals.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFintegrals.cpp -[ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o +[ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.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/DMRGSCFmatrix.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFmatrix.cpp +[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.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/DMRGSCFoptions.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFoptions.cpp +[ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o +[ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.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/DMRGSCFrotations.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFrotations.cpp 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/DMRGSCFunitary.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFunitary.cpp -cd /build/reproducible-path/chemps2-1.8.12/obj-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/DMRGmpsio.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGmpsio.cpp -[ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.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/DMRGSCFindices.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFindices.cpp [ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.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/DMRGSCFwtilde.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGSCFwtilde.cpp [ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o 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/DMRGtechnics.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/DMRGtechnics.cpp [ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o -[ 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/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 @@ -1244,17 +1280,17 @@ 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/TensorL.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorL.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorL.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorL.cpp [ 54%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.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/TensorO.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorO.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorO.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorO.cpp -[ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o -[ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o +[ 55%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorOperator.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/TensorOperator.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorOperator.cpp +[ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.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/TensorQ.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorQ.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorQ.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorQ.cpp [ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.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/TensorS0.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorS0.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorS0.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorS0.cpp [ 58%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o -[ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o -[ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.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/TensorS1.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorS1.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorS1.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorS1.cpp +[ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.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/TensorT.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorT.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorT.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorT.cpp +[ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.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/TensorX.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorX.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorX.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorX.cpp [ 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 @@ -1267,20 +1303,20 @@ 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' 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 -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' 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-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/build -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]: 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' [ 66%] Linking CXX shared library libchemps2.so -[ 67%] Linking CXX static library libchemps2.a 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 +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' +[ 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 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" @@ -1292,197 +1328,197 @@ 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 -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/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/test5.dir/build.make tests/CMakeFiles/test5.dir/depend +make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.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 -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend +make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/depend +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/test2.dir/DependInfo.cmake "--color=" -make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/depend +make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build +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' 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[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]: 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' +make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +[ 68%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o +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/test4.dir/build.make tests/CMakeFiles/test4.dir/depend +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 +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +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/test4.dir/DependInfo.cmake "--color=" -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' 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 -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/depend +make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend +[ 69%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.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 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=" -make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/depend -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/test8.dir/DependInfo.cmake "--color=" -make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/depend +make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/depend +[ 70%] 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 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=" -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=" -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/test10.dir/DependInfo.cmake "--color=" -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 /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]: 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]: 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]: 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/test14.dir/DependInfo.cmake "--color=" -make[4]: Leaving 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 -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/depend +[ 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/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]: 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/test4.dir/build.make tests/CMakeFiles/test4.dir/build 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 -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build make[4]: Entering 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]: 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' +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' 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 -make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/build +make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build +[ 72%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o 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/test8.dir/build.make tests/CMakeFiles/test8.dir/build +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 -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' -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' -make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build +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=" +[ 73%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o +[ 75%] 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/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 +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 +[ 76%] 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 +[ 77%] 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]: 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' -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' +[ 78%] 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 +[ 79%] 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 +[ 80%] 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 +[ 81%] 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/test2.dir/link.txt --verbose=1 +[ 82%] 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 +[ 83%] 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 +[ 84%] 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 +[ 85%] 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 +[ 86%] 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 +[ 88%] Linking CXX executable test8 +/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 -Wl,--dependency-file=CMakeFiles/test3.dir/link.d 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 +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/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 -Wl,--dependency-file=CMakeFiles/test5.dir/link.d 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 make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +[ 88%] Built target test3 +make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/depend +[ 88%] Built target test5 +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/test10.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/test11.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/test10.dir/build.make tests/CMakeFiles/test10.dir/build +make[4]: Entering 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 -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/build +[ 89%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o make[4]: Entering 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 +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 +[ 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 +[ 91%] 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 -Wl,--dependency-file=CMakeFiles/test6.dir/link.d 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 make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +[ 91%] Built target test6 +make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/depend +make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-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' -make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/build -make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build +[ 92%] 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 +/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 -Wl,--dependency-file=CMakeFiles/test2.dir/link.d 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 +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +[ 92%] Built target test2 +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/test13.dir/build.make tests/CMakeFiles/test13.dir/build make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +[ 93%] 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 +/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 -Wl,--dependency-file=CMakeFiles/test4.dir/link.d 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 +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +[ 93%] Built target test4 +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 /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/test14.dir/DependInfo.cmake "--color=" +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' -[ 68%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -[ 69%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.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 -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 -[ 71%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o -[ 71%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o -[ 72%] 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/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 -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 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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 -[ 73%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o -[ 75%] 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/test1.dir/tests/test1.cpp.o -MF CMakeFiles/test1.dir/tests/test1.cpp.o.d -o CMakeFiles/test1.dir/tests/test1.cpp.o -c 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-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 -[ 78%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o -[ 79%] 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 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-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 -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 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CMakeFiles/test14.dir/tests/test14.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu/tests/tests/test14.cpp -[ 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 -[ 84%] 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 -[ 85%] 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 -[ 86%] 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/test2.dir/link.txt --verbose=1 -[ 88%] 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 -[ 89%] 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 -[ 90%] 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 -Wl,--dependency-file=CMakeFiles/test12.dir/link.d 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 +/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 -Wl,--dependency-file=CMakeFiles/test7.dir/link.d 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 +/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 -Wl,--dependency-file=CMakeFiles/test1.dir/link.d 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 make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' -[ 92%] Linking CXX executable test4 -[ 92%] 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 -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 -[ 93%] 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 -[ 93%] Built target test12 -/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 -Wl,--dependency-file=CMakeFiles/test14.dir/link.d 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' -[ 94%] 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 -[ 94%] Built target test14 -/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 -Wl,--dependency-file=CMakeFiles/test2.dir/link.d 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 +[ 94%] Built target test7 +[ 94%] Built target test1 +/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 -Wl,--dependency-file=CMakeFiles/test9.dir/link.d 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 +make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-i686-linux-gnu' +/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 -Wl,--dependency-file=CMakeFiles/test8.dir/link.d 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 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/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 -[ 98%] Linking CXX executable test6 -[ 98%] Built target test2 -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 -Wl,--dependency-file=CMakeFiles/test9.dir/link.d 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 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-lm -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' -[ 98%] Built target test5 -[ 98%] Built target test7 -[100%] 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 -Wl,--dependency-file=CMakeFiles/test11.dir/link.d 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 +[100%] Built target test13 +/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 -Wl,--dependency-file=CMakeFiles/test10.dir/link.d 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' -[100%] Built target test11 -/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 -Wl,--dependency-file=CMakeFiles/test1.dir/link.d 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 +[100%] Built target test10 +/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 -Wl,--dependency-file=CMakeFiles/test14.dir/link.d 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 test1 +[100%] Built target test14 /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 -Wl,--dependency-file=CMakeFiles/chemps2-bin.dir/link.d "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' [100%] Built target chemps2-bin @@ -1538,8 +1574,8 @@ preparing documents... done copying assets... copying static files... -Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/basic.css Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/documentation_options.js +Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/basic.css Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/language_data.js Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/classic.css Writing evaluated template result to /build/reproducible-path/chemps2-1.8.12/build-sphinx/html/_static/sidebar.js @@ -1590,15 +1626,15 @@ 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 3.94 sec +1/3 Test #3: test3 ............................ Passed 403.24 sec Start 5: test5 -2/3 Test #5: test5 ............................ Passed 1.73 sec +2/3 Test #5: test5 ............................ Passed 76.75 sec Start 8: test8 -3/3 Test #8: test8 ............................ Passed 3.40 sec +3/3 Test #8: test8 ............................ Passed 343.86 sec 100% tests passed, 0 tests failed out of 3 -Total Test time (real) = 9.07 sec +Total Test time (real) = 823.97 sec cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-x86_64-cpython-313:.. \ LD_LIBRARY_PATH=../../obj-i686-linux-gnu/CheMPS2:/usr/lib/i386-linux-gnu/hdf5/serial \ python3 test1.py @@ -1622,157 +1658,157 @@ 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 -100.633865538108 - Stats: nIt(DAVIDSON) = 15 -Energy at sites (7, 8) is -106.852066923605 - Stats: nIt(DAVIDSON) = 58 -Energy at sites (6, 7) is -106.878042382392 - Stats: nIt(DAVIDSON) = 59 -Energy at sites (5, 6) is -106.904698547062 - Stats: nIt(DAVIDSON) = 41 -Energy at sites (4, 5) is -107.628749565176 - Stats: nIt(DAVIDSON) = 32 -Energy at sites (3, 4) is -107.648022852852 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (8, 9) is -105.539235675984 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (7, 8) is -106.852871303465 + Stats: nIt(DAVIDSON) = 70 +Energy at sites (6, 7) is -106.880325858633 + Stats: nIt(DAVIDSON) = 55 +Energy at sites (5, 6) is -106.90607982209 + Stats: nIt(DAVIDSON) = 44 +Energy at sites (4, 5) is -107.631239036193 + Stats: nIt(DAVIDSON) = 24 +Energy at sites (3, 4) is -107.64808127018 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648022852851 +Energy at sites (2, 3) is -107.64808127018 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648022852851 +Energy at sites (1, 2) is -107.64808127018 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 0.310359 seconds -*** |--> S.join = 0.007528 seconds -*** |--> S.solve = 0.249391 seconds -*** |--> S.split = 0.004721 seconds -*** |--> Tensor update = 0.047971 seconds -*** |--> create = 0.021685 seconds -*** |--> destroy = 0.001121 seconds -*** |--> disk write = 0.012086 seconds -*** |--> disk read = 0.00679 seconds -*** |--> calc = 0.00626 seconds -*** Disk write bandwidth = 48.4825739023328 MB/s -*** Disk read bandwidth = 86.5896952520941 MB/s -*** Minimum energy = -107.648022852852 +*** Elapsed wall time = 7.76172 seconds +*** |--> S.join = 0.0786780000000001 seconds +*** |--> S.solve = 6.818154 seconds +*** |--> S.split = 0.278549 seconds +*** |--> Tensor update = 0.584226 seconds +*** |--> create = 0.052808 seconds +*** |--> destroy = 0.002378 seconds +*** |--> disk write = 0.022466 seconds +*** |--> disk read = 0.020669 seconds +*** |--> calc = 0.485774 seconds +*** Disk write bandwidth = 26.0820968656456 MB/s +*** Disk read bandwidth = 28.445693103765 MB/s +*** Minimum energy = -107.64808127018 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.648022852851 +Energy at sites (0, 1) is -107.64808127018 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648022852851 +Energy at sites (1, 2) is -107.64808127018 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648022852851 +Energy at sites (2, 3) is -107.64808127018 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648022852851 +Energy at sites (3, 4) is -107.64808127018 Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -107.648041252407 +Energy at sites (4, 5) is -107.648107045099 Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.648250568393 +Energy at sites (5, 6) is -107.648250717483 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250568393 +Energy at sites (6, 7) is -107.648250717483 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250568393 +Energy at sites (7, 8) is -107.648250717483 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.111506 seconds -*** |--> S.join = 0.006095 seconds -*** |--> S.solve = 0.037143 seconds -*** |--> S.split = 0.010674 seconds -*** |--> Tensor update = 0.057445 seconds -*** |--> create = 0.021963 seconds -*** |--> destroy = 0.001246 seconds -*** |--> disk write = 0.011694 seconds -*** |--> disk read = 0.006529 seconds -*** |--> calc = 0.015983 seconds -*** Disk write bandwidth = 50.2774098479322 MB/s -*** Disk read bandwidth = 89.7473408153766 MB/s -*** Minimum energy = -107.648250568393 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.648250568393 +*** Elapsed wall time = 2.120205 seconds +*** |--> S.join = 0.095731 seconds +*** |--> S.solve = 1.167483 seconds +*** |--> S.split = 0.296377 seconds +*** |--> Tensor update = 0.558663 seconds +*** |--> create = 0.045896 seconds +*** |--> destroy = 0.002715 seconds +*** |--> disk write = 0.021897 seconds +*** |--> disk read = 0.016131 seconds +*** |--> calc = 0.471921 seconds +*** Disk write bandwidth = 26.8504375376407 MB/s +*** Disk read bandwidth = 36.3251124036696 MB/s +*** Minimum energy = -107.648250717483 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.648250717483 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.648250568393 +Energy at sites (8, 9) is -107.648250717483 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250568393 +Energy at sites (7, 8) is -107.648250717483 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250568393 +Energy at sites (6, 7) is -107.648250717483 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.648250568393 +Energy at sites (5, 6) is -107.648250717483 Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.648250858334 +Energy at sites (4, 5) is -107.648250903549 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.64825097252 +Energy at sites (3, 4) is -107.648250972834 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.64825097252 +Energy at sites (2, 3) is -107.648250972834 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.64825097252 +Energy at sites (1, 2) is -107.648250972834 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.144356 seconds -*** |--> S.join = 0.008449 seconds -*** |--> S.solve = 0.048648 seconds -*** |--> S.split = 0.01928 seconds -*** |--> Tensor update = 0.067803 seconds -*** |--> create = 0.021924 seconds -*** |--> destroy = 0.001285 seconds -*** |--> disk write = 0.011703 seconds -*** |--> disk read = 0.00664 seconds -*** |--> calc = 0.026223 seconds -*** Disk write bandwidth = 50.0692461918819 MB/s -*** Disk read bandwidth = 88.5457877653191 MB/s -*** Minimum energy = -107.64825097252 +*** Elapsed wall time = 1.881589 seconds +*** |--> S.join = 0.079139 seconds +*** |--> S.solve = 0.92532 seconds +*** |--> S.split = 0.316207 seconds +*** |--> Tensor update = 0.558686 seconds +*** |--> create = 0.050455 seconds +*** |--> destroy = 0.002499 seconds +*** |--> disk write = 0.01978 seconds +*** |--> disk read = 0.026307 seconds +*** |--> calc = 0.459522 seconds +*** Disk write bandwidth = 29.6238821124163 MB/s +*** Disk read bandwidth = 22.3493378477865 MB/s +*** Minimum energy = -107.648250972834 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.64825097252 +Energy at sites (0, 1) is -107.648250972834 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.64825097252 +Energy at sites (1, 2) is -107.648250972834 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.64825097252 +Energy at sites (2, 3) is -107.648250972834 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.64825097252 +Energy at sites (3, 4) is -107.648250972834 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.648250972611 +Energy at sites (4, 5) is -107.648250972875 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.648250973998 +Energy at sites (5, 6) is -107.648250973997 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250973998 +Energy at sites (6, 7) is -107.648250973997 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250973998 +Energy at sites (7, 8) is -107.648250973997 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.157602 seconds -*** |--> S.join = 0.011306 seconds -*** |--> S.solve = 0.057973 seconds -*** |--> S.split = 0.019155 seconds -*** |--> Tensor update = 0.068996 seconds -*** |--> create = 0.0216 seconds -*** |--> destroy = 0.001356 seconds -*** |--> disk write = 0.012105 seconds -*** |--> disk read = 0.006538 seconds -*** |--> calc = 0.027369 seconds -*** Disk write bandwidth = 48.5703453747806 MB/s -*** Disk read bandwidth = 89.6237975196687 MB/s -*** Minimum energy = -107.648250973998 +*** Elapsed wall time = 1.713179 seconds +*** |--> S.join = 0.096928 seconds +*** |--> S.solve = 0.791728 seconds +*** |--> S.split = 0.30125 seconds +*** |--> Tensor update = 0.521232 seconds +*** |--> create = 0.043555 seconds +*** |--> destroy = 0.002496 seconds +*** |--> disk write = 0.020974 seconds +*** |--> disk read = 0.03364 seconds +*** |--> calc = 0.420456 seconds +*** Disk write bandwidth = 28.0320411348202 MB/s +*** Disk read bandwidth = 17.4185608853625 MB/s +*** Minimum energy = -107.648250973997 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 4.05604623665567e-07 +*** Energy difference with respect to previous leftright sweep = 2.56513487784105e-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 = -107.648250973997 +*** Minimum energy encountered during the last sweep = -107.648250973997 *** 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 -107.648250973999 +Energy at sites (8, 9) is -107.648250973998 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (7, 8) is -107.648250973998 Stats: nIt(DAVIDSON) = 10 -Energy at sites (6, 7) is -107.648250974001 +Energy at sites (6, 7) is -107.648250974 Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.648250974001 +Energy at sites (5, 6) is -107.648250974 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.648250974004 +Energy at sites (4, 5) is -107.648250974006 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 @@ -1781,18 +1817,18 @@ Energy at sites (1, 2) is -107.648250974013 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.408517 seconds -*** |--> S.join = 0.015183 seconds -*** |--> S.solve = 0.277229 seconds -*** |--> S.split = 0.035629 seconds -*** |--> Tensor update = 0.079864 seconds -*** |--> create = 0.021839 seconds -*** |--> destroy = 0.001202 seconds -*** |--> disk write = 0.01294 seconds -*** |--> disk read = 0.006723 seconds -*** |--> calc = 0.037112 seconds -*** Disk write bandwidth = 45.2828738936317 MB/s -*** Disk read bandwidth = 87.4526298916732 MB/s +*** Elapsed wall time = 3.049728 seconds +*** |--> S.join = 0.076468 seconds +*** |--> S.solve = 2.169406 seconds +*** |--> S.split = 0.292032 seconds +*** |--> Tensor update = 0.503812 seconds +*** |--> create = 0.040068 seconds +*** |--> destroy = 0.013335 seconds +*** |--> disk write = 0.017874 seconds +*** |--> disk read = 0.016886 seconds +*** |--> calc = 0.415484 seconds +*** Disk write bandwidth = 32.7828347422845 MB/s +*** Disk read bandwidth = 34.8184312899277 MB/s *** Minimum energy = -107.648250974013 *** Maximum discarded weight = 0 ****************************************************************** @@ -1805,7 +1841,7 @@ Stats: nIt(DAVIDSON) = 1 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 @@ -1814,21 +1850,21 @@ Energy at sites (7, 8) is -107.648250974013 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.45089 seconds -*** |--> S.join = 0.018902 seconds -*** |--> S.solve = 0.24629 seconds -*** |--> S.split = 0.060373 seconds -*** |--> Tensor update = 0.124375 seconds -*** |--> create = 0.021894 seconds -*** |--> destroy = 0.00116 seconds -*** |--> disk write = 0.01361 seconds -*** |--> disk read = 0.006811 seconds -*** |--> calc = 0.080854 seconds -*** Disk write bandwidth = 43.1994144571432 MB/s -*** Disk read bandwidth = 86.0314767557765 MB/s +*** Elapsed wall time = 2.279569 seconds +*** |--> S.join = 0.113635 seconds +*** |--> S.solve = 1.334348 seconds +*** |--> S.split = 0.29461 seconds +*** |--> Tensor update = 0.535294 seconds +*** |--> create = 0.036074 seconds +*** |--> destroy = 0.01585 seconds +*** |--> disk write = 0.019546 seconds +*** |--> disk read = 0.01287 seconds +*** |--> calc = 0.450825 seconds +*** Disk write bandwidth = 30.0800179454476 MB/s +*** Disk read bandwidth = 45.5291676910329 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.56035184772918e-11 +*** Energy difference with respect to previous leftright sweep = 1.65130131790647e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -1842,54 +1878,54 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974013 - NOON of irrep Ag = [ 1.99999530444259 , 1.99487994122934 , 1.9826795407351 ]. - NOON of irrep B2g = [ 0.0748715524073649 ]. - NOON of irrep B3g = [ 0.0748715522563925 ]. - NOON of irrep B1u = [ 1.99999681839218 , 1.98658242708295 , 0.0188079711938707 ]. - NOON of irrep B2u = [ 1.93365744609213 ]. - NOON of irrep B3u = [ 1.93365744616808 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009430125958 , 0.0515866784976557 , 0.0764971081132513 , 0.257716819111484 , 0.257716818879078 , 8.47155301284235e-05 , 0.0462800405249361 , 0.100736303303423 , 0.241506019803737 , 0.24150601961027 ]. - Idistance(0) = 1.30939331280087 - Idistance(1) = 5.42402999668471 - Idistance(2) = 26.7355488136575 + Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974014 + NOON of irrep Ag = [ 1.99999530444276 , 1.99487994129943 , 1.98267954075349 ]. + NOON of irrep B2g = [ 0.0748715524872941 ]. + NOON of irrep B3g = [ 0.0748715522530608 ]. + NOON of irrep B1u = [ 1.99999681839216 , 1.98658242699729 , 0.0188079712290467 ]. + NOON of irrep B2u = [ 1.93365744603717 ]. + NOON of irrep B3u = [ 1.93365744610828 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009431206225 , 0.0515866786245946 , 0.0764971074970037 , 0.257716819259628 , 0.257716818902861 , 8.47155303013115e-05 , 0.0462800407896279 , 0.100736303273718 , 0.241506019939812 , 0.241506019727286 ]. + Idistance(0) = 1.30939331259695 + Idistance(1) = 5.42402999641348 + Idistance(2) = 26.7355488126339 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.496754 seconds -*** |--> MPS gauge change = 0.154234 seconds -*** |--> Diagram calc = 0.026821 seconds -*** |--> Tensor update = 0.31355 seconds -*** |--> create = 0.04862 seconds -*** |--> destroy = 0.003026 seconds -*** |--> disk write = 0.030113 seconds -*** |--> disk read = 0.016736 seconds -*** |--> calc = 0.214912 seconds -*** Disk write bandwidth = 39.5386727246642 MB/s -*** Disk read bandwidth = 71.1417334941332 MB/s +*** Elapsed wall time = 2.498206 seconds +*** |--> MPS gauge change = 0.806789 seconds +*** |--> Diagram calc = 0.196438 seconds +*** |--> Tensor update = 1.493189 seconds +*** |--> create = 0.153703 seconds +*** |--> destroy = 0.006497 seconds +*** |--> disk write = 0.054711 seconds +*** |--> disk read = 0.101505 seconds +*** |--> calc = 1.176247 seconds +*** Disk write bandwidth = 21.7621328756157 MB/s +*** Disk read bandwidth = 11.7297478129926 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 = 0.045876 seconds -FCI::matvec : Wall time = 0.132667 seconds -FCI::matvec : Wall time = 0.070115 seconds -FCI::matvec : Wall time = 0.666015 seconds -FCI::matvec : Wall time = 0.014539 seconds -FCI::matvec : Wall time = 1.431309 seconds -FCI::matvec : Wall time = 0.223928 seconds -FCI::matvec : Wall time = 0.018355 seconds -FCI::matvec : Wall time = 0.139318 seconds -FCI::matvec : Wall time = 0.017499 seconds -FCI::matvec : Wall time = 0.02137 seconds -FCI::matvec : Wall time = 0.016205 seconds -FCI::matvec : Wall time = 0.018905 seconds -FCI::matvec : Wall time = 0.025113 seconds -FCI::matvec : Wall time = 0.022605 seconds -FCI::matvec : Wall time = 0.020074 seconds -FCI::matvec : Wall time = 0.020476 seconds -FCI::matvec : Wall time = 0.019218 seconds +FCI::matvec : Wall time = 31.103995 seconds +FCI::matvec : Wall time = 28.695541 seconds +FCI::matvec : Wall time = 28.739463 seconds +FCI::matvec : Wall time = 34.827002 seconds +FCI::matvec : Wall time = 32.343377 seconds +FCI::matvec : Wall time = 31.879515 seconds +FCI::matvec : Wall time = 31.563305 seconds +FCI::matvec : Wall time = 31.975273 seconds +FCI::matvec : Wall time = 34.199254 seconds +FCI::matvec : Wall time = 30.087575 seconds +FCI::matvec : Wall time = 30.323528 seconds +FCI::matvec : Wall time = 30.895549 seconds +FCI::matvec : Wall time = 31.715447 seconds +FCI::matvec : Wall time = 30.055295 seconds +FCI::matvec : Wall time = 28.291239 seconds +FCI::matvec : Wall time = 34.419041 seconds +FCI::matvec : Wall time = 31.163376 seconds +FCI::matvec : Wall time = 31.454881 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974014 -FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -1.05134898299583e-18 and intended S(S+1) = 0 +FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -1.50270693498117e-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 @@ -1909,114 +1945,114 @@ 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 -101.968496186756 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (8, 9) is -104.025441307761 + Stats: nIt(DAVIDSON) = 32 +Energy at sites (7, 8) is -106.341802769301 Stats: nIt(DAVIDSON) = 40 -Energy at sites (7, 8) is -106.334274580428 - Stats: nIt(DAVIDSON) = 31 -Energy at sites (6, 7) is -106.368604799623 - Stats: nIt(DAVIDSON) = 60 -Energy at sites (5, 6) is -107.317895545296 - Stats: nIt(DAVIDSON) = 48 -Energy at sites (4, 5) is -107.325675514692 - Stats: nIt(DAVIDSON) = 22 -Energy at sites (3, 4) is -107.328763352359 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (2, 3) is -107.328764775331 +Energy at sites (6, 7) is -106.374397701445 + Stats: nIt(DAVIDSON) = 62 +Energy at sites (5, 6) is -107.317960302708 + Stats: nIt(DAVIDSON) = 46 +Energy at sites (4, 5) is -107.325708466835 + Stats: nIt(DAVIDSON) = 24 +Energy at sites (3, 4) is -107.328763192708 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (2, 3) is -107.328764951479 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328764775331 +Energy at sites (1, 2) is -107.328764951479 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 1.3455 seconds -*** |--> S.join = 0.014921 seconds -*** |--> S.solve = 1.1876 seconds -*** |--> S.split = 0.035474 seconds -*** |--> Tensor update = 0.10668 seconds -*** |--> create = 0.024332 seconds -*** |--> destroy = 0.001291 seconds -*** |--> disk write = 0.012886 seconds -*** |--> disk read = 0.00676 seconds -*** |--> calc = 0.061379 seconds -*** Disk write bandwidth = 65.5615198377236 MB/s -*** Disk read bandwidth = 124.438133465468 MB/s -*** Minimum energy = -107.328764775331 +*** Elapsed wall time = 8.616525 seconds +*** |--> S.join = 0.113614 seconds +*** |--> S.solve = 7.630398 seconds +*** |--> S.split = 0.330539 seconds +*** |--> Tensor update = 0.540055 seconds +*** |--> create = 0.056161 seconds +*** |--> destroy = 0.008661 seconds +*** |--> disk write = 0.019187 seconds +*** |--> disk read = 0.013713 seconds +*** |--> calc = 0.442211 seconds +*** Disk write bandwidth = 44.0311536263567 MB/s +*** Disk read bandwidth = 61.3433808959792 MB/s +*** Minimum energy = -107.328764951479 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328764775331 +Energy at sites (0, 1) is -107.328764951479 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328764775331 +Energy at sites (1, 2) is -107.328764951479 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328764775331 +Energy at sites (2, 3) is -107.328764951479 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.328764777088 +Energy at sites (3, 4) is -107.328764953748 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.328766984476 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (5, 6) is -107.328768892385 +Energy at sites (4, 5) is -107.328766936653 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (5, 6) is -107.328768891564 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768892385 +Energy at sites (6, 7) is -107.328768891564 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768892385 +Energy at sites (7, 8) is -107.328768891564 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.500509 seconds -*** |--> S.join = 0.018641 seconds -*** |--> S.solve = 0.276722 seconds -*** |--> S.split = 0.067465 seconds -*** |--> Tensor update = 0.136784 seconds -*** |--> create = 0.025508 seconds -*** |--> destroy = 0.001169 seconds -*** |--> disk write = 0.01381 seconds -*** |--> disk read = 0.006781 seconds -*** |--> calc = 0.089481 seconds -*** Disk write bandwidth = 60.9125113849792 MB/s -*** Disk read bandwidth = 124.58719136247 MB/s -*** Minimum energy = -107.328768892385 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.328768892385 +*** Elapsed wall time = 2.238332 seconds +*** |--> S.join = 0.083397 seconds +*** |--> S.solve = 1.262206 seconds +*** |--> S.split = 0.322044 seconds +*** |--> Tensor update = 0.568933 seconds +*** |--> create = 0.037873 seconds +*** |--> destroy = 0.035521 seconds +*** |--> disk write = 0.01973 seconds +*** |--> disk read = 0.011918 seconds +*** |--> calc = 0.463687 seconds +*** Disk write bandwidth = 42.6356706653098 MB/s +*** Disk read bandwidth = 70.8865367199955 MB/s +*** Minimum energy = -107.328768891564 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.328768891564 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.328768892385 +Energy at sites (8, 9) is -107.328768891564 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768892385 +Energy at sites (7, 8) is -107.328768891564 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768892385 +Energy at sites (6, 7) is -107.328768891564 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768892385 +Energy at sites (5, 6) is -107.328768891564 Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.328768892739 +Energy at sites (4, 5) is -107.32876889196 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.328768897997 +Energy at sites (3, 4) is -107.328768897992 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768897997 +Energy at sites (2, 3) is -107.328768897991 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897997 +Energy at sites (1, 2) is -107.328768897991 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.419964 seconds -*** |--> S.join = 0.018617 seconds -*** |--> S.solve = 0.201705 seconds -*** |--> S.split = 0.069615 seconds -*** |--> Tensor update = 0.129194 seconds -*** |--> create = 0.024891 seconds -*** |--> destroy = 0.001248 seconds -*** |--> disk write = 0.013097 seconds -*** |--> disk read = 0.00688 seconds -*** |--> calc = 0.083039 seconds -*** Disk write bandwidth = 64.505287060312 MB/s -*** Disk read bandwidth = 122.267700905024 MB/s -*** Minimum energy = -107.328768897997 +*** Elapsed wall time = 1.860998 seconds +*** |--> S.join = 0.103769 seconds +*** |--> S.solve = 0.881258 seconds +*** |--> S.split = 0.345583 seconds +*** |--> Tensor update = 0.528535 seconds +*** |--> create = 0.029684 seconds +*** |--> destroy = 0.009015 seconds +*** |--> disk write = 0.020121 seconds +*** |--> disk read = 0.016043 seconds +*** |--> calc = 0.453562 seconds +*** Disk write bandwidth = 41.987264282536 MB/s +*** Disk read bandwidth = 52.4341944914644 MB/s +*** Minimum energy = -107.328768897992 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328768897997 +Energy at sites (0, 1) is -107.328768897991 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897997 +Energy at sites (1, 2) is -107.328768897991 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768897997 +Energy at sites (2, 3) is -107.328768897991 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.328768897997 +Energy at sites (3, 4) is -107.328768897991 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 @@ -2027,21 +2063,21 @@ Energy at sites (7, 8) is -107.328768898019 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.398042 seconds -*** |--> S.join = 0.020678 seconds -*** |--> S.solve = 0.17027 seconds -*** |--> S.split = 0.070403 seconds -*** |--> Tensor update = 0.136305 seconds -*** |--> create = 0.024025 seconds -*** |--> destroy = 0.001177 seconds -*** |--> disk write = 0.012494 seconds -*** |--> disk read = 0.007247 seconds -*** |--> calc = 0.09133 seconds -*** Disk write bandwidth = 67.3284602390397 MB/s -*** Disk read bandwidth = 116.575927229047 MB/s +*** Elapsed wall time = 1.693701 seconds +*** |--> S.join = 0.103317 seconds +*** |--> S.solve = 0.784991 seconds +*** |--> S.split = 0.31555 seconds +*** |--> Tensor update = 0.484045 seconds +*** |--> create = 0.064678 seconds +*** |--> destroy = 0.002782 seconds +*** |--> disk write = 0.018087 seconds +*** |--> disk read = 0.017019 seconds +*** |--> calc = 0.381371 seconds +*** Disk write bandwidth = 46.5086405831018 MB/s +*** Disk read bandwidth = 49.6401518672605 MB/s *** Minimum energy = -107.328768898019 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.63491653338133e-09 +*** Energy difference with respect to previous leftright sweep = 6.45493969386735e-09 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 @@ -2053,33 +2089,33 @@ Stats: nIt(DAVIDSON) = 8 Energy at sites (8, 9) is -107.328768898022 Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -107.328768898027 - 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 -107.328768898031 +Energy at sites (7, 8) is -107.328768898026 Stats: nIt(DAVIDSON) = 14 -Energy at sites (3, 4) is -107.328768898031 +Energy at sites (6, 7) is -107.32876889803 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (5, 6) is -107.32876889803 Stats: nIt(DAVIDSON) = 10 +Energy at sites (4, 5) is -107.32876889803 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (3, 4) is -107.32876889803 + Stats: nIt(DAVIDSON) = 11 Energy at sites (2, 3) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.853359 seconds -*** |--> S.join = 0.017883 seconds -*** |--> S.solve = 0.647249 seconds -*** |--> S.split = 0.062132 seconds -*** |--> Tensor update = 0.12527 seconds -*** |--> create = 0.024616 seconds -*** |--> destroy = 0.001283 seconds -*** |--> disk write = 0.013067 seconds -*** |--> disk read = 0.006651 seconds -*** |--> calc = 0.07962 seconds -*** Disk write bandwidth = 64.6533821557287 MB/s -*** Disk read bandwidth = 126.477489434155 MB/s +*** Elapsed wall time = 3.948801 seconds +*** |--> S.join = 0.113987 seconds +*** |--> S.solve = 2.927046 seconds +*** |--> S.split = 0.332434 seconds +*** |--> Tensor update = 0.573337 seconds +*** |--> create = 0.034125 seconds +*** |--> destroy = 0.00698 seconds +*** |--> disk write = 0.018945 seconds +*** |--> disk read = 0.024828 seconds +*** |--> calc = 0.488343 seconds +*** Disk write bandwidth = 44.5935996109214 MB/s +*** Disk read bandwidth = 33.8811737645627 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 ****************************************************************** @@ -2089,9 +2125,9 @@ Energy at sites (1, 2) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768898033 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 10 Energy at sites (3, 4) is -107.328768898033 - Stats: nIt(DAVIDSON) = 7 + Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.328768898033 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.328768898033 @@ -2101,21 +2137,21 @@ Energy at sites (7, 8) is -107.328768898033 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.716146 seconds -*** |--> S.join = 0.019033 seconds -*** |--> S.solve = 0.325192 seconds -*** |--> S.split = 0.234336 seconds -*** |--> Tensor update = 0.136702 seconds -*** |--> create = 0.02509 seconds -*** |--> destroy = 0.001181 seconds -*** |--> disk write = 0.012476 seconds -*** |--> disk read = 0.006931 seconds -*** |--> calc = 0.090989 seconds -*** Disk write bandwidth = 67.4255997296058 MB/s -*** Disk read bandwidth = 121.890887985703 MB/s +*** Elapsed wall time = 2.334398 seconds +*** |--> S.join = 0.1048 seconds +*** |--> S.solve = 1.396849 seconds +*** |--> S.split = 0.306556 seconds +*** |--> Tensor update = 0.520754 seconds +*** |--> create = 0.058551 seconds +*** |--> destroy = 0.009907 seconds +*** |--> disk write = 0.017876 seconds +*** |--> disk read = 0.011815 seconds +*** |--> calc = 0.422495 seconds +*** Disk write bandwidth = 47.0576069717254 MB/s +*** Disk read bandwidth = 71.5045065280496 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.31592514662771e-11 +*** Energy difference with respect to previous leftright sweep = 1.35003119794419e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2130,50 +2166,50 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898033 - NOON of irrep Ag = [ 1.99999672241053 , 1.99571463015381 , 1.98497373603785 ]. - NOON of irrep B2g = [ 0.538989905101176 ]. - NOON of irrep B3g = [ 0.538989904974975 ]. - NOON of irrep B1u = [ 1.99999702947248 , 1.99149890562498 , 0.0194690668425017 ]. - NOON of irrep B2u = [ 1.46518504975463 ]. - NOON of irrep B3u = [ 1.46518504962708 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862741208243 , 0.0587089373747512 , 0.0554792810276574 , 1.11957630006699 , 1.11957629999905 , 8.52797481945368e-05 , 0.0421718621405387 , 0.105000352910434 , 1.11261995849063 , 1.1126199585606 ]. - Idistance(0) = 4.60188108191911 - Idistance(1) = 17.7825010797504 - Idistance(2) = 85.6947708214473 + NOON of irrep Ag = [ 1.99999672241033 , 1.99571463016455 , 1.98497373602852 ]. + NOON of irrep B2g = [ 0.53898990507804 ]. + NOON of irrep B3g = [ 0.538989904997338 ]. + NOON of irrep B1u = [ 1.99999702947249 , 1.99149890562418 , 0.0194690668425544 ]. + NOON of irrep B2u = [ 1.46518504973192 ]. + NOON of irrep B3u = [ 1.46518504965009 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.00010586274215788 , 0.0587089373817938 , 0.0554792810502922 , 1.11957630005402 , 1.11957630001183 , 8.52797481560327e-05 , 0.0421718621424713 , 0.105000352908053 , 1.11261995850399 , 1.11261995854786 ]. + Idistance(0) = 4.60188108190548 + Idistance(1) = 17.7825010794864 + Idistance(2) = 85.6947708195657 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.465189 seconds -*** |--> MPS gauge change = 0.127447 seconds -*** |--> Diagram calc = 0.029635 seconds -*** |--> Tensor update = 0.306015 seconds -*** |--> create = 0.05787 seconds -*** |--> destroy = 0.00301 seconds -*** |--> disk write = 0.027061 seconds -*** |--> disk read = 0.016041 seconds -*** |--> calc = 0.201852 seconds -*** Disk write bandwidth = 63.2993618403503 MB/s -*** Disk read bandwidth = 106.785364426265 MB/s +*** Elapsed wall time = 2.13986 seconds +*** |--> MPS gauge change = 0.623699 seconds +*** |--> Diagram calc = 0.167386 seconds +*** |--> Tensor update = 1.345816 seconds +*** |--> create = 0.115751 seconds +*** |--> destroy = 0.008301 seconds +*** |--> disk write = 0.073065 seconds +*** |--> disk read = 0.0843390000000001 seconds +*** |--> calc = 1.063772 seconds +*** Disk write bandwidth = 23.4441118286693 MB/s +*** Disk read bandwidth = 20.3102245789222 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 = 0.265995 seconds -FCI::matvec : Wall time = 0.013157 seconds -FCI::matvec : Wall time = 0.016674 seconds -FCI::matvec : Wall time = 0.014042 seconds -FCI::matvec : Wall time = 0.078997 seconds -FCI::matvec : Wall time = 0.011895 seconds -FCI::matvec : Wall time = 0.015495 seconds -FCI::matvec : Wall time = 0.011239 seconds -FCI::matvec : Wall time = 0.011782 seconds -FCI::matvec : Wall time = 0.011938 seconds -FCI::matvec : Wall time = 0.016082 seconds -FCI::matvec : Wall time = 0.011532 seconds -FCI::matvec : Wall time = 0.011991 seconds -FCI::matvec : Wall time = 0.01349 seconds -FCI::matvec : Wall time = 0.01456 seconds -FCI::matvec : Wall time = 0.013408 seconds -FCI::matvec : Wall time = 0.011269 seconds +FCI::matvec : Wall time = 30.523973 seconds +FCI::matvec : Wall time = 31.736125 seconds +FCI::matvec : Wall time = 31.019896 seconds +FCI::matvec : Wall time = 34.375731 seconds +FCI::matvec : Wall time = 28.671669 seconds +FCI::matvec : Wall time = 28.471785 seconds +FCI::matvec : Wall time = 32.195459 seconds +FCI::matvec : Wall time = 30.811737 seconds +FCI::matvec : Wall time = 31.319474 seconds +FCI::matvec : Wall time = 29.883524 seconds +FCI::matvec : Wall time = 33.983282 seconds +FCI::matvec : Wall time = 31.923283 seconds +FCI::matvec : Wall time = 33.16397 seconds +FCI::matvec : Wall time = 35.894855 seconds +FCI::matvec : Wall time = 36.951377 seconds +FCI::matvec : Wall time = 42.931294 seconds +FCI::matvec : Wall time = 37.238469 seconds FCI::GSDavidson : Converged ground state energy = -107.328768898032 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 Info on DMRG::operators rm call to system: 0 @@ -2195,177 +2231,177 @@ 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 -102.928208770442 - Stats: nIt(DAVIDSON) = 20 -Energy at sites (7, 8) is -105.669401988728 - Stats: nIt(DAVIDSON) = 30 -Energy at sites (6, 7) is -106.994472392946 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (5, 6) is -106.994694909348 Stats: nIt(DAVIDSON) = 15 -Energy at sites (4, 5) is -106.996872429139 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (3, 4) is -106.99985866724 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (2, 3) is -107.00787214907 +Energy at sites (8, 9) is -95.2587616674538 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (7, 8) is -106.98416342962 + Stats: nIt(DAVIDSON) = 19 +Energy at sites (6, 7) is -106.99451842294 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (5, 6) is -106.995084435304 + Stats: nIt(DAVIDSON) = 20 +Energy at sites (4, 5) is -106.996762492555 + Stats: nIt(DAVIDSON) = 20 +Energy at sites (3, 4) is -106.999079682459 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (2, 3) is -107.007875682954 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.00787214907 +Energy at sites (1, 2) is -107.007875682954 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 0.196745 seconds -*** |--> S.join = 0.004138 seconds -*** |--> S.solve = 0.149867 seconds -*** |--> S.split = 0.001555 seconds -*** |--> Tensor update = 0.040601 seconds -*** |--> create = 0.020627 seconds -*** |--> destroy = 0.001201 seconds -*** |--> disk write = 0.009975 seconds -*** |--> disk read = 0.006368 seconds -*** |--> calc = 0.002393 seconds -*** Disk write bandwidth = 19.5779059465069 MB/s -*** Disk read bandwidth = 30.4972107086948 MB/s -*** Minimum energy = -107.00787214907 +*** Elapsed wall time = 5.675164 seconds +*** |--> S.join = 0.126929 seconds +*** |--> S.solve = 4.494222 seconds +*** |--> S.split = 0.389651 seconds +*** |--> Tensor update = 0.661694 seconds +*** |--> create = 0.05618 seconds +*** |--> destroy = 0.003253 seconds +*** |--> disk write = 0.01856 seconds +*** |--> disk read = 0.043913 seconds +*** |--> calc = 0.539632 seconds +*** Disk write bandwidth = 10.5220696021771 MB/s +*** Disk read bandwidth = 4.42252266510985 MB/s +*** Minimum energy = -107.007875682954 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.00787214907 +Energy at sites (0, 1) is -107.007875682954 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.00787214907 +Energy at sites (1, 2) is -107.007875682954 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.00787214907 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (3, 4) is -107.007873733186 +Energy at sites (2, 3) is -107.007875682954 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (3, 4) is -107.007876224829 Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -107.007876867983 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -107.007920329944 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.00792033104 +Energy at sites (4, 5) is -107.007879815825 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (5, 6) is -107.00792033835 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (6, 7) is -107.007920340906 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920331041 +Energy at sites (7, 8) is -107.007920340906 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.066381 seconds -*** |--> S.join = 0.004671 seconds -*** |--> S.solve = 0.018916 seconds -*** |--> S.split = 0.00151 seconds -*** |--> Tensor update = 0.041149 seconds -*** |--> create = 0.020334 seconds -*** |--> destroy = 0.001199 seconds -*** |--> disk write = 0.010587 seconds -*** |--> disk read = 0.006526 seconds -*** |--> calc = 0.002473 seconds -*** Disk write bandwidth = 18.3438403507102 MB/s -*** Disk read bandwidth = 29.9248562391061 MB/s -*** Minimum energy = -107.007920331041 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.007920331041 +*** Elapsed wall time = 2.741245 seconds +*** |--> S.join = 0.134834 seconds +*** |--> S.solve = 1.670421 seconds +*** |--> S.split = 0.365813 seconds +*** |--> Tensor update = 0.567956 seconds +*** |--> create = 0.061074 seconds +*** |--> destroy = 0.002685 seconds +*** |--> disk write = 0.01766 seconds +*** |--> disk read = 0.013594 seconds +*** |--> calc = 0.472827 seconds +*** Disk write bandwidth = 10.9969557074161 MB/s +*** Disk read bandwidth = 14.3658681636315 MB/s +*** Minimum energy = -107.007920340906 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.007920340906 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.007920331041 +Energy at sites (8, 9) is -107.007920340906 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920331041 +Energy at sites (7, 8) is -107.007920340906 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.00792033104 +Energy at sites (6, 7) is -107.007920340906 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.007920331041 +Energy at sites (5, 6) is -107.007920340906 Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.007920347827 +Energy at sites (4, 5) is -107.007920352103 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.007920394944 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.007920596607 +Energy at sites (3, 4) is -107.007920395302 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (2, 3) is -107.007920596592 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596607 +Energy at sites (1, 2) is -107.007920596592 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.148944 seconds -*** |--> S.join = 0.009404 seconds -*** |--> S.solve = 0.059266 seconds -*** |--> S.split = 0.018399 seconds -*** |--> Tensor update = 0.061734 seconds -*** |--> create = 0.020324 seconds -*** |--> destroy = 0.001208 seconds -*** |--> disk write = 0.0103 seconds -*** |--> disk read = 0.006471 seconds -*** |--> calc = 0.0234 seconds -*** Disk write bandwidth = 18.9601564870297 MB/s -*** Disk read bandwidth = 30.011781454639 MB/s -*** Minimum energy = -107.007920596607 +*** Elapsed wall time = 2.321432 seconds +*** |--> S.join = 0.109626 seconds +*** |--> S.solve = 1.162333 seconds +*** |--> S.split = 0.385651 seconds +*** |--> Tensor update = 0.661486 seconds +*** |--> create = 0.061295 seconds +*** |--> destroy = 0.002678 seconds +*** |--> disk write = 0.017143 seconds +*** |--> disk read = 0.032267 seconds +*** |--> calc = 0.547977 seconds +*** Disk write bandwidth = 11.3917990909646 MB/s +*** Disk read bandwidth = 6.01872618442895 MB/s +*** Minimum energy = -107.007920596592 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007920596607 +Energy at sites (0, 1) is -107.007920596592 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596607 +Energy at sites (1, 2) is -107.007920596592 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007920596607 +Energy at sites (2, 3) is -107.007920596592 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -107.007920596733 +Energy at sites (3, 4) is -107.007920596702 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.007920596762 +Energy at sites (4, 5) is -107.007920596727 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.007920599386 +Energy at sites (5, 6) is -107.007920599389 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920599386 +Energy at sites (6, 7) is -107.007920599389 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920599386 +Energy at sites (7, 8) is -107.007920599389 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.206782 seconds -*** |--> S.join = 0.017853 seconds -*** |--> S.solve = 0.084418 seconds -*** |--> S.split = 0.028139 seconds -*** |--> Tensor update = 0.076196 seconds -*** |--> create = 0.019425 seconds -*** |--> destroy = 0.0012 seconds -*** |--> disk write = 0.009853 seconds -*** |--> disk read = 0.006562 seconds -*** |--> calc = 0.039126 seconds -*** Disk write bandwidth = 19.7103661618765 MB/s -*** Disk read bandwidth = 29.7606845194158 MB/s -*** Minimum energy = -107.007920599386 +*** Elapsed wall time = 2.125203 seconds +*** |--> S.join = 0.111074 seconds +*** |--> S.solve = 1.006284 seconds +*** |--> S.split = 0.373982 seconds +*** |--> Tensor update = 0.631544 seconds +*** |--> create = 0.076263 seconds +*** |--> destroy = 0.002675 seconds +*** |--> disk write = 0.01742 seconds +*** |--> disk read = 0.014042 seconds +*** |--> calc = 0.520965 seconds +*** Disk write bandwidth = 11.1484637079775 MB/s +*** Disk read bandwidth = 13.9075353807439 MB/s +*** Minimum energy = -107.007920599389 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.68345303311435e-07 +*** Energy difference with respect to previous leftright sweep = 2.58483368043017e-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 = -107.007920599386 -*** Minimum energy encountered during the last sweep = -107.007920599386 +*** Minimum energy encountered during all instructions = -107.007920599389 +*** Minimum energy encountered during the last sweep = -107.007920599389 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.00792059939 +Energy at sites (8, 9) is -107.007920599392 Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -107.007920599393 +Energy at sites (7, 8) is -107.007920599395 Stats: nIt(DAVIDSON) = 14 -Energy at sites (6, 7) is -107.007920599397 +Energy at sites (6, 7) is -107.007920599399 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -107.007920599398 +Energy at sites (5, 6) is -107.007920599399 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.007920599398 +Energy at sites (4, 5) is -107.007920599399 Stats: nIt(DAVIDSON) = 12 -Energy at sites (3, 4) is -107.007920599399 - Stats: nIt(DAVIDSON) = 11 +Energy at sites (3, 4) is -107.0079205994 + Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920599438 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.187858 seconds -*** |--> S.join = 0.008894 seconds -*** |--> S.solve = 0.116242 seconds -*** |--> S.split = 0.011028 seconds -*** |--> Tensor update = 0.050933 seconds -*** |--> create = 0.020211 seconds -*** |--> destroy = 0.001218 seconds -*** |--> disk write = 0.010439 seconds -*** |--> disk read = 0.006458 seconds -*** |--> calc = 0.012576 seconds -*** Disk write bandwidth = 18.7076934396404 MB/s -*** Disk read bandwidth = 30.0721953844795 MB/s +*** Elapsed wall time = 4.256402 seconds +*** |--> S.join = 0.109181 seconds +*** |--> S.solve = 3.14148 seconds +*** |--> S.split = 0.370713 seconds +*** |--> Tensor update = 0.632354 seconds +*** |--> create = 0.078795 seconds +*** |--> destroy = 0.002646 seconds +*** |--> disk write = 0.017724 seconds +*** |--> disk read = 0.0133 seconds +*** |--> calc = 0.519769 seconds +*** Disk write bandwidth = 11.0183712376668 MB/s +*** Disk read bandwidth = 14.6019727663886 MB/s *** Minimum energy = -107.007920599438 *** Maximum discarded weight = 0 ****************************************************************** @@ -2377,7 +2413,7 @@ Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.007920599438 - Stats: nIt(DAVIDSON) = 10 + Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.007920599438 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.007920599439 @@ -2387,21 +2423,21 @@ Energy at sites (7, 8) is -107.007920599439 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.606224 seconds -*** |--> S.join = 0.020779 seconds -*** |--> S.solve = 0.400383 seconds -*** |--> S.split = 0.059508 seconds -*** |--> Tensor update = 0.125409 seconds -*** |--> create = 0.021477 seconds -*** |--> destroy = 0.001207 seconds -*** |--> disk write = 0.011337 seconds -*** |--> disk read = 0.008949 seconds -*** |--> calc = 0.082406 seconds -*** Disk write bandwidth = 17.1303023545002 MB/s -*** Disk read bandwidth = 21.822506628272 MB/s +*** Elapsed wall time = 3.289307 seconds +*** |--> S.join = 0.123472 seconds +*** |--> S.solve = 2.170293 seconds +*** |--> S.split = 0.353839 seconds +*** |--> Tensor update = 0.639315 seconds +*** |--> create = 0.069415 seconds +*** |--> destroy = 0.002621 seconds +*** |--> disk write = 0.017514 seconds +*** |--> disk read = 0.013387 seconds +*** |--> calc = 0.536234 seconds +*** Disk write bandwidth = 11.0886283997356 MB/s +*** Disk read bandwidth = 14.5880041694484 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.28928012499819e-11 +*** Energy difference with respect to previous leftright sweep = 4.94253526994726e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2416,45 +2452,45 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439 - NOON of irrep Ag = [ 1.99999761728792 , 1.9981745870282 , 1.99099529633723 ]. - NOON of irrep B2g = [ 0.999157310931431 ]. - NOON of irrep B3g = [ 0.999157311023387 ]. - NOON of irrep B1u = [ 1.99999763398139 , 1.9935677257779 , 0.0151843203989179 ]. - NOON of irrep B2u = [ 1.0018840985601 ]. - NOON of irrep B3u = [ 1.00188409867351 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624823041729e-05 , 0.0439795124285383 , 0.0191227051340549 , 0.710073263575564 , 0.710073262844291 , 0.000114194275867401 , 0.050198827816818 , 0.08476805712727 , 0.709393186046123 , 0.709393186743198 ]. - Idistance(0) = 1.96740724050557 - Idistance(1) = 7.24682976790029 - Idistance(2) = 34.6048709956534 + NOON of irrep Ag = [ 1.99999761728563 , 1.9981745871266 , 1.99099529632459 ]. + NOON of irrep B2g = [ 0.999157310945162 ]. + NOON of irrep B3g = [ 0.999157311008006 ]. + NOON of irrep B1u = [ 1.99999763398153 , 1.99356772577327 , 0.0151843203207146 ]. + NOON of irrep B2u = [ 1.00188409858033 ]. + NOON of irrep B3u = [ 1.00188409865417 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624945755115e-05 , 0.0439795128205363 , 0.0191227045928995 , 0.710073263452716 , 0.710073262987072 , 0.000114194275586803 , 0.050198827742495 , 0.0847680568248722 , 0.70939318618321 , 0.709393186627057 ]. + Idistance(0) = 1.96740723996405 + Idistance(1) = 7.24682976569045 + Idistance(2) = 34.6048709884543 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.461938 seconds -*** |--> MPS gauge change = 0.144509 seconds -*** |--> Diagram calc = 0.023788 seconds -*** |--> Tensor update = 0.291918 seconds -*** |--> create = 0.046365 seconds -*** |--> destroy = 0.002777 seconds -*** |--> disk write = 0.023102 seconds -*** |--> disk read = 0.01627 seconds -*** |--> calc = 0.20326 seconds -*** Disk write bandwidth = 17.7128636344729 MB/s -*** Disk read bandwidth = 25.1507422055067 MB/s +*** Elapsed wall time = 2.796566 seconds +*** |--> MPS gauge change = 0.855987 seconds +*** |--> Diagram calc = 0.155268 seconds +*** |--> Tensor update = 1.7823 seconds +*** |--> create = 0.156027 seconds +*** |--> destroy = 0.016011 seconds +*** |--> disk write = 0.247302 seconds +*** |--> disk read = 0.072389 seconds +*** |--> calc = 1.290049 seconds +*** Disk write bandwidth = 1.65466747411502 MB/s +*** Disk read bandwidth = 5.65282813250071 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 = 0.615507 seconds -FCI::matvec : Wall time = 0.495824 seconds -FCI::matvec : Wall time = 0.008744 seconds -FCI::matvec : Wall time = 0.010453 seconds -FCI::matvec : Wall time = 0.026457 seconds -FCI::matvec : Wall time = 0.008782 seconds -FCI::matvec : Wall time = 0.012716 seconds -FCI::matvec : Wall time = 0.010093 seconds -FCI::matvec : Wall time = 0.009445 seconds -FCI::matvec : Wall time = 0.017138 seconds -FCI::matvec : Wall time = 0.009462 seconds -FCI::matvec : Wall time = 0.008908 seconds +FCI::matvec : Wall time = 28.215954 seconds +FCI::matvec : Wall time = 28.291875 seconds +FCI::matvec : Wall time = 29.939799 seconds +FCI::matvec : Wall time = 29.87181 seconds +FCI::matvec : Wall time = 28.955924 seconds +FCI::matvec : Wall time = 28.920192 seconds +FCI::matvec : Wall time = 28.319233 seconds +FCI::matvec : Wall time = 24.231686 seconds +FCI::matvec : Wall time = 24.683317 seconds +FCI::matvec : Wall time = 24.311505 seconds +FCI::matvec : Wall time = 23.403634 seconds +FCI::matvec : Wall time = 24.38743 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 @@ -2476,311 +2512,311 @@ 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 -103.812912475171 - Stats: nIt(DAVIDSON) = 21 -Energy at sites (7, 8) is -105.824119688667 - Stats: nIt(DAVIDSON) = 75 -Energy at sites (6, 7) is -105.905850783066 - Stats: nIt(DAVIDSON) = 59 -Energy at sites (5, 6) is -105.943266467369 - Stats: nIt(DAVIDSON) = 48 -Energy at sites (4, 5) is -106.130565408434 - Stats: nIt(DAVIDSON) = 43 -Energy at sites (3, 4) is -106.140178314201 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.140178397715 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (8, 9) is -104.952459967771 + Stats: nIt(DAVIDSON) = 22 +Energy at sites (7, 8) is -105.791328281402 + Stats: nIt(DAVIDSON) = 60 +Energy at sites (6, 7) is -105.903740299286 + Stats: nIt(DAVIDSON) = 49 +Energy at sites (5, 6) is -105.904617775647 + Stats: nIt(DAVIDSON) = 41 +Energy at sites (4, 5) is -106.138010562847 + Stats: nIt(DAVIDSON) = 36 +Energy at sites (3, 4) is -106.181718099718 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (2, 3) is -106.181718154356 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.140178397714 +Energy at sites (1, 2) is -106.181718154356 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 0.411977 seconds -*** |--> S.join = 0.017609 seconds -*** |--> S.solve = 0.346978 seconds -*** |--> S.split = 0.003308 seconds -*** |--> Tensor update = 0.043361 seconds -*** |--> create = 0.020626 seconds -*** |--> destroy = 0.001236 seconds -*** |--> disk write = 0.010731 seconds -*** |--> disk read = 0.006358 seconds -*** |--> calc = 0.004371 seconds -*** Disk write bandwidth = 18.8107837580666 MB/s -*** Disk read bandwidth = 31.5783495571524 MB/s -*** Minimum energy = -106.140178397715 +*** Elapsed wall time = 7.443621 seconds +*** |--> S.join = 0.091827 seconds +*** |--> S.solve = 6.614183 seconds +*** |--> S.split = 0.278052 seconds +*** |--> Tensor update = 0.457757 seconds +*** |--> create = 0.037978 seconds +*** |--> destroy = 0.002546 seconds +*** |--> disk write = 0.0156 seconds +*** |--> disk read = 0.027602 seconds +*** |--> calc = 0.373915 seconds +*** Disk write bandwidth = 12.9396487505008 MB/s +*** Disk read bandwidth = 7.27393473242428 MB/s +*** Minimum energy = -106.181718154356 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.140178397715 +Energy at sites (0, 1) is -106.181718154356 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.140178397715 +Energy at sites (1, 2) is -106.181718154356 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.140178397715 +Energy at sites (2, 3) is -106.181718154356 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.140178397714 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -106.149664844873 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (5, 6) is -106.190759156381 +Energy at sites (3, 4) is -106.181718154356 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (4, 5) is -106.181791660925 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (5, 6) is -106.191446045095 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.190759156826 +Energy at sites (6, 7) is -106.191446045628 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.190759156826 +Energy at sites (7, 8) is -106.191446045628 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.212733 seconds -*** |--> S.join = 0.015473 seconds -*** |--> S.solve = 0.094838 seconds -*** |--> S.split = 0.027121 seconds -*** |--> Tensor update = 0.07479 seconds -*** |--> create = 0.020933 seconds -*** |--> destroy = 0.001181 seconds -*** |--> disk write = 0.010648 seconds -*** |--> disk read = 0.00638 seconds -*** |--> calc = 0.035613 seconds -*** Disk write bandwidth = 18.8556674008617 MB/s -*** Disk read bandwidth = 31.6392665372747 MB/s -*** Minimum energy = -106.190759156826 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 106.190759156826 +*** Elapsed wall time = 2.012841 seconds +*** |--> S.join = 0.09688 seconds +*** |--> S.solve = 1.149765 seconds +*** |--> S.split = 0.310309 seconds +*** |--> Tensor update = 0.45378 seconds +*** |--> create = 0.043951 seconds +*** |--> destroy = 0.002544 seconds +*** |--> disk write = 0.014718 seconds +*** |--> disk read = 0.019185 seconds +*** |--> calc = 0.373272 seconds +*** Disk write bandwidth = 13.64146939016 MB/s +*** Disk read bandwidth = 10.5216846759349 MB/s +*** Minimum energy = -106.191446045628 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 106.191446045628 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.190759156826 +Energy at sites (8, 9) is -106.191446045628 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.190759156826 +Energy at sites (7, 8) is -106.191446045628 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.190759156826 +Energy at sites (6, 7) is -106.191446045628 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -106.190759156826 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (4, 5) is -106.19110369204 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (3, 4) is -106.191456488102 +Energy at sites (5, 6) is -106.191446045628 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (4, 5) is -106.191460115978 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (3, 4) is -106.191465990908 Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -106.191456493968 +Energy at sites (2, 3) is -106.191465996017 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191456493969 +Energy at sites (1, 2) is -106.191465996017 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.147622 seconds -*** |--> S.join = 0.013484 seconds -*** |--> S.solve = 0.064556 seconds -*** |--> S.split = 0.018319 seconds -*** |--> Tensor update = 0.050536 seconds -*** |--> create = 0.020733 seconds -*** |--> destroy = 0.00122 seconds -*** |--> disk write = 0.010093 seconds -*** |--> disk read = 0.006343 seconds -*** |--> calc = 0.012113 seconds -*** Disk write bandwidth = 19.9998534140308 MB/s -*** Disk read bandwidth = 31.6530264045996 MB/s -*** Minimum energy = -106.191456493969 +*** Elapsed wall time = 2.142252 seconds +*** |--> S.join = 0.10724 seconds +*** |--> S.solve = 1.185449 seconds +*** |--> S.split = 0.30648 seconds +*** |--> Tensor update = 0.541204 seconds +*** |--> create = 0.038617 seconds +*** |--> destroy = 0.002484 seconds +*** |--> disk write = 0.015267 seconds +*** |--> disk read = 0.031337 seconds +*** |--> calc = 0.453384 seconds +*** Disk write bandwidth = 13.2218851449409 MB/s +*** Disk read bandwidth = 6.40696768945257 MB/s +*** Minimum energy = -106.191465996017 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191456493968 +Energy at sites (0, 1) is -106.191465996017 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191456493969 +Energy at sites (1, 2) is -106.191465996017 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191456493969 +Energy at sites (2, 3) is -106.191465996017 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.191456493969 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -106.191456683878 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (5, 6) is -106.191466189754 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.191466189803 +Energy at sites (3, 4) is -106.191465996017 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (4, 5) is -106.191465999693 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (5, 6) is -106.191466537075 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466189803 +Energy at sites (6, 7) is -106.191466537075 + Stats: nIt(DAVIDSON) = 1 +Energy at sites (7, 8) is -106.191466537075 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.074897 seconds -*** |--> S.join = 0.009707 seconds -*** |--> S.solve = 0.021001 seconds -*** |--> S.split = 0.001479 seconds -*** |--> Tensor update = 0.042037 seconds -*** |--> create = 0.020458 seconds -*** |--> destroy = 0.001196 seconds -*** |--> disk write = 0.010384 seconds -*** |--> disk read = 0.006422 seconds -*** |--> calc = 0.003554 seconds -*** Disk write bandwidth = 19.3350487754598 MB/s -*** Disk read bandwidth = 31.4323451429169 MB/s -*** Minimum energy = -106.191466189803 +*** Elapsed wall time = 1.932985 seconds +*** |--> S.join = 0.079338 seconds +*** |--> S.solve = 1.012398 seconds +*** |--> S.split = 0.311819 seconds +*** |--> Tensor update = 0.528788 seconds +*** |--> create = 0.057925 seconds +*** |--> destroy = 0.002768 seconds +*** |--> disk write = 0.017377 seconds +*** |--> disk read = 0.013091 seconds +*** |--> calc = 0.437514 seconds +*** Disk write bandwidth = 11.554074148839 MB/s +*** Disk read bandwidth = 15.4196410135064 MB/s +*** Minimum energy = -106.191466537075 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 0.000707032976862365 +*** Energy difference with respect to previous leftright sweep = 2.04914460937289e-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 = -106.191466189803 -*** Minimum energy encountered during the last sweep = -106.191466189803 +*** Minimum energy encountered during all instructions = -106.191466537075 +*** Minimum energy encountered during the last sweep = -106.191466537075 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -106.191466189804 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -106.191466189804 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (8, 9) is -106.191466537082 Stats: nIt(DAVIDSON) = 10 -Energy at sites (6, 7) is -106.191466189805 +Energy at sites (7, 8) is -106.191466537088 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (6, 7) is -106.191466537089 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -106.191466189808 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (4, 5) is -106.191466480574 +Energy at sites (5, 6) is -106.191466537092 Stats: nIt(DAVIDSON) = 17 -Energy at sites (3, 4) is -106.191466550346 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (2, 3) is -106.191466550357 +Energy at sites (4, 5) is -106.191466571286 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (3, 4) is -106.191466573146 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (2, 3) is -106.191466573147 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466550357 +Energy at sites (1, 2) is -106.191466573147 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.105143 seconds -*** |--> S.join = 0.01237 seconds -*** |--> S.solve = 0.049497 seconds -*** |--> S.split = 0.001654 seconds -*** |--> Tensor update = 0.04092 seconds -*** |--> create = 0.020502 seconds -*** |--> destroy = 0.001204 seconds -*** |--> disk write = 0.010102 seconds -*** |--> disk read = 0.006216 seconds -*** |--> calc = 0.002869 seconds -*** Disk write bandwidth = 19.9820352908149 MB/s -*** Disk read bandwidth = 32.2997339904078 MB/s -*** Minimum energy = -106.191466550357 +*** Elapsed wall time = 3.908249 seconds +*** |--> S.join = 0.09689 seconds +*** |--> S.solve = 2.969605 seconds +*** |--> S.split = 0.310688 seconds +*** |--> Tensor update = 0.525534 seconds +*** |--> create = 0.05417 seconds +*** |--> destroy = 0.00855 seconds +*** |--> disk write = 0.016356 seconds +*** |--> disk read = 0.01324 seconds +*** |--> calc = 0.433091 seconds +*** Disk write bandwidth = 12.3415578691497 MB/s +*** Disk read bandwidth = 15.1642859882458 MB/s +*** Minimum energy = -106.191466573147 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466550357 +Energy at sites (0, 1) is -106.191466573147 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466550357 +Energy at sites (1, 2) is -106.191466573147 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466550357 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -106.191466550357 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (4, 5) is -106.191466550386 - Stats: nIt(DAVIDSON) = 19 -Energy at sites (5, 6) is -106.191466574187 +Energy at sites (2, 3) is -106.191466573147 Stats: nIt(DAVIDSON) = 3 -Energy at sites (6, 7) is -106.191466574187 +Energy at sites (3, 4) is -106.191466573147 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (4, 5) is -106.191466573147 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (5, 6) is -106.191466575744 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (6, 7) is -106.191466575744 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466574187 +Energy at sites (7, 8) is -106.191466575744 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.142256 seconds -*** |--> S.join = 0.015892 seconds -*** |--> S.solve = 0.077709 seconds -*** |--> S.split = 0.006548 seconds -*** |--> Tensor update = 0.041416 seconds -*** |--> create = 0.020745 seconds -*** |--> destroy = 0.001173 seconds -*** |--> disk write = 0.010417 seconds -*** |--> disk read = 0.006391 seconds -*** |--> calc = 0.002662 seconds -*** Disk write bandwidth = 19.2737973009864 MB/s -*** Disk read bandwidth = 31.5848099683637 MB/s -*** Minimum energy = -106.191466574187 +*** Elapsed wall time = 2.456113 seconds +*** |--> S.join = 0.098867 seconds +*** |--> S.solve = 1.581882 seconds +*** |--> S.split = 0.290099 seconds +*** |--> Tensor update = 0.483189 seconds +*** |--> create = 0.034785 seconds +*** |--> destroy = 0.007982 seconds +*** |--> disk write = 0.01575 seconds +*** |--> disk read = 0.011869 seconds +*** |--> calc = 0.412693 seconds +*** Disk write bandwidth = 12.7476283482143 MB/s +*** Disk read bandwidth = 17.0072053675805 MB/s +*** Minimum energy = -106.191466575744 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 3.8438389537987e-07 +*** Energy difference with respect to previous leftright sweep = 3.86694409826305e-08 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191466574187 +Energy at sites (8, 9) is -106.191466575744 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466574187 +Energy at sites (7, 8) is -106.191466575744 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466574187 +Energy at sites (6, 7) is -106.191466575744 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -106.191466574187 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (4, 5) is -106.191466575592 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (3, 4) is -106.191466575826 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (2, 3) is -106.191466575826 +Energy at sites (5, 6) is -106.191466575744 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (4, 5) is -106.191466575927 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (3, 4) is -106.191466575935 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (2, 3) is -106.191466575935 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575826 +Energy at sites (1, 2) is -106.191466575935 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 0.138219 seconds -*** |--> S.join = 0.009802 seconds -*** |--> S.solve = 0.064908 seconds -*** |--> S.split = 0.010218 seconds -*** |--> Tensor update = 0.052904 seconds -*** |--> create = 0.020503 seconds -*** |--> destroy = 0.001204 seconds -*** |--> disk write = 0.010512 seconds -*** |--> disk read = 0.006383 seconds -*** |--> calc = 0.014277 seconds -*** Disk write bandwidth = 19.2026750863596 MB/s -*** Disk read bandwidth = 31.4546681003251 MB/s -*** Minimum energy = -106.191466575826 +*** Elapsed wall time = 2.620658 seconds +*** |--> S.join = 0.103794 seconds +*** |--> S.solve = 1.657833 seconds +*** |--> S.split = 0.302331 seconds +*** |--> Tensor update = 0.550866 seconds +*** |--> create = 0.051402 seconds +*** |--> destroy = 0.013077 seconds +*** |--> disk write = 0.017469 seconds +*** |--> disk read = 0.012979 seconds +*** |--> calc = 0.455818 seconds +*** Disk write bandwidth = 11.5552418860732 MB/s +*** Disk read bandwidth = 15.4692307946972 MB/s +*** Minimum energy = -106.191466575935 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466575826 +Energy at sites (0, 1) is -106.191466575935 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466575826 +Energy at sites (1, 2) is -106.191466575935 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466575826 +Energy at sites (2, 3) is -106.191466575935 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -106.191466575826 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -106.191466575826 - Stats: nIt(DAVIDSON) = 16 -Energy at sites (5, 6) is -106.191466575941 +Energy at sites (3, 4) is -106.191466575935 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (4, 5) is -106.191466575935 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (5, 6) is -106.191466575949 Stats: nIt(DAVIDSON) = 3 -Energy at sites (6, 7) is -106.191466575941 +Energy at sites (6, 7) is -106.191466575949 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575941 +Energy at sites (7, 8) is -106.191466575949 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 0.156039 seconds -*** |--> S.join = 0.014124 seconds -*** |--> S.solve = 0.070775 seconds -*** |--> S.split = 0.01067 seconds -*** |--> Tensor update = 0.059754 seconds -*** |--> create = 0.020548 seconds -*** |--> destroy = 0.001182 seconds -*** |--> disk write = 0.010342 seconds -*** |--> disk read = 0.006375 seconds -*** |--> calc = 0.021274 seconds -*** Disk write bandwidth = 19.4135705361028 MB/s -*** Disk read bandwidth = 31.6640816482843 MB/s -*** Minimum energy = -106.191466575941 +*** Elapsed wall time = 2.223469 seconds +*** |--> S.join = 0.100098 seconds +*** |--> S.solve = 1.345653 seconds +*** |--> S.split = 0.274025 seconds +*** |--> Tensor update = 0.497813 seconds +*** |--> create = 0.04972 seconds +*** |--> destroy = 0.011594 seconds +*** |--> disk write = 0.017378 seconds +*** |--> disk read = 0.013679 seconds +*** |--> calc = 0.405319 seconds +*** Disk write bandwidth = 11.5534092809515 MB/s +*** Disk read bandwidth = 14.7568185180066 MB/s +*** Minimum energy = -106.191466575949 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.75447212313884e-09 +*** Energy difference with respect to previous leftright sweep = 2.05034211830935e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191466575941 +Energy at sites (8, 9) is -106.191466575949 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575941 +Energy at sites (7, 8) is -106.191466575949 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466575941 +Energy at sites (6, 7) is -106.191466575949 Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -106.191466575941 +Energy at sites (5, 6) is -106.191466575949 Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -106.191466575949 - Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -106.19146657595 + Stats: nIt(DAVIDSON) = 11 Energy at sites (3, 4) is -106.19146657595 - Stats: nIt(DAVIDSON) = 4 + Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.19146657595 ****************************************************************** *** Information on left sweep 2 of instruction 1: -*** Elapsed wall time = 0.081521 seconds -*** |--> S.join = 0.012315 seconds -*** |--> S.solve = 0.026182 seconds -*** |--> S.split = 0.001553 seconds -*** |--> Tensor update = 0.041327 seconds -*** |--> create = 0.020658 seconds -*** |--> destroy = 0.001209 seconds -*** |--> disk write = 0.010406 seconds -*** |--> disk read = 0.006329 seconds -*** |--> calc = 0.002694 seconds -*** Disk write bandwidth = 19.3982818093227 MB/s -*** Disk read bandwidth = 31.7230441593261 MB/s +*** Elapsed wall time = 2.148629 seconds +*** |--> S.join = 0.072361 seconds +*** |--> S.solve = 1.30614 seconds +*** |--> S.split = 0.273825 seconds +*** |--> Tensor update = 0.490494 seconds +*** |--> create = 0.042987 seconds +*** |--> destroy = 0.007771 seconds +*** |--> disk write = 0.017415 seconds +*** |--> disk read = 0.021759 seconds +*** |--> calc = 0.400439 seconds +*** Disk write bandwidth = 11.5910720934719 MB/s +*** Disk read bandwidth = 9.22722305640769 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 ****************************************************************** @@ -2791,10 +2827,10 @@ Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.191466575949 - Stats: nIt(DAVIDSON) = 7 +Energy at sites (3, 4) is -106.19146657595 + Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -106.19146657595 - Stats: nIt(DAVIDSON) = 13 + Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.19146657595 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.19146657595 @@ -2802,21 +2838,21 @@ Energy at sites (7, 8) is -106.19146657595 ****************************************************************** *** Information on right sweep 2 of instruction 1: -*** Elapsed wall time = 0.108165 seconds -*** |--> S.join = 0.009391 seconds -*** |--> S.solve = 0.054231 seconds -*** |--> S.split = 0.001592 seconds -*** |--> Tensor update = 0.04281 seconds -*** |--> create = 0.020719 seconds -*** |--> destroy = 0.001176 seconds -*** |--> disk write = 0.01036 seconds -*** |--> disk read = 0.006355 seconds -*** |--> calc = 0.004171 seconds -*** Disk write bandwidth = 19.3798403942447 MB/s -*** Disk read bandwidth = 31.7637325740067 MB/s +*** Elapsed wall time = 1.875688 seconds +*** |--> S.join = 0.096369 seconds +*** |--> S.solve = 1.009873 seconds +*** |--> S.split = 0.290797 seconds +*** |--> Tensor update = 0.476489 seconds +*** |--> create = 0.036631 seconds +*** |--> destroy = 0.021828 seconds +*** |--> disk write = 0.017327 seconds +*** |--> disk read = 0.01703 seconds +*** |--> calc = 0.383556 seconds +*** Disk write bandwidth = 11.5874153912608 MB/s +*** Disk read bandwidth = 11.8531133592374 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 8.86757334228605e-12 +*** Energy difference with respect to previous leftright sweep = 1.16529008664656e-12 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2831,53 +2867,53 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595 - NOON of irrep Ag = [ 1.99999399659561 , 1.99366325459122 , 1.87190048374848 ]. - NOON of irrep B2g = [ 0.584814333549982 ]. - NOON of irrep B3g = [ 0.584814239687767 ]. - NOON of irrep B1u = [ 1.99999783389188 , 1.12096429419032 , 1.00219410516213 ]. - NOON of irrep B2u = [ 1.42082878074122 ]. - NOON of irrep B3u = [ 1.42082867784139 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128380132035e-05 , 0.0722109598641983 , 0.460791933836706 , 1.13075781895317 , 1.1307577850583 , 6.17502939613718e-05 , 0.977139017842358 , 0.73593649334178 , 1.12042720597609 , 1.1204272571058 ]. - Idistance(0) = 5.65234399435642 - Idistance(1) = 19.8382960715327 - Idistance(2) = 88.8195432683675 + NOON of irrep Ag = [ 1.9999939965972 , 1.99366325668878 , 1.87190049239997 ]. + NOON of irrep B2g = [ 0.584814263594495 ]. + NOON of irrep B3g = [ 0.584814300399846 ]. + NOON of irrep B1u = [ 1.99999783389177 , 1.12096429136869 , 1.00219410764809 ]. + NOON of irrep B2u = [ 1.42082870781593 ]. + NOON of irrep B3u = [ 1.42082874959523 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128179539995e-05 , 0.0722109527917881 , 0.460791906777376 , 1.13075778832226 , 1.1307577998692 , 6.17502956423929e-05 , 0.977139014267753 , 0.735936480468757 , 1.12042724336641 , 1.12042722250746 ]. + Idistance(0) = 5.65234392259142 + Idistance(1) = 19.8382955640273 + Idistance(2) = 88.8195398505119 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.237392 seconds -*** |--> MPS gauge change = 0.061088 seconds -*** |--> Diagram calc = 0.015757 seconds -*** |--> Tensor update = 0.159361 seconds -*** |--> create = 0.048087 seconds -*** |--> destroy = 0.00285 seconds -*** |--> disk write = 0.024056 seconds -*** |--> disk read = 0.015331 seconds -*** |--> calc = 0.0689030000000001 seconds -*** Disk write bandwidth = 17.5565510918859 MB/s -*** Disk read bandwidth = 27.5481307851025 MB/s +*** Elapsed wall time = 1.912121 seconds +*** |--> MPS gauge change = 0.621934 seconds +*** |--> Diagram calc = 0.126512 seconds +*** |--> Tensor update = 1.160859 seconds +*** |--> create = 0.116666 seconds +*** |--> destroy = 0.01149 seconds +*** |--> disk write = 0.041399 seconds +*** |--> disk read = 0.035766 seconds +*** |--> calc = 0.955059 seconds +*** Disk write bandwidth = 10.2017051877197 MB/s +*** Disk read bandwidth = 11.8084323957503 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 = 0.191242 seconds -FCI::matvec : Wall time = 0.017156 seconds -FCI::matvec : Wall time = 0.018557 seconds -FCI::matvec : Wall time = 0.010898 seconds -FCI::matvec : Wall time = 0.016361 seconds -FCI::matvec : Wall time = 0.009651 seconds -FCI::matvec : Wall time = 0.010621 seconds -FCI::matvec : Wall time = 0.008316 seconds -FCI::matvec : Wall time = 0.036565 seconds -FCI::matvec : Wall time = 0.00884 seconds -FCI::matvec : Wall time = 0.008795 seconds -FCI::matvec : Wall time = 0.009536 seconds -FCI::matvec : Wall time = 0.016677 seconds -FCI::matvec : Wall time = 0.010407 seconds -FCI::matvec : Wall time = 0.044515 seconds -FCI::matvec : Wall time = 0.025401 seconds -FCI::matvec : Wall time = 0.009441 seconds -FCI::matvec : Wall time = 0.009683 seconds +FCI::matvec : Wall time = 22.567977 seconds +FCI::matvec : Wall time = 22.647789 seconds +FCI::matvec : Wall time = 21.667747 seconds +FCI::matvec : Wall time = 21.327334 seconds +FCI::matvec : Wall time = 21.115649 seconds +FCI::matvec : Wall time = 21.407548 seconds +FCI::matvec : Wall time = 24.19162 seconds +FCI::matvec : Wall time = 28.683691 seconds +FCI::matvec : Wall time = 24.091629 seconds +FCI::matvec : Wall time = 22.843736 seconds +FCI::matvec : Wall time = 23.447476 seconds +FCI::matvec : Wall time = 29.716162 seconds +FCI::matvec : Wall time = 32.811681 seconds +FCI::matvec : Wall time = 22.939628 seconds +FCI::matvec : Wall time = 22.467506 seconds +FCI::matvec : Wall time = 22.835579 seconds +FCI::matvec : Wall time = 24.102946 seconds +FCI::matvec : Wall time = 29.090953 seconds FCI::GSDavidson : Converged ground state energy = -106.19146657595 -FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6 and intended S(S+1) = 6 +FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000001 and intended S(S+1) = 6 Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry @@ -2897,213 +2933,213 @@ 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) = 16 +Energy at sites (8, 9) is -103.512089021023 + Stats: nIt(DAVIDSON) = 28 +Energy at sites (7, 8) is -106.57585713123 + Stats: nIt(DAVIDSON) = 26 +Energy at sites (6, 7) is -106.778786607207 + Stats: nIt(DAVIDSON) = 92 +Energy at sites (5, 6) is -106.888796456491 + Stats: nIt(DAVIDSON) = 31 +Energy at sites (4, 5) is -107.341219879829 Stats: nIt(DAVIDSON) = 19 -Energy at sites (8, 9) is -103.731053761309 - Stats: nIt(DAVIDSON) = 36 -Energy at sites (7, 8) is -106.57704598758 - Stats: nIt(DAVIDSON) = 30 -Energy at sites (6, 7) is -106.779995117704 - Stats: nIt(DAVIDSON) = 58 -Energy at sites (5, 6) is -107.328795674402 - Stats: nIt(DAVIDSON) = 29 -Energy at sites (4, 5) is -107.346150211088 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (3, 4) is -107.346227604037 +Energy at sites (3, 4) is -107.34135810204 Stats: nIt(DAVIDSON) = 9 -Energy at sites (2, 3) is -107.346228473972 +Energy at sites (2, 3) is -107.341359104859 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346228473972 +Energy at sites (1, 2) is -107.341359104859 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 0.711951 seconds -*** |--> S.join = 0.016874 seconds -*** |--> S.solve = 0.596484 seconds -*** |--> S.split = 0.018148 seconds -*** |--> Tensor update = 0.079666 seconds -*** |--> create = 0.024915 seconds -*** |--> destroy = 0.001267 seconds -*** |--> disk write = 0.011919 seconds -*** |--> disk read = 0.006695 seconds -*** |--> calc = 0.034833 seconds -*** Disk write bandwidth = 68.6959158565106 MB/s -*** Disk read bandwidth = 121.756931843377 MB/s -*** Minimum energy = -107.346228473972 +*** Elapsed wall time = 10.904451 seconds +*** |--> S.join = 0.105262 seconds +*** |--> S.solve = 7.470905 seconds +*** |--> S.split = 0.321356 seconds +*** |--> Tensor update = 3.00506 seconds +*** |--> create = 0.04132 seconds +*** |--> destroy = 0.011489 seconds +*** |--> disk write = 2.471312 seconds +*** |--> disk read = 0.022206 seconds +*** |--> calc = 0.458599 seconds +*** Disk write bandwidth = 0.331316572368746 MB/s +*** Disk read bandwidth = 36.7091172967399 MB/s +*** Minimum energy = -107.341359104859 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346228473972 +Energy at sites (0, 1) is -107.341359104859 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346228473972 +Energy at sites (1, 2) is -107.341359104859 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346228473972 +Energy at sites (2, 3) is -107.341359104859 Stats: nIt(DAVIDSON) = 3 -Energy at sites (3, 4) is -107.346228474607 +Energy at sites (3, 4) is -107.34135910608 Stats: nIt(DAVIDSON) = 4 -Energy at sites (4, 5) is -107.346228526185 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (5, 6) is -107.346320955458 +Energy at sites (4, 5) is -107.341359166341 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (5, 6) is -107.3463066142 Stats: nIt(DAVIDSON) = 5 -Energy at sites (6, 7) is -107.346325721473 +Energy at sites (6, 7) is -107.346311158209 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346325721473 +Energy at sites (7, 8) is -107.346311158209 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.1773 seconds -*** |--> S.join = 0.014607 seconds -*** |--> S.solve = 0.086671 seconds -*** |--> S.split = 0.016594 seconds -*** |--> Tensor update = 0.059197 seconds -*** |--> create = 0.025304 seconds -*** |--> destroy = 0.001267 seconds -*** |--> disk write = 0.011625 seconds -*** |--> disk read = 0.006635 seconds -*** |--> calc = 0.014336 seconds -*** Disk write bandwidth = 70.1215190272177 MB/s -*** Disk read bandwidth = 123.404162938018 MB/s -*** Minimum energy = -107.346325721473 +*** Elapsed wall time = 6.02209 seconds +*** |--> S.join = 0.108687 seconds +*** |--> S.solve = 1.543151 seconds +*** |--> S.split = 0.323962 seconds +*** |--> Tensor update = 4.044871 seconds +*** |--> create = 0.065708 seconds +*** |--> destroy = 0.002637 seconds +*** |--> disk write = 1.002001 seconds +*** |--> disk read = 2.544547 seconds +*** |--> calc = 0.429847 seconds +*** Disk write bandwidth = 0.81353477560542 MB/s +*** Disk read bandwidth = 0.321780898955197 MB/s +*** Minimum energy = -107.346311158209 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.346325721473 +*** Energy difference with respect to previous leftright sweep = 107.346311158209 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.346325721473 +Energy at sites (8, 9) is -107.346311158209 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346325721473 +Energy at sites (7, 8) is -107.346311158209 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346325721473 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (5, 6) is -107.346325725827 +Energy at sites (6, 7) is -107.346311158209 Stats: nIt(DAVIDSON) = 5 -Energy at sites (4, 5) is -107.346326093768 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.346326106756 +Energy at sites (5, 6) is -107.346311160772 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (4, 5) is -107.34632557342 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (3, 4) is -107.346325987424 Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.346326106769 +Energy at sites (2, 3) is -107.346325987773 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326106769 +Energy at sites (1, 2) is -107.346325987773 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.331417 seconds -*** |--> S.join = 0.012433 seconds -*** |--> S.solve = 0.166859 seconds -*** |--> S.split = 0.044411 seconds -*** |--> Tensor update = 0.107562 seconds -*** |--> create = 0.025031 seconds -*** |--> destroy = 0.00133 seconds -*** |--> disk write = 0.012108 seconds -*** |--> disk read = 0.00653 seconds -*** |--> calc = 0.06253 seconds -*** Disk write bandwidth = 67.6236059707425 MB/s -*** Disk read bandwidth = 124.833485251364 MB/s -*** Minimum energy = -107.346326106769 +*** Elapsed wall time = 2.548049 seconds +*** |--> S.join = 0.081666 seconds +*** |--> S.solve = 1.456601 seconds +*** |--> S.split = 0.3257 seconds +*** |--> Tensor update = 0.678793 seconds +*** |--> create = 0.040306 seconds +*** |--> destroy = 0.003151 seconds +*** |--> disk write = 0.068749 seconds +*** |--> disk read = 0.051579 seconds +*** |--> calc = 0.51484 seconds +*** Disk write bandwidth = 11.9097968129536 MB/s +*** Disk read bandwidth = 15.8041578683458 MB/s +*** Minimum energy = -107.346325987773 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326106769 +Energy at sites (0, 1) is -107.346325987773 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326106769 +Energy at sites (1, 2) is -107.346325987773 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326106769 +Energy at sites (2, 3) is -107.346325987773 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.346326106769 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (4, 5) is -107.346326106769 +Energy at sites (3, 4) is -107.346325987773 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (4, 5) is -107.346325988073 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (5, 6) is -107.346326108726 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.346326114808 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346326114808 +Energy at sites (6, 7) is -107.346326113077 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326114808 +Energy at sites (7, 8) is -107.346326113077 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.40245 seconds -*** |--> S.join = 0.018654 seconds -*** |--> S.solve = 0.176793 seconds -*** |--> S.split = 0.070031 seconds -*** |--> Tensor update = 0.136477 seconds -*** |--> create = 0.025379 seconds -*** |--> destroy = 0.001304 seconds -*** |--> disk write = 0.011925 seconds -*** |--> disk read = 0.006689 seconds -*** |--> calc = 0.091156 seconds -*** Disk write bandwidth = 68.3574556554639 MB/s -*** Disk read bandwidth = 122.407926609919 MB/s -*** Minimum energy = -107.346326114808 +*** Elapsed wall time = 2.125087 seconds +*** |--> S.join = 0.14143 seconds +*** |--> S.solve = 1.065607 seconds +*** |--> S.split = 0.34271 seconds +*** |--> Tensor update = 0.573677 seconds +*** |--> create = 0.05192 seconds +*** |--> destroy = 0.002466 seconds +*** |--> disk write = 0.081074 seconds +*** |--> disk read = 0.01193 seconds +*** |--> calc = 0.426183 seconds +*** Disk write bandwidth = 10.0545508879716 MB/s +*** Disk read bandwidth = 68.6325751126362 MB/s +*** Minimum energy = -107.346326113077 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 3.93334460113692e-07 +*** Energy difference with respect to previous leftright sweep = 1.49548681918077e-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 = -107.346326114808 -*** Minimum energy encountered during the last sweep = -107.346326114808 +*** Minimum energy encountered during all instructions = -107.346326113077 +*** Minimum energy encountered during the last sweep = -107.346326113077 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.34632611481 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -107.346326114823 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (6, 7) is -107.346326114832 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (5, 6) is -107.346326114835 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (4, 5) is -107.346326115019 +Energy at sites (8, 9) is -107.346326113078 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (7, 8) is -107.346326113079 Stats: nIt(DAVIDSON) = 12 -Energy at sites (3, 4) is -107.34632611502 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (2, 3) is -107.34632611502 +Energy at sites (6, 7) is -107.34632611308 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (5, 6) is -107.346326113094 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (4, 5) is -107.346326114946 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (3, 4) is -107.346326114983 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (2, 3) is -107.346326114985 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.34632611502 +Energy at sites (1, 2) is -107.346326114985 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 0.896502 seconds -*** |--> S.join = 0.018285 seconds -*** |--> S.solve = 0.671134 seconds -*** |--> S.split = 0.070254 seconds -*** |--> Tensor update = 0.136476 seconds -*** |--> create = 0.025024 seconds -*** |--> destroy = 0.001251 seconds -*** |--> disk write = 0.012928 seconds -*** |--> disk read = 0.006678 seconds -*** |--> calc = 0.090562 seconds -*** Disk write bandwidth = 63.3343611613359 MB/s -*** Disk read bandwidth = 122.066885099043 MB/s -*** Minimum energy = -107.34632611502 +*** Elapsed wall time = 4.574362 seconds +*** |--> S.join = 0.141807 seconds +*** |--> S.solve = 3.438007 seconds +*** |--> S.split = 0.358676 seconds +*** |--> Tensor update = 0.629537 seconds +*** |--> create = 0.063063 seconds +*** |--> destroy = 0.015289 seconds +*** |--> disk write = 0.019895 seconds +*** |--> disk read = 0.034496 seconds +*** |--> calc = 0.496654 seconds +*** Disk write bandwidth = 41.1553968883513 MB/s +*** Disk read bandwidth = 23.6306429351637 MB/s +*** Minimum energy = -107.346326114985 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.34632611502 +Energy at sites (0, 1) is -107.346326114985 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.34632611502 +Energy at sites (1, 2) is -107.346326114985 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.34632611502 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.34632611502 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.34632611502 - Stats: nIt(DAVIDSON) = 15 -Energy at sites (5, 6) is -107.346326115024 - Stats: nIt(DAVIDSON) = 5 +Energy at sites (2, 3) is -107.346326114985 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (3, 4) is -107.346326114985 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (4, 5) is -107.346326114985 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (5, 6) is -107.346326115023 + Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115024 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.591792 seconds -*** |--> S.join = 0.018613 seconds -*** |--> S.solve = 0.36635 seconds -*** |--> S.split = 0.069242 seconds -*** |--> Tensor update = 0.13677 seconds -*** |--> create = 0.025444 seconds -*** |--> destroy = 0.001236 seconds -*** |--> disk write = 0.012689 seconds -*** |--> disk read = 0.006759 seconds -*** |--> calc = 0.090609 seconds -*** Disk write bandwidth = 64.2416785161483 MB/s -*** Disk read bandwidth = 121.140201375019 MB/s +*** Elapsed wall time = 3.084057 seconds +*** |--> S.join = 0.100747 seconds +*** |--> S.solve = 2.076877 seconds +*** |--> S.split = 0.307934 seconds +*** |--> Tensor update = 0.59735 seconds +*** |--> create = 0.065282 seconds +*** |--> destroy = 0.006565 seconds +*** |--> disk write = 0.018686 seconds +*** |--> disk read = 0.030444 seconds +*** |--> calc = 0.47624 seconds +*** Disk write bandwidth = 43.6242458895112 MB/s +*** Disk read bandwidth = 26.8948436832791 MB/s *** Minimum energy = -107.346326115024 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.16431317312527e-10 +*** Energy difference with respect to previous leftright sweep = 1.94626181837521e-09 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346326115024 @@ -3111,30 +3147,30 @@ Energy at sites (7, 8) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326115024 - Stats: nIt(DAVIDSON) = 5 + Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -107.346326115024 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -107.346326115024 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (3, 4) is -107.346326115024 - Stats: nIt(DAVIDSON) = 3 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (4, 5) is -107.346326115025 + Stats: nIt(DAVIDSON) = 10 +Energy at sites (3, 4) is -107.346326115025 + Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115025 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 0.539054 seconds -*** |--> S.join = 0.019961 seconds -*** |--> S.solve = 0.311377 seconds -*** |--> S.split = 0.069979 seconds -*** |--> Tensor update = 0.136927 seconds -*** |--> create = 0.025009 seconds -*** |--> destroy = 0.001255 seconds -*** |--> disk write = 0.0118 seconds -*** |--> disk read = 0.006688 seconds -*** |--> calc = 0.092143 seconds -*** Disk write bandwidth = 69.3886967028602 MB/s -*** Disk read bandwidth = 121.884368823476 MB/s +*** Elapsed wall time = 5.06329 seconds +*** |--> S.join = 0.122591 seconds +*** |--> S.solve = 2.143915 seconds +*** |--> S.split = 0.329486 seconds +*** |--> Tensor update = 2.454724 seconds +*** |--> create = 0.043813 seconds +*** |--> destroy = 0.002709 seconds +*** |--> disk write = 1.81734 seconds +*** |--> disk read = 0.029296 seconds +*** |--> calc = 0.561438 seconds +*** Disk write bandwidth = 0.4505412421967 MB/s +*** Disk read bandwidth = 27.8250497914871 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 ****************************************************************** @@ -3144,33 +3180,33 @@ Energy at sites (1, 2) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115025 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.346326115025 Stats: nIt(DAVIDSON) = 2 +Energy at sites (3, 4) is -107.346326115025 + Stats: nIt(DAVIDSON) = 4 Energy at sites (4, 5) is -107.346326115024 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 12 Energy at sites (5, 6) is -107.346326115025 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (6, 7) is -107.346326115024 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (6, 7) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326115024 +Energy at sites (7, 8) is -107.346326115025 ****************************************************************** *** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 0.483644 seconds -*** |--> S.join = 0.019223 seconds -*** |--> S.solve = 0.246899 seconds -*** |--> S.split = 0.068999 seconds -*** |--> Tensor update = 0.147451 seconds -*** |--> create = 0.030113 seconds -*** |--> destroy = 0.001625 seconds -*** |--> disk write = 0.016531 seconds -*** |--> disk read = 0.0093 seconds -*** |--> calc = 0.089847 seconds -*** Disk write bandwidth = 49.3111523012163 MB/s -*** Disk read bandwidth = 88.0415721606183 MB/s +*** Elapsed wall time = 2.721847 seconds +*** |--> S.join = 0.131978 seconds +*** |--> S.solve = 1.567029 seconds +*** |--> S.split = 0.393187 seconds +*** |--> Tensor update = 0.625098 seconds +*** |--> create = 0.059386 seconds +*** |--> destroy = 0.01102 seconds +*** |--> disk write = 0.031995 seconds +*** |--> disk read = 0.025102 seconds +*** |--> calc = 0.497455 seconds +*** Disk write bandwidth = 25.4778139925428 MB/s +*** Disk read bandwidth = 32.6183818458191 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.4210854715202e-13 +*** Energy difference with respect to previous leftright sweep = 1.05160324892495e-12 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3184,52 +3220,52 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115024 - NOON of irrep Ag = [ 1.99999018535368 , 1.99292175274365 , 1.03221285686225 ]. - NOON of irrep B2g = [ 1.02415310257999 ]. - NOON of irrep B3g = [ 0.0896934287705012 ]. - NOON of irrep B1u = [ 1.99999295584654 , 1.95039154287418 , 0.0159495095143108 ]. - NOON of irrep B2u = [ 1.91962159297414 ]. - NOON of irrep B3u = [ 1.97507307248076 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322992340793 , 0.0447141468800887 , 0.838966994116078 , 0.790658960297309 , 0.317368561122179 , 9.24989500995298e-05 , 0.227634117196125 , 0.0907424583963485 , 0.299652804826457 , 0.133979297012085 ]. - Idistance(0) = 1.57215407891275 - Idistance(1) = 5.15805448307891 - Idistance(2) = 21.9866409899246 + Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115025 + NOON of irrep Ag = [ 1.99999018535339 , 1.99292175252107 , 1.0322128574094 ]. + NOON of irrep B2g = [ 1.02415310249246 ]. + NOON of irrep B3g = [ 0.0896934287355809 ]. + NOON of irrep B1u = [ 1.99999295584652 , 1.95039154273229 , 0.0159495094942924 ]. + NOON of irrep B2u = [ 1.91962159300001 ]. + NOON of irrep B3u = [ 1.975073072415 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322996772925 , 0.0447141481784548 , 0.838966992833704 , 0.790658960979689 , 0.317368560883403 , 9.24989502774284e-05 , 0.227634117701372 , 0.0907424582105889 , 0.299652804611376 , 0.133979297299467 ]. + Idistance(0) = 1.57215407837894 + Idistance(1) = 5.15805448352372 + Idistance(2) = 21.9866410081689 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.531064 seconds -*** |--> MPS gauge change = 0.1487 seconds -*** |--> Diagram calc = 0.028152 seconds -*** |--> Tensor update = 0.350994 seconds -*** |--> create = 0.071521 seconds -*** |--> destroy = 0.003883 seconds -*** |--> disk write = 0.036168 seconds -*** |--> disk read = 0.021955 seconds -*** |--> calc = 0.216941 seconds -*** Disk write bandwidth = 45.9208632960464 MB/s -*** Disk read bandwidth = 75.6486351032296 MB/s +*** Elapsed wall time = 2.304269 seconds +*** |--> MPS gauge change = 0.704314 seconds +*** |--> Diagram calc = 0.191583 seconds +*** |--> Tensor update = 1.406636 seconds +*** |--> create = 0.113835 seconds +*** |--> destroy = 0.00809499999999999 seconds +*** |--> disk write = 0.07526 seconds +*** |--> disk read = 0.053697 seconds +*** |--> calc = 1.155204 seconds +*** Disk write bandwidth = 22.068373421358 MB/s +*** Disk read bandwidth = 30.9303272751067 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1182 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.06982421875 MB memory. -FCI::matvec : Wall time = 1.890493 seconds -FCI::matvec : Wall time = 0.483489 seconds -FCI::matvec : Wall time = 0.020847 seconds -FCI::matvec : Wall time = 0.018958 seconds -FCI::matvec : Wall time = 1.811191 seconds -FCI::matvec : Wall time = 1.597703 seconds -FCI::matvec : Wall time = 0.160534 seconds -FCI::matvec : Wall time = 0.016682 seconds -FCI::matvec : Wall time = 0.016222 seconds -FCI::matvec : Wall time = 0.013442 seconds -FCI::matvec : Wall time = 0.015188 seconds -FCI::matvec : Wall time = 0.93617 seconds -FCI::matvec : Wall time = 0.018456 seconds -FCI::matvec : Wall time = 0.086188 seconds -FCI::matvec : Wall time = 0.014384 seconds -FCI::matvec : Wall time = 0.017921 seconds -FCI::matvec : Wall time = 0.017875 seconds -FCI::matvec : Wall time = 4.04447 seconds +FCI::matvec : Wall time = 31.583846 seconds +FCI::matvec : Wall time = 31.951569 seconds +FCI::matvec : Wall time = 38.693371 seconds +FCI::matvec : Wall time = 36.539878 seconds +FCI::matvec : Wall time = 35.679571 seconds +FCI::matvec : Wall time = 35.219542 seconds +FCI::matvec : Wall time = 36.691128 seconds +FCI::matvec : Wall time = 36.415553 seconds +FCI::matvec : Wall time = 41.775501 seconds +FCI::matvec : Wall time = 37.155388 seconds +FCI::matvec : Wall time = 38.419165 seconds +FCI::matvec : Wall time = 32.863435 seconds +FCI::matvec : Wall time = 30.951734 seconds +FCI::matvec : Wall time = 29.731556 seconds +FCI::matvec : Wall time = 29.79957 seconds +FCI::matvec : Wall time = 29.735673 seconds +FCI::matvec : Wall time = 29.403451 seconds +FCI::matvec : Wall time = 30.811483 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 @@ -3251,177 +3287,177 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 15 -Energy at sites (8, 9) is -102.729725064371 - Stats: nIt(DAVIDSON) = 24 -Energy at sites (7, 8) is -106.246642585024 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (8, 9) is -99.1109357725771 + Stats: nIt(DAVIDSON) = 32 +Energy at sites (7, 8) is -106.339758894879 + Stats: nIt(DAVIDSON) = 60 +Energy at sites (6, 7) is -106.953343565592 + Stats: nIt(DAVIDSON) = 61 +Energy at sites (5, 6) is -107.181561330994 Stats: nIt(DAVIDSON) = 45 -Energy at sites (6, 7) is -106.950037204934 - Stats: nIt(DAVIDSON) = 56 -Energy at sites (5, 6) is -107.181751036644 - Stats: nIt(DAVIDSON) = 48 -Energy at sites (4, 5) is -107.190983890016 - Stats: nIt(DAVIDSON) = 42 -Energy at sites (3, 4) is -107.199436065274 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (2, 3) is -107.199460312087 +Energy at sites (4, 5) is -107.189017295193 + Stats: nIt(DAVIDSON) = 32 +Energy at sites (3, 4) is -107.199448567231 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (2, 3) is -107.199471178953 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199460312087 +Energy at sites (1, 2) is -107.199471178953 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 2.100175 seconds -*** |--> S.join = 0.018211 seconds -*** |--> S.solve = 1.870569 seconds -*** |--> S.split = 0.069426 seconds -*** |--> Tensor update = 0.141083 seconds -*** |--> create = 0.026406 seconds -*** |--> destroy = 0.001355 seconds -*** |--> disk write = 0.014451 seconds -*** |--> disk read = 0.008056 seconds -*** |--> calc = 0.090778 seconds -*** Disk write bandwidth = 58.2090439445692 MB/s -*** Disk read bandwidth = 103.966600253305 MB/s -*** Minimum energy = -107.199460312087 +*** Elapsed wall time = 9.153988 seconds +*** |--> S.join = 0.100386 seconds +*** |--> S.solve = 8.217122 seconds +*** |--> S.split = 0.315258 seconds +*** |--> Tensor update = 0.515487 seconds +*** |--> create = 0.038539 seconds +*** |--> destroy = 0.019026 seconds +*** |--> disk write = 0.024577 seconds +*** |--> disk read = 0.012994 seconds +*** |--> calc = 0.420097 seconds +*** Disk write bandwidth = 34.2262641511563 MB/s +*** Disk read bandwidth = 64.4570518424369 MB/s +*** Minimum energy = -107.199471178953 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199460312087 +Energy at sites (0, 1) is -107.199471178953 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199460312087 +Energy at sites (1, 2) is -107.199471178953 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199460312087 +Energy at sites (2, 3) is -107.199471178953 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.199460317628 +Energy at sites (3, 4) is -107.199471183895 Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.199474209656 - Stats: nIt(DAVIDSON) = 19 -Energy at sites (5, 6) is -107.199603500661 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (6, 7) is -107.199617010817 +Energy at sites (4, 5) is -107.199482494816 + Stats: nIt(DAVIDSON) = 15 +Energy at sites (5, 6) is -107.199616135847 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (6, 7) is -107.1996171061 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617010817 +Energy at sites (7, 8) is -107.1996171061 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 0.681686 seconds -*** |--> S.join = 0.018791 seconds -*** |--> S.solve = 0.446603 seconds -*** |--> S.split = 0.069253 seconds -*** |--> Tensor update = 0.146143 seconds -*** |--> create = 0.029011 seconds -*** |--> destroy = 0.001185 seconds -*** |--> disk write = 0.016741 seconds -*** |--> disk read = 0.008539 seconds -*** |--> calc = 0.090633 seconds -*** Disk write bandwidth = 50.0301613786886 MB/s -*** Disk read bandwidth = 98.5102346929346 MB/s -*** Minimum energy = -107.199617010817 +*** Elapsed wall time = 2.981125 seconds +*** |--> S.join = 0.121744 seconds +*** |--> S.solve = 1.951779 seconds +*** |--> S.split = 0.356541 seconds +*** |--> Tensor update = 0.544175 seconds +*** |--> create = 0.037388 seconds +*** |--> destroy = 0.01241 seconds +*** |--> disk write = 0.020914 seconds +*** |--> disk read = 0.021485 seconds +*** |--> calc = 0.451834 seconds +*** Disk write bandwidth = 40.0475725179605 MB/s +*** Disk read bandwidth = 39.1519150124724 MB/s +*** Minimum energy = -107.1996171061 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.199617010817 +*** Energy difference with respect to previous leftright sweep = 107.1996171061 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.199617010817 +Energy at sites (8, 9) is -107.1996171061 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617010817 +Energy at sites (7, 8) is -107.1996171061 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617010817 - Stats: nIt(DAVIDSON) = 14 -Energy at sites (5, 6) is -107.199617175251 +Energy at sites (6, 7) is -107.1996171061 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (5, 6) is -107.199617107632 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.199617356386 +Energy at sites (4, 5) is -107.199617364711 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.199617418947 +Energy at sites (3, 4) is -107.199617420032 Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.199617420793 +Energy at sites (2, 3) is -107.199617420639 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617420793 +Energy at sites (1, 2) is -107.199617420639 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 0.573222 seconds -*** |--> S.join = 0.018697 seconds -*** |--> S.solve = 0.344401 seconds -*** |--> S.split = 0.069826 seconds -*** |--> Tensor update = 0.139867 seconds -*** |--> create = 0.027562 seconds -*** |--> destroy = 0.001302 seconds -*** |--> disk write = 0.012828 seconds -*** |--> disk read = 0.007514 seconds -*** |--> calc = 0.090622 seconds -*** Disk write bandwidth = 65.5736587186599 MB/s -*** Disk read bandwidth = 111.465921165907 MB/s -*** Minimum energy = -107.199617420793 +*** Elapsed wall time = 2.018267 seconds +*** |--> S.join = 0.093987 seconds +*** |--> S.solve = 1.183066 seconds +*** |--> S.split = 0.269233 seconds +*** |--> Tensor update = 0.469241 seconds +*** |--> create = 0.037088 seconds +*** |--> destroy = 0.007519 seconds +*** |--> disk write = 0.028375 seconds +*** |--> disk read = 0.020766 seconds +*** |--> calc = 0.375367 seconds +*** Disk write bandwidth = 29.6450711556993 MB/s +*** Disk read bandwidth = 40.3329929519708 MB/s +*** Minimum energy = -107.199617420639 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199617420793 +Energy at sites (0, 1) is -107.199617420639 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617420793 +Energy at sites (1, 2) is -107.199617420639 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199617420793 +Energy at sites (2, 3) is -107.199617420639 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.199617420793 +Energy at sites (3, 4) is -107.199617420639 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.199617420857 +Energy at sites (4, 5) is -107.199617420678 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.199617421724 +Energy at sites (5, 6) is -107.199617421821 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.199617421891 +Energy at sites (6, 7) is -107.199617421885 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617421891 +Energy at sites (7, 8) is -107.199617421885 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 0.43337 seconds -*** |--> S.join = 0.018641 seconds -*** |--> S.solve = 0.192151 seconds -*** |--> S.split = 0.072102 seconds -*** |--> Tensor update = 0.149446 seconds -*** |--> create = 0.028709 seconds -*** |--> destroy = 0.001418 seconds -*** |--> disk write = 0.019047 seconds -*** |--> disk read = 0.009502 seconds -*** |--> calc = 0.090738 seconds -*** Disk write bandwidth = 43.9730630356815 MB/s -*** Disk read bandwidth = 88.5265095814532 MB/s -*** Minimum energy = -107.199617421891 +*** Elapsed wall time = 1.658464 seconds +*** |--> S.join = 0.077984 seconds +*** |--> S.solve = 0.782689 seconds +*** |--> S.split = 0.281549 seconds +*** |--> Tensor update = 0.510077 seconds +*** |--> create = 0.060617 seconds +*** |--> destroy = 0.003265 seconds +*** |--> disk write = 0.028569 seconds +*** |--> disk read = 0.013163 seconds +*** |--> calc = 0.404337 seconds +*** Disk write bandwidth = 29.3169145451582 MB/s +*** Disk read bandwidth = 63.9048008845224 MB/s +*** Minimum energy = -107.199617421885 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 4.11073244777072e-07 +*** Energy difference with respect to previous leftright sweep = 3.15785285920356e-07 ****************************************************************** *** 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 = -107.199617421891 -*** Minimum energy encountered during the last sweep = -107.199617421891 +*** Minimum energy encountered during all instructions = -107.199617421885 +*** Minimum energy encountered during the last sweep = -107.199617421885 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.199617421899 +Energy at sites (8, 9) is -107.199617421894 Stats: nIt(DAVIDSON) = 11 -Energy at sites (7, 8) is -107.199617421907 +Energy at sites (7, 8) is -107.199617421902 Stats: nIt(DAVIDSON) = 17 -Energy at sites (6, 7) is -107.199617421911 - Stats: nIt(DAVIDSON) = 22 -Energy at sites (5, 6) is -107.199617421913 +Energy at sites (6, 7) is -107.199617421907 + Stats: nIt(DAVIDSON) = 23 +Energy at sites (5, 6) is -107.199617421912 Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -107.199617421917 +Energy at sites (4, 5) is -107.199617421918 Stats: nIt(DAVIDSON) = 13 Energy at sites (3, 4) is -107.199617421919 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421919 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 1.023544 seconds -*** |--> S.join = 0.018642 seconds -*** |--> S.solve = 0.78808 seconds -*** |--> S.split = 0.06968 seconds -*** |--> Tensor update = 0.146623 seconds -*** |--> create = 0.031299 seconds -*** |--> destroy = 0.001461 seconds -*** |--> disk write = 0.01523 seconds -*** |--> disk read = 0.008865 seconds -*** |--> calc = 0.089721 seconds -*** Disk write bandwidth = 55.2317067657891 MB/s -*** Disk read bandwidth = 94.47884169663 MB/s +*** Elapsed wall time = 4.045185 seconds +*** |--> S.join = 0.098707 seconds +*** |--> S.solve = 3.176536 seconds +*** |--> S.split = 0.272798 seconds +*** |--> Tensor update = 0.489661 seconds +*** |--> create = 0.05071 seconds +*** |--> destroy = 0.002652 seconds +*** |--> disk write = 0.019143 seconds +*** |--> disk read = 0.022139 seconds +*** |--> calc = 0.394905 seconds +*** Disk write bandwidth = 43.9418531078185 MB/s +*** Disk read bandwidth = 37.8316514585404 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 ****************************************************************** @@ -3433,31 +3469,31 @@ Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617421919 - Stats: nIt(DAVIDSON) = 7 + Stats: nIt(DAVIDSON) = 8 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) = 5 + Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421919 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 0.614523 seconds -*** |--> S.join = 0.018194 seconds -*** |--> S.solve = 0.385767 seconds -*** |--> S.split = 0.070548 seconds -*** |--> Tensor update = 0.139743 seconds -*** |--> create = 0.027251 seconds -*** |--> destroy = 0.00131 seconds -*** |--> disk write = 0.012711 seconds -*** |--> disk read = 0.007913 seconds -*** |--> calc = 0.090525 seconds -*** Disk write bandwidth = 65.8921352875954 MB/s -*** Disk read bandwidth = 106.303411353844 MB/s +*** Elapsed wall time = 2.854627 seconds +*** |--> S.join = 0.105596 seconds +*** |--> S.solve = 1.85309 seconds +*** |--> S.split = 0.318705 seconds +*** |--> Tensor update = 0.57555 seconds +*** |--> create = 0.046217 seconds +*** |--> destroy = 0.013291 seconds +*** |--> disk write = 0.018277 seconds +*** |--> disk read = 0.020413 seconds +*** |--> calc = 0.477235 seconds +*** Disk write bandwidth = 45.8256240980809 MB/s +*** Disk read bandwidth = 41.2079995122211 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.79953837889479e-11 +*** Energy difference with respect to previous leftright sweep = 3.33386651618639e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3472,54 +3508,54 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919 - NOON of irrep Ag = [ 1.99998814651127 , 1.98924041563938 , 1.87687858048774 ]. - NOON of irrep B2g = [ 0.139387811152468 ]. - NOON of irrep B3g = [ 1.03112739660594 ]. - NOON of irrep B1u = [ 1.99999431244148 , 1.1083916401055 , 0.0211636956656264 ]. - NOON of irrep B2u = [ 1.96715797401068 ]. - NOON of irrep B3u = [ 1.8666700273799 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980000077884 , 0.0818410216407359 , 0.449623196673037 , 0.486645055279964 , 0.811029480586829 , 6.68868118203611e-05 , 0.962046612843095 , 0.112095070318875 , 0.167176148562676 , 0.475082460837578 ]. - Idistance(0) = 2.38445938993744 - Idistance(1) = 9.57998272817173 - Idistance(2) = 47.8783646284847 + NOON of irrep Ag = [ 1.99998814651116 , 1.98924041564572 , 1.87687858058044 ]. + NOON of irrep B2g = [ 0.139387810939403 ]. + NOON of irrep B3g = [ 1.03112739664625 ]. + NOON of irrep B1u = [ 1.99999431244147 , 1.10839163993044 , 0.0211636956967595 ]. + NOON of irrep B2u = [ 1.96715797406363 ]. + NOON of irrep B3u = [ 1.86667002754472 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980000244811 , 0.0818410217051148 , 0.449623196336828 , 0.486645054721088 , 0.811029480196899 , 6.68868119156038e-05 , 0.962046612616749 , 0.112095070460995 , 0.167176148348459 , 0.47508246036771 ]. + Idistance(0) = 2.38445938709277 + Idistance(1) = 9.57998271668731 + Idistance(2) = 47.8783645710467 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 0.52624 seconds -*** |--> MPS gauge change = 0.150023 seconds -*** |--> Diagram calc = 0.02653 seconds -*** |--> Tensor update = 0.348394 seconds -*** |--> create = 0.069138 seconds -*** |--> destroy = 0.00562700000000001 seconds -*** |--> disk write = 0.03801 seconds -*** |--> disk read = 0.020416 seconds -*** |--> calc = 0.215036 seconds -*** Disk write bandwidth = 44.8737261139133 MB/s -*** Disk read bandwidth = 83.5447849524806 MB/s +*** Elapsed wall time = 1.781483 seconds +*** |--> MPS gauge change = 0.589296 seconds +*** |--> Diagram calc = 0.121508 seconds +*** |--> Tensor update = 1.068736 seconds +*** |--> create = 0.134876 seconds +*** |--> destroy = 0.012293 seconds +*** |--> disk write = 0.040808 seconds +*** |--> disk read = 0.053824 seconds +*** |--> calc = 0.826422 seconds +*** Disk write bandwidth = 41.7969596547207 MB/s +*** Disk read bandwidth = 31.689401188872 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 = 7.239686 seconds -FCI::matvec : Wall time = 7.247828 seconds -FCI::matvec : Wall time = 2.151637 seconds -FCI::matvec : Wall time = 0.017407 seconds -FCI::matvec : Wall time = 0.014627 seconds -FCI::matvec : Wall time = 0.016864 seconds -FCI::matvec : Wall time = 0.018311 seconds -FCI::matvec : Wall time = 0.01769 seconds -FCI::matvec : Wall time = 0.01509 seconds -FCI::matvec : Wall time = 0.015647 seconds -FCI::matvec : Wall time = 0.014915 seconds -FCI::matvec : Wall time = 0.01552 seconds -FCI::matvec : Wall time = 0.014614 seconds -FCI::matvec : Wall time = 0.013528 seconds -FCI::matvec : Wall time = 0.01791 seconds -FCI::matvec : Wall time = 0.013999 seconds -FCI::matvec : Wall time = 0.013357 seconds -FCI::matvec : Wall time = 0.039996 seconds -FCI::matvec : Wall time = 0.014723 seconds -FCI::matvec : Wall time = 0.012248 seconds -FCI::matvec : Wall time = 0.023374 seconds +FCI::matvec : Wall time = 29.852001 seconds +FCI::matvec : Wall time = 28.031897 seconds +FCI::matvec : Wall time = 28.347675 seconds +FCI::matvec : Wall time = 28.583337 seconds +FCI::matvec : Wall time = 28.635615 seconds +FCI::matvec : Wall time = 33.591542 seconds +FCI::matvec : Wall time = 28.748187 seconds +FCI::matvec : Wall time = 29.611069 seconds +FCI::matvec : Wall time = 29.267518 seconds +FCI::matvec : Wall time = 28.977216 seconds +FCI::matvec : Wall time = 29.674045 seconds +FCI::matvec : Wall time = 28.035246 seconds +FCI::matvec : Wall time = 28.515223 seconds +FCI::matvec : Wall time = 28.943247 seconds +FCI::matvec : Wall time = 27.18737 seconds +FCI::matvec : Wall time = 27.107451 seconds +FCI::matvec : Wall time = 27.595719 seconds +FCI::matvec : Wall time = 27.90319 seconds +FCI::matvec : Wall time = 27.231313 seconds +FCI::matvec : Wall time = 28.263371 seconds +FCI::matvec : Wall time = 35.190949 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 @@ -3536,7 +3572,7 @@ 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 -j22 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 -j10 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" @@ -3551,56 +3587,56 @@ -- 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/Tensor3RDM.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/TensorKM.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/TensorT.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/FourIndex.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/DMRGSCFwtilde.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/Heff.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/Problem.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/Wigner.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/TensorS0.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/Tensor.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/TensorGYZ.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/ConvergenceScheme.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/Irreps.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/SyBookkeeper.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/DMRGSCFrotations.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/TensorOperator.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/DMRG.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/Sobject.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/TensorO.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/TensorQ.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/SyBookkeeper.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/TensorQ.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/Tensor.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/DIIS.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/TensorX.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/Molden.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/DMRGSCFoptions.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/DMRG.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/ConvergenceScheme.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/EdmistonRuedenberg.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/TwoIndex.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/TensorF1.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/ThreeDM.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/DMRGSCFoptions.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/TensorO.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/DIIS.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/DMRGSCFrotations.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/CASSCF.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/Davidson.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/TensorF0.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/Hamiltonian.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/TensorL.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/Problem.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/Wigner.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 @@ -3656,7 +3692,7 @@ 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_1.8.12-4_i386) -+++ dpkg-gensymbolsm2wDPJ 2026-04-20 17:42:12.945475415 -1200 ++++ dpkg-gensymbolsk4steM 2025-03-19 14:31:20.063551461 +1400 @@ -142,12 +142,12 @@ _ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.8.7 _ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.8.7 @@ -3715,17 +3751,17 @@ dh_shlibdeps -a dh_installdeb dh_gencontrol -dpkg-gencontrol: warning: Depends field of package chemps2-doc: substitution variable ${sphinxdoc:Depends} used, but is not defined dpkg-gencontrol: warning: Depends field of package libchemps2-dev: substitution variable ${shlibs:Depends} used, but is not defined +dpkg-gencontrol: warning: Depends field of package chemps2-doc: substitution variable ${sphinxdoc:Depends} used, but is not defined dh_md5sums dh_builddeb -dpkg-deb: building package 'libchemps2-3t64-dbgsym' in '../libchemps2-3t64-dbgsym_1.8.12-4_i386.deb'. -dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-4_all.deb'. -dpkg-deb: building package 'python3-chemps2-dbgsym' in '../python3-chemps2-dbgsym_1.8.12-4_i386.deb'. dpkg-deb: building package 'chemps2' in '../chemps2_1.8.12-4_i386.deb'. +dpkg-deb: building package 'python3-chemps2-dbgsym' in '../python3-chemps2-dbgsym_1.8.12-4_i386.deb'. +dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-4_all.deb'. +dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.12-4_i386.deb'. dpkg-deb: building package 'libchemps2-3t64' in '../libchemps2-3t64_1.8.12-4_i386.deb'. +dpkg-deb: building package 'libchemps2-3t64-dbgsym' in '../libchemps2-3t64-dbgsym_1.8.12-4_i386.deb'. dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.12-4_i386.deb'. -dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.12-4_i386.deb'. dpkg-deb: building package 'python3-chemps2' in '../python3-chemps2_1.8.12-4_i386.deb'. dpkg-genbuildinfo --build=binary -O../chemps2_1.8.12-4_i386.buildinfo dpkg-genchanges --build=binary -O../chemps2_1.8.12-4_i386.changes @@ -3734,12 +3770,14 @@ 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/37140/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/37140/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/48291 and its subdirectories -I: Current time: Mon Apr 20 17:42:22 -12 2026 -I: pbuilder-time-stamp: 1776750142 +I: removing directory /srv/workspace/pbuilder/37140 and its subdirectories +I: Current time: Wed Mar 19 14:31:38 +14 2025 +I: pbuilder-time-stamp: 1742344298