Diff of the two buildlogs:
--
--- b1/build.log 2025-03-21 06:26:19.782100577 +0000
+++ b2/build.log 2025-03-21 06:57:37.408996444 +0000
@@ -1,6 +1,6 @@
I: pbuilder: network access will be disabled during build
-I: Current time: Thu Mar 20 17:20:57 -12 2025
-I: pbuilder-time-stamp: 1742534457
+I: Current time: Fri Apr 24 02:49:21 +14 2026
+I: pbuilder-time-stamp: 1776948561
I: Building the build Environment
I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz]
I: copying local configuration
@@ -22,52 +22,84 @@
dpkg-source: info: unpacking chemps2_1.8.12-4.debian.tar.xz
I: Not using root during the build.
I: Installing the build-deps
-I: user script /srv/workspace/pbuilder/777532/tmp/hooks/D02_print_environment starting
+I: user script /srv/workspace/pbuilder/3493888/tmp/hooks/D01_modify_environment starting
+debug: Running on ionos5-amd64.
+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 Apr 23 12:49 /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/3493888/tmp/hooks/D01_modify_environment finished
+I: user script /srv/workspace/pbuilder/3493888/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='amd64'
- DEBIAN_FRONTEND='noninteractive'
- DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 '
- DISTRIBUTION='trixie'
- HOME='/root'
- HOST_ARCH='amd64'
+ 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]="x86_64-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=amd64
+ DEBIAN_FRONTEND=noninteractive
+ DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 '
+ DIRSTACK=()
+ DISTRIBUTION=trixie
+ EUID=0
+ FUNCNAME=([0]="Echo" [1]="main")
+ GROUPS=()
+ HOME=/root
+ HOSTNAME=i-capture-the-hostname
+ HOSTTYPE=x86_64
+ HOST_ARCH=amd64
IFS='
'
- INVOCATION_ID='3269f023a0754c7f94e989bbb03a97cc'
- LANG='C'
- LANGUAGE='en_US:en'
- LC_ALL='C'
- MAIL='/var/mail/root'
- OPTIND='1'
- PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games'
- PBCURRENTCOMMANDLINEOPERATION='build'
- PBUILDER_OPERATION='build'
- PBUILDER_PKGDATADIR='/usr/share/pbuilder'
- PBUILDER_PKGLIBDIR='/usr/lib/pbuilder'
- PBUILDER_SYSCONFDIR='/etc'
- PPID='777532'
- PS1='# '
- PS2='> '
+ INVOCATION_ID=c00683b5cb684abd8b71b098aeef53c3
+ LANG=C
+ LANGUAGE=et_EE:et
+ LC_ALL=C
+ MACHTYPE=x86_64-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=3493888
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.xc0U3XJ3/pbuilderrc_nPa2 --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.xc0U3XJ3/b1 --logfile b1/build.log chemps2_1.8.12-4.dsc'
- SUDO_GID='111'
- SUDO_UID='106'
- SUDO_USER='jenkins'
- TERM='unknown'
- TZ='/usr/share/zoneinfo/Etc/GMT+12'
- USER='root'
- _='/usr/bin/systemd-run'
- http_proxy='http://46.16.76.132:3128'
+ 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.xc0U3XJ3/pbuilderrc_hTSF --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.xc0U3XJ3/b2 --logfile b2/build.log chemps2_1.8.12-4.dsc'
+ SUDO_GID=110
+ SUDO_UID=105
+ SUDO_USER=jenkins
+ TERM=unknown
+ TZ=/usr/share/zoneinfo/Etc/GMT-14
+ UID=0
+ USER=root
+ _='I: set'
+ http_proxy=http://213.165.73.152:3128
I: uname -a
- Linux ionos11-amd64 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 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64 GNU/Linux
I: ls -l /bin
- lrwxrwxrwx 1 root root 7 Mar 4 11:20 /bin -> usr/bin
-I: user script /srv/workspace/pbuilder/777532/tmp/hooks/D02_print_environment finished
+ lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin
+I: user script /srv/workspace/pbuilder/3493888/tmp/hooks/D02_print_environment finished
-> Attempting to satisfy build-dependencies
-> Creating pbuilder-satisfydepends-dummy package
Package: pbuilder-satisfydepends-dummy
@@ -307,7 +339,7 @@
Get: 172 http://deb.debian.org/debian trixie/main amd64 python3-snowballstemmer all 2.2.0-4 [58.0 kB]
Get: 173 http://deb.debian.org/debian trixie/main amd64 sphinx-common all 8.1.3-5 [617 kB]
Get: 174 http://deb.debian.org/debian trixie/main amd64 python3-sphinx all 8.1.3-5 [468 kB]
-Fetched 109 MB in 7s (14.6 MB/s)
+Fetched 109 MB in 4s (26.4 MB/s)
Preconfiguring packages ...
Selecting previously unselected package libpython3.13-minimal:amd64.
(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 ... 19785 files and directories currently installed.)
@@ -871,8 +903,8 @@
Setting up tzdata (2025a-2) ...
Current default time zone: 'Etc/UTC'
-Local time is now: Fri Mar 21 05:23:28 UTC 2025.
-Universal Time is now: Fri Mar 21 05:23:28 UTC 2025.
+Local time is now: Thu Apr 23 12:51:54 UTC 2026.
+Universal Time is now: Thu Apr 23 12:51:54 UTC 2026.
Run 'dpkg-reconfigure tzdata' if you wish to change it.
Setting up autotools-dev (20220109.1) ...
@@ -1045,7 +1077,11 @@
Building tag database...
-> Finished parsing the build-deps
I: Building the package
-I: Running cd /build/reproducible-path/chemps2-1.8.12/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../chemps2_1.8.12-4_source.changes
+I: user script /srv/workspace/pbuilder/3493888/tmp/hooks/A99_set_merged_usr starting
+Not re-configuring usrmerge for trixie
+I: user script /srv/workspace/pbuilder/3493888/tmp/hooks/A99_set_merged_usr finished
+hostname: Name or service not known
+I: Running cd /build/reproducible-path/chemps2-1.8.12/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../chemps2_1.8.12-4_source.changes
dpkg-buildpackage: info: source package chemps2
dpkg-buildpackage: info: source version 1.8.12-4
dpkg-buildpackage: info: source distribution unstable
@@ -1114,7 +1150,7 @@
-- HDF5 detected.
-- Found TargetHDF5: Found HDF5: /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/x86_64-linux-gnu/libcrypto.so;/usr/lib/x86_64-linux-gnu/libcurl.so;/usr/lib/x86_64-linux-gnu/libpthread.a;/usr/lib/x86_64-linux-gnu/libsz.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libdl.a;/usr/lib/x86_64-linux-gnu/libm.so (found version 1.14.5) (found version "1.14.5")
-- Found Sphinx: /usr/bin/sphinx-build
--- Configuring done (15.2s)
+-- Configuring done (16.4s)
-- Generating done (0.2s)
CMake Warning:
Manually-specified variables were not used by the project:
@@ -1129,7 +1165,7 @@
debian/rules override_dh_auto_build
make[1]: Entering directory '/build/reproducible-path/chemps2-1.8.12'
dh_auto_build -- VERBOSE=1
- cd obj-x86_64-linux-gnu && make -j20 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1
+ cd obj-x86_64-linux-gnu && make -j42 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1
make[2]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
/usr/bin/cmake -S/build/reproducible-path/chemps2-1.8.12 -B/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
/usr/bin/cmake -E cmake_progress_start /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu//CMakeFiles/progress.marks
@@ -1142,123 +1178,123 @@
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-x86_64-linux-gnu'
[ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o
-[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o
-[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o
-[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o
-[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o
-[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o
-[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
-[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o
-[ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o
-[ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
+[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o
+[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
-[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o
-[ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o
-[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o
+[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
+[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o
+[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
-[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o
+[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/DMRG.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
-[ 17%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -MF CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/ConvergenceScheme.cpp
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
+[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o
+[ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o
+[ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -MF CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/ConvergenceScheme.cpp
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
+[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o
+[ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o
+[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
+[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
+[ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
-[ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o
+[ 17%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
-[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o
+[ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
+[ 19%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o
+[ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o
+[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
+[ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o
+[ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o
+[ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o
+[ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
+[ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o
+[ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o
+[ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
-[ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
+[ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o -MF CMakeFiles/chemps2-base.dir/FCI.cpp.o.d -o CMakeFiles/chemps2-base.dir/FCI.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/FCI.cpp
-[ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o -MF CMakeFiles/chemps2-base.dir/FourIndex.cpp.o.d -o CMakeFiles/chemps2-base.dir/FourIndex.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/FourIndex.cpp
-[ 31%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o
+[ 31%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o -MF CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o.d -o CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Hamiltonian.cpp
-[ 32%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o -MF CMakeFiles/chemps2-base.dir/Heff.cpp.o.d -o CMakeFiles/chemps2-base.dir/Heff.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Heff.cpp
-[ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o
+[ 32%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagonal.cpp
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
+[ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o -MF CMakeFiles/chemps2-base.dir/Heff.cpp.o.d -o CMakeFiles/chemps2-base.dir/Heff.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Heff.cpp
[ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams1.cpp
-[ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams2.cpp
-[ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o
+[ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams3.cpp
-[ 38%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams4.cpp
+[ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams2.cpp
[ 39%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o
+[ 38%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o
+[ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o -MF CMakeFiles/chemps2-base.dir/Sobject.cpp.o.d -o CMakeFiles/chemps2-base.dir/Sobject.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Sobject.cpp
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams5.cpp
-[ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o -MF CMakeFiles/chemps2-base.dir/Initialize.cpp.o.d -o CMakeFiles/chemps2-base.dir/Initialize.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Initialize.cpp
-[ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o -MF CMakeFiles/chemps2-base.dir/Irreps.cpp.o.d -o CMakeFiles/chemps2-base.dir/Irreps.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Irreps.cpp
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/HeffDiagrams4.cpp
+[ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o
[ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o -MF CMakeFiles/chemps2-base.dir/Molden.cpp.o.d -o CMakeFiles/chemps2-base.dir/Molden.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Molden.cpp
[ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o -MF CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o.d -o CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/PrintLicense.cpp
-[ 44%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o -MF CMakeFiles/chemps2-base.dir/Problem.cpp.o.d -o CMakeFiles/chemps2-base.dir/Problem.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Problem.cpp
-[ 45%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o -MF CMakeFiles/chemps2-base.dir/Sobject.cpp.o.d -o CMakeFiles/chemps2-base.dir/Sobject.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Sobject.cpp
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o -MF CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o.d -o CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/PrintLicense.cpp
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o -MF CMakeFiles/chemps2-base.dir/Molden.cpp.o.d -o CMakeFiles/chemps2-base.dir/Molden.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Molden.cpp
+[ 45%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o
+[ 45%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o -MF CMakeFiles/chemps2-base.dir/Initialize.cpp.o.d -o CMakeFiles/chemps2-base.dir/Initialize.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Initialize.cpp
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o -MF CMakeFiles/chemps2-base.dir/Irreps.cpp.o.d -o CMakeFiles/chemps2-base.dir/Irreps.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Irreps.cpp
[ 46%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o -MF CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o.d -o CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/SyBookkeeper.cpp
[ 47%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o -MF CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Tensor3RDM.cpp
[ 48%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorF0.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorF0.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorF0.cpp
[ 50%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorF0.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorF0.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorF0.cpp
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorF1.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorF1.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorF1.cpp
-[ 51%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorGYZ.cpp
-[ 52%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o
+[ 51%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorKM.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorKM.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorKM.cpp
+[ 52%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o
[ 53%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TensorGYZ.cpp
[ 54%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/TensorT.cpp.o
+[ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/TensorS0.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
+[ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o -MF CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/ThreeDM.cpp
-[ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -MF CMakeFiles/chemps2-base.dir/TwoDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TwoDM.cpp
-[ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o
+[ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -MF CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o.d -o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TwoIndex.cpp
+[ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -MF CMakeFiles/chemps2-base.dir/TwoDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/TwoDM.cpp
[ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o -MF CMakeFiles/chemps2-base.dir/Wigner.cpp.o.d -o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/Wigner.cpp
make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
@@ -1266,19 +1302,19 @@
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-x86_64-linux-gnu'
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake "--color="
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake "--color="
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build
-[ 66%] Linking CXX static library libchemps2.a
+make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -P CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake
-[ 67%] Linking CXX shared library libchemps2.so
+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-x86_64-linux-gnu'
+[ 66%] Linking CXX shared library libchemps2.so
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-shared.dir/link.txt --verbose=1
+[ 67%] Linking CXX static library libchemps2.a
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -P CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-static.dir/link.txt --verbose=1
/usr/bin/ar qc libchemps2.a "CMakeFiles/chemps2-base.dir/CASPT2.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCF.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o" "CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o" "CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o" "CMakeFiles/chemps2-base.dir/Correlations.cpp.o" "CMakeFiles/chemps2-base.dir/Cumulant.cpp.o" "CMakeFiles/chemps2-base.dir/Davidson.cpp.o" "CMakeFiles/chemps2-base.dir/DIIS.cpp.o" "CMakeFiles/chemps2-base.dir/DMRG.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o" "CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o" "CMakeFiles/chemps2-base.dir/Excitation.cpp.o" "CMakeFiles/chemps2-base.dir/FCI.cpp.o" "CMakeFiles/chemps2-base.dir/FourIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o" "CMakeFiles/chemps2-base.dir/Heff.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o" "CMakeFiles/chemps2-base.dir/Initialize.cpp.o" "CMakeFiles/chemps2-base.dir/Irreps.cpp.o" "CMakeFiles/chemps2-base.dir/Molden.cpp.o" "CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o" "CMakeFiles/chemps2-base.dir/Problem.cpp.o" "CMakeFiles/chemps2-base.dir/Sobject.cpp.o" "CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o" "CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorKM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorL.cpp.o" "CMakeFiles/chemps2-base.dir/TensorO.cpp.o" "CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o" "CMakeFiles/chemps2-base.dir/TensorQ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorT.cpp.o" "CMakeFiles/chemps2-base.dir/TensorX.cpp.o" "CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Wigner.cpp.o"
/usr/bin/ranlib libchemps2.a
@@ -1289,197 +1325,197 @@
make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
[ 67%] Built target chemps2-shared
make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/depend
-make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake "--color="
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-x86_64-linux-gnu'
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake "--color="
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-x86_64-linux-gnu'
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake "--color="
make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/depend
+make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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/test7.dir/build.make tests/CMakeFiles/test7.dir/depend
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/DependInfo.cmake "--color="
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake "--color="
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake "--color="
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake "--color="
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake "--color="
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake "--color="
-make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/depend
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-x86_64-linux-gnu'
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake "--color="
make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/depend
+make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/depend
+make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build
-make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu'
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake "--color="
+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-x86_64-linux-gnu'
+make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/depend
+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-x86_64-linux-gnu'
-make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test11.dir/DependInfo.cmake "--color="
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/build
-make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build
+make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/depend
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake "--color="
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/build
-make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build
+make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/depend
+make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build
+make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/build
+make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-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-x86_64-linux-gnu'
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+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-x86_64-linux-gnu'
-[ 68%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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
-[ 70%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o
-[ 70%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test1.cpp
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test4.cpp
-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-x86_64-linux-gnu'
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test11.dir/DependInfo.cmake "--color="
-[ 72%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o
-[ 72%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o
-make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/build
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/depend
-make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/depend
-make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/depend
+[ 68%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o
+[ 69%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o
+make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/build
+make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test6.cpp
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test3.cpp
+[ 70%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o
+[ 71%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test5.cpp
+make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -MF CMakeFiles/chemps2-bin.dir/executable.cpp.o.d -o CMakeFiles/chemps2-bin.dir/executable.cpp.o -c /build/reproducible-path/chemps2-1.8.12/CheMPS2/executable.cpp
+[ 73%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o
+[ 75%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test2.cpp
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test4.cpp
+[ 75%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o
+make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/build
+make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/build
+make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/build
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake "--color="
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake "--color="
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake "--color="
-[ 75%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o
-[ 76%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o
-[ 76%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test6.cpp
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test7.cpp
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test3.cpp
-make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/build
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test7.cpp
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu'
+[ 76%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test11.cpp
+[ 79%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o
+[ 80%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o
+[ 78%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o
[ 78%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o
-[ 78%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o
-[ 79%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test13.cpp
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test8.cpp
-[ 81%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o
-[ 81%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test10.cpp
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test14.dir/tests/test14.cpp.o -MF CMakeFiles/test14.dir/tests/test14.cpp.o.d -o CMakeFiles/test14.dir/tests/test14.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test14.cpp
make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
+make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/build
make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test10.cpp
-make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/build
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test12.cpp
+make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/build
make[4]: Entering directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu'
+[ 81%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o
+cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test12.cpp
+[ 82%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o
cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-x86_64-linux-gnu/tests/tests/test9.cpp
-cd /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/reproducible-path/chemps2-1.8.12/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test14.dir/tests/test14.cpp.o -MF CMakeFiles/test14.dir/tests/test14.cpp.o.d -o CMakeFiles/test14.dir/tests/test14.cpp.o -c /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/tests/tests/test14.cpp
+make[4]: Leaving directory '/build/reproducible-path/chemps2-1.8.12/obj-x86_64-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-x86_64-linux-gnu'
-[ 82%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o
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-[100%] Built target test14
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-[100%] Built target test5
-/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test2.dir/link.d CMakeFiles/test2.dir/tests/test2.cpp.o -o test2 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm
+/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test10.dir/link.d CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-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-x86_64-linux-gnu'
+[100%] Built target test5
+[100%] Built target test3
[100%] Built target test12
-/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test7.dir/link.d CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-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
+[100%] Built target test8
+[100%] Built target test9
+[100%] Built target test4
+[100%] Built target test10
+[100%] Built target test6
+/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test2.dir/link.d CMakeFiles/test2.dir/tests/test2.cpp.o -o test2 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-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-x86_64-linux-gnu'
-[100%] Built target test3
-[100%] Built target test7
-/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test9.dir/link.d CMakeFiles/test9.dir/tests/test9.cpp.o -o test9 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm
[100%] Built target test2
+/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test14.dir/link.d CMakeFiles/test14.dir/tests/test14.cpp.o -o test14 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-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-x86_64-linux-gnu'
-[100%] Built target test9
+/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test1.dir/link.d CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-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-x86_64-linux-gnu'
+[100%] Built target test14
+[100%] Built target test1
/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test11.dir/link.d CMakeFiles/test11.dir/tests/test11.cpp.o -o test11 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm
-/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test13.dir/link.d CMakeFiles/test13.dir/tests/test13.cpp.o -o test13 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-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-x86_64-linux-gnu'
+/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test7.dir/link.d CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-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-x86_64-linux-gnu'
+[100%] Built target test7
[100%] Built target test11
-[100%] Built target test13
-/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic -Wl,--dependency-file=CMakeFiles/test1.dir/link.d CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-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-x86_64-linux-gnu'
-[100%] Built target test1
/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/reproducible-path/chemps2-1.8.12=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -Wl,-rpath,/build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial: libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-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-x86_64-linux-gnu'
[100%] Built target chemps2-bin
@@ -1535,11 +1571,11 @@
preparing documents... done
copying assets...
copying static files...
-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/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/sidebar.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
copying static files: done
copying extra files...
copying extra files: done
@@ -1587,15 +1623,15 @@
cd obj-x86_64-linux-gnu/ && ctest -R "^test3|^test5|^test8"
Test project /build/reproducible-path/chemps2-1.8.12/obj-x86_64-linux-gnu
Start 3: test3
-1/3 Test #3: test3 ............................ Passed 485.86 sec
+1/3 Test #3: test3 ............................ Passed 526.53 sec
Start 5: test5
-2/3 Test #5: test5 ............................ Passed 107.86 sec
+2/3 Test #5: test5 ............................ Passed 65.31 sec
Start 8: test8
-3/3 Test #8: test8 ............................ Passed 346.65 sec
+3/3 Test #8: test8 ............................ Passed 124.69 sec
100% tests passed, 0 tests failed out of 3
-Total Test time (real) = 940.39 sec
+Total Test time (real) = 716.54 sec
cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-x86_64-cpython-313:.. \
LD_LIBRARY_PATH=../../obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial \
python3 test1.py
@@ -1619,178 +1655,178 @@
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
- Stats: nIt(DAVIDSON) = 12
-Energy at sites (8, 9) is -101.463390906674
- Stats: nIt(DAVIDSON) = 14
-Energy at sites (7, 8) is -106.852264596457
- Stats: nIt(DAVIDSON) = 56
-Energy at sites (6, 7) is -106.892050566836
- Stats: nIt(DAVIDSON) = 61
-Energy at sites (5, 6) is -106.906796341808
- Stats: nIt(DAVIDSON) = 46
-Energy at sites (4, 5) is -107.632643272635
- Stats: nIt(DAVIDSON) = 24
-Energy at sites (3, 4) is -107.648051486351
+ Stats: nIt(DAVIDSON) = 7
+Energy at sites (8, 9) is -101.474368323141
+ Stats: nIt(DAVIDSON) = 9
+Energy at sites (7, 8) is -106.851884794874
+ Stats: nIt(DAVIDSON) = 74
+Energy at sites (6, 7) is -106.887185021075
+ Stats: nIt(DAVIDSON) = 64
+Energy at sites (5, 6) is -106.910959513932
+ Stats: nIt(DAVIDSON) = 41
+Energy at sites (4, 5) is -107.633401011932
+ Stats: nIt(DAVIDSON) = 27
+Energy at sites (3, 4) is -107.648055766996
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -107.648051486351
+Energy at sites (2, 3) is -107.648055766996
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.648051486351
+Energy at sites (1, 2) is -107.648055766996
******************************************************************
*** Information on left sweep 0 of instruction 0:
-*** Elapsed wall time = 6.47166 seconds
-*** |--> S.join = 0.081964 seconds
-*** |--> S.solve = 5.665027 seconds
-*** |--> S.split = 0.265068 seconds
-*** |--> Tensor update = 0.457132 seconds
-*** |--> create = 0.02552 seconds
-*** |--> destroy = 0.00265 seconds
-*** |--> disk write = 0.0277 seconds
-*** |--> disk read = 0.029942 seconds
-*** |--> calc = 0.371198 seconds
-*** Disk write bandwidth = 21.1538046275666 MB/s
-*** Disk read bandwidth = 19.6360974805196 MB/s
-*** Minimum energy = -107.648051486351
+*** Elapsed wall time = 2.977405 seconds
+*** |--> S.join = 0.028619 seconds
+*** |--> S.solve = 1.659664 seconds
+*** |--> S.split = 0.078942 seconds
+*** |--> Tensor update = 1.208562 seconds
+*** |--> create = 0.016608 seconds
+*** |--> destroy = 0.001917 seconds
+*** |--> disk write = 0.940494 seconds
+*** |--> disk read = 0.150548 seconds
+*** |--> calc = 0.098913 seconds
+*** Disk write bandwidth = 0.623034690474999 MB/s
+*** Disk read bandwidth = 3.90535929246299 MB/s
+*** Minimum energy = -107.648055766996
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (0, 1) is -107.648051486351
+Energy at sites (0, 1) is -107.648055766996
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.648051486351
+Energy at sites (1, 2) is -107.648055766996
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -107.648051486351
+Energy at sites (2, 3) is -107.648055766996
Stats: nIt(DAVIDSON) = 1
-Energy at sites (3, 4) is -107.648051486351
- Stats: nIt(DAVIDSON) = 9
-Energy at sites (4, 5) is -107.648078613588
- Stats: nIt(DAVIDSON) = 9
-Energy at sites (5, 6) is -107.648250651655
+Energy at sites (3, 4) is -107.648055766996
+ Stats: nIt(DAVIDSON) = 8
+Energy at sites (4, 5) is -107.648069163461
+ Stats: nIt(DAVIDSON) = 8
+Energy at sites (5, 6) is -107.648250622596
Stats: nIt(DAVIDSON) = 1
-Energy at sites (6, 7) is -107.648250651655
+Energy at sites (6, 7) is -107.648250622596
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.648250651656
+Energy at sites (7, 8) is -107.648250622596
******************************************************************
*** Information on right sweep 0 of instruction 0:
-*** Elapsed wall time = 2.09144 seconds
-*** |--> S.join = 0.075436 seconds
-*** |--> S.solve = 0.995992 seconds
-*** |--> S.split = 0.256736 seconds
-*** |--> Tensor update = 0.760944 seconds
-*** |--> create = 0.019527 seconds
-*** |--> destroy = 0.002303 seconds
-*** |--> disk write = 0.341055 seconds
-*** |--> disk read = 0.018645 seconds
-*** |--> calc = 0.379297 seconds
-*** Disk write bandwidth = 1.72389799522575 MB/s
-*** Disk read bandwidth = 31.4272130964652 MB/s
-*** Minimum energy = -107.648250651656
-*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 107.648250651656
+*** Elapsed wall time = 0.815482 seconds
+*** |--> S.join = 0.038689 seconds
+*** |--> S.solve = 0.400247 seconds
+*** |--> S.split = 0.097544 seconds
+*** |--> Tensor update = 0.276175 seconds
+*** |--> create = 0.017926 seconds
+*** |--> destroy = 0.001642 seconds
+*** |--> disk write = 0.021616 seconds
+*** |--> disk read = 0.100158 seconds
+*** |--> calc = 0.134775 seconds
+*** Disk write bandwidth = 27.1994832883845 MB/s
+*** Disk read bandwidth = 5.85036031254212 MB/s
+*** Minimum energy = -107.648250622596
+*** Maximum discarded weight = 0
+*** Energy difference with respect to previous leftright sweep = 107.648250622596
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (8, 9) is -107.648250651656
+Energy at sites (8, 9) is -107.648250622596
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.648250651656
+Energy at sites (7, 8) is -107.648250622596
Stats: nIt(DAVIDSON) = 1
-Energy at sites (6, 7) is -107.648250651655
+Energy at sites (6, 7) is -107.648250622596
Stats: nIt(DAVIDSON) = 1
-Energy at sites (5, 6) is -107.648250651655
- Stats: nIt(DAVIDSON) = 6
-Energy at sites (4, 5) is -107.648250869692
+Energy at sites (5, 6) is -107.648250622596
+ Stats: nIt(DAVIDSON) = 7
+Energy at sites (4, 5) is -107.648250892608
Stats: nIt(DAVIDSON) = 5
-Energy at sites (3, 4) is -107.648250972503
+Energy at sites (3, 4) is -107.648250972615
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -107.648250972503
+Energy at sites (2, 3) is -107.648250972615
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.648250972503
+Energy at sites (1, 2) is -107.648250972615
******************************************************************
*** Information on left sweep 1 of instruction 0:
-*** Elapsed wall time = 2.136914 seconds
-*** |--> S.join = 0.08481 seconds
-*** |--> S.solve = 0.806712 seconds
-*** |--> S.split = 0.249649 seconds
-*** |--> Tensor update = 0.994072 seconds
-*** |--> create = 0.018669 seconds
-*** |--> destroy = 0.003255 seconds
-*** |--> disk write = 0.487445 seconds
-*** |--> disk read = 0.100402 seconds
-*** |--> calc = 0.384162 seconds
-*** Disk write bandwidth = 1.20210564921908 MB/s
-*** Disk read bandwidth = 5.85589959126032 MB/s
-*** Minimum energy = -107.648250972503
+*** Elapsed wall time = 0.929677 seconds
+*** |--> S.join = 0.045226 seconds
+*** |--> S.solve = 0.433555 seconds
+*** |--> S.split = 0.119098 seconds
+*** |--> Tensor update = 0.331163 seconds
+*** |--> create = 0.016998 seconds
+*** |--> destroy = 0.001717 seconds
+*** |--> disk write = 0.149863 seconds
+*** |--> disk read = 0.010631 seconds
+*** |--> calc = 0.151884 seconds
+*** Disk write bandwidth = 3.90997369720074 MB/s
+*** Disk read bandwidth = 55.3046779006414 MB/s
+*** Minimum energy = -107.648250972615
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (0, 1) is -107.648250972504
+Energy at sites (0, 1) is -107.648250972615
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.648250972503
+Energy at sites (1, 2) is -107.648250972615
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -107.648250972503
+Energy at sites (2, 3) is -107.648250972615
Stats: nIt(DAVIDSON) = 1
-Energy at sites (3, 4) is -107.648250972503
+Energy at sites (3, 4) is -107.648250972615
Stats: nIt(DAVIDSON) = 2
-Energy at sites (4, 5) is -107.648250972585
+Energy at sites (4, 5) is -107.64825097264
Stats: nIt(DAVIDSON) = 3
-Energy at sites (5, 6) is -107.648250973998
+Energy at sites (5, 6) is -107.648250973999
Stats: nIt(DAVIDSON) = 1
-Energy at sites (6, 7) is -107.648250973998
+Energy at sites (6, 7) is -107.648250973999
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.648250973998
+Energy at sites (7, 8) is -107.648250974
******************************************************************
*** Information on right sweep 1 of instruction 0:
-*** Elapsed wall time = 1.511491 seconds
-*** |--> S.join = 0.090173 seconds
-*** |--> S.solve = 0.665946 seconds
-*** |--> S.split = 0.270922 seconds
-*** |--> Tensor update = 0.483449 seconds
-*** |--> create = 0.03097 seconds
-*** |--> destroy = 0.002505 seconds
-*** |--> disk write = 0.034143 seconds
-*** |--> disk read = 0.028644 seconds
-*** |--> calc = 0.387091 seconds
-*** Disk write bandwidth = 17.2200460053809 MB/s
-*** Disk read bandwidth = 20.4566536860632 MB/s
-*** Minimum energy = -107.648250973998
+*** Elapsed wall time = 0.6652 seconds
+*** |--> S.join = 0.035307 seconds
+*** |--> S.solve = 0.287499 seconds
+*** |--> S.split = 0.106415 seconds
+*** |--> Tensor update = 0.235626 seconds
+*** |--> create = 0.016896 seconds
+*** |--> destroy = 0.00222 seconds
+*** |--> disk write = 0.04253 seconds
+*** |--> disk read = 0.010412 seconds
+*** |--> calc = 0.163492 seconds
+*** Disk write bandwidth = 13.824218922213 MB/s
+*** Disk read bandwidth = 56.2774095451012 MB/s
+*** Minimum energy = -107.648250974
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 3.22342515346463e-07
+*** Energy difference with respect to previous leftright sweep = 3.51403542708795e-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 = -107.648250974
+*** Minimum energy encountered during the last sweep = -107.648250974
*** 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
- Stats: nIt(DAVIDSON) = 9
-Energy at sites (6, 7) is -107.648250974
+Energy at sites (8, 9) is -107.648250974
+ Stats: nIt(DAVIDSON) = 7
+Energy at sites (7, 8) is -107.648250974001
+ Stats: nIt(DAVIDSON) = 10
+Energy at sites (6, 7) is -107.648250974002
Stats: nIt(DAVIDSON) = 8
-Energy at sites (5, 6) is -107.648250974
+Energy at sites (5, 6) is -107.648250974003
Stats: nIt(DAVIDSON) = 12
-Energy at sites (4, 5) is -107.648250974005
+Energy at sites (4, 5) is -107.648250974008
Stats: nIt(DAVIDSON) = 12
-Energy at sites (3, 4) is -107.648250974014
+Energy at sites (3, 4) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250974013
******************************************************************
*** Information on left sweep 0 of instruction 1:
-*** Elapsed wall time = 2.678499 seconds
-*** |--> S.join = 0.098433 seconds
-*** |--> S.solve = 1.84655 seconds
-*** |--> S.split = 0.262981 seconds
-*** |--> Tensor update = 0.469933 seconds
-*** |--> create = 0.043118 seconds
-*** |--> destroy = 0.002244 seconds
-*** |--> disk write = 0.028343 seconds
-*** |--> disk read = 0.014564 seconds
-*** |--> calc = 0.381586 seconds
-*** Disk write bandwidth = 20.6739014283454 MB/s
-*** Disk read bandwidth = 40.369680771884 MB/s
-*** Minimum energy = -107.648250974014
+*** Elapsed wall time = 2.432024 seconds
+*** |--> S.join = 0.0512 seconds
+*** |--> S.solve = 1.000001 seconds
+*** |--> S.split = 0.128746 seconds
+*** |--> Tensor update = 1.251376 seconds
+*** |--> create = 0.020258 seconds
+*** |--> destroy = 0.002189 seconds
+*** |--> disk write = 0.913532 seconds
+*** |--> disk read = 0.145133 seconds
+*** |--> calc = 0.170166 seconds
+*** Disk write bandwidth = 0.641422947618248 MB/s
+*** Disk read bandwidth = 4.05107060945284 MB/s
+*** Minimum energy = -107.648250974013
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
@@ -1800,10 +1836,10 @@
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250974013
Stats: nIt(DAVIDSON) = 1
-Energy at sites (3, 4) is -107.648250974013
- Stats: nIt(DAVIDSON) = 8
+Energy at sites (3, 4) is -107.648250974014
+ Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.648250974014
- Stats: nIt(DAVIDSON) = 8
+ Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -107.648250974014
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250974014
@@ -1811,21 +1847,21 @@
Energy at sites (7, 8) is -107.648250974014
******************************************************************
*** Information on right sweep 0 of instruction 1:
-*** Elapsed wall time = 2.226316 seconds
-*** |--> S.join = 0.096694 seconds
-*** |--> S.solve = 0.881327 seconds
-*** |--> S.split = 0.258417 seconds
-*** |--> Tensor update = 0.988571 seconds
-*** |--> create = 0.019249 seconds
-*** |--> destroy = 0.002978 seconds
-*** |--> disk write = 0.446847 seconds
-*** |--> disk read = 0.11874 seconds
-*** |--> calc = 0.400653 seconds
-*** Disk write bandwidth = 1.31576139206869 MB/s
-*** Disk read bandwidth = 4.93481883260564 MB/s
+*** Elapsed wall time = 1.381312 seconds
+*** |--> S.join = 0.049018 seconds
+*** |--> S.solve = 0.399798 seconds
+*** |--> S.split = 0.083514 seconds
+*** |--> Tensor update = 0.847622 seconds
+*** |--> create = 0.018655 seconds
+*** |--> destroy = 0.002048 seconds
+*** |--> disk write = 0.695106 seconds
+*** |--> disk read = 0.024705 seconds
+*** |--> calc = 0.107022 seconds
+*** Disk write bandwidth = 0.845833629348213 MB/s
+*** Disk read bandwidth = 23.7182913654561 MB/s
*** Minimum energy = -107.648250974014
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 1.54329882207094e-11
+*** Energy difference with respect to previous leftright sweep = 1.406874616805e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
@@ -1839,54 +1875,54 @@
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
- Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974014
- NOON of irrep Ag = [ 1.99999530444277 , 1.99487994124689 , 1.98267954076649 ].
- NOON of irrep B2g = [ 0.0748715522847927 ].
- NOON of irrep B3g = [ 0.0748715524905282 ].
- NOON of irrep B1u = [ 1.99999681839215 , 1.98658242701526 , 0.0188079711962473 ].
- NOON of irrep B2u = [ 1.93365744609365 ].
- NOON of irrep B3u = [ 1.93365744607123 ].
- Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009430903451 , 0.0515866789787898 , 0.0764971075279536 , 0.257716818958909 , 0.257716819263407 , 8.47155303036524e-05 , 0.0462800407254299 , 0.100736303190408 , 0.241506019753764 , 0.241506019870701 ].
- Idistance(0) = 1.3093933132183
- Idistance(1) = 5.4240300016908
- Idistance(2) = 26.7355488395921
+ Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974013
+ NOON of irrep Ag = [ 1.99999530444291 , 1.99487994132457 , 1.98267954073295 ].
+ NOON of irrep B2g = [ 0.0748715525084285 ].
+ NOON of irrep B3g = [ 0.0748715521736623 ].
+ NOON of irrep B1u = [ 1.99999681839217 , 1.98658242701436 , 0.018807971287386 ].
+ NOON of irrep B2u = [ 1.93365744598362 ].
+ NOON of irrep B3u = [ 1.93365744613995 ].
+ Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009430334293 , 0.0515866777518474 , 0.0764971077240537 , 0.257716819315168 , 0.25771681878505 , 8.47155302117581e-05 , 0.0462800407749379 , 0.100736303459952 , 0.241506020072368 , 0.241506019681157 ].
+ Idistance(0) = 1.30939331149229
+ Idistance(1) = 5.42402999193373
+ Idistance(2) = 26.7355487842734
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
-*** Elapsed wall time = 1.938802 seconds
-*** |--> MPS gauge change = 0.642199 seconds
-*** |--> Diagram calc = 0.130898 seconds
-*** |--> Tensor update = 1.161067 seconds
-*** |--> create = 0.054264 seconds
-*** |--> destroy = 0.007022 seconds
-*** |--> disk write = 0.0672940000000001 seconds
-*** |--> disk read = 0.043883 seconds
-*** |--> calc = 0.988137 seconds
-*** Disk write bandwidth = 17.6929303022232 MB/s
-*** Disk read bandwidth = 27.131874570057 MB/s
+*** Elapsed wall time = 2.553066 seconds
+*** |--> MPS gauge change = 0.216706 seconds
+*** |--> Diagram calc = 0.051092 seconds
+*** |--> Tensor update = 2.282669 seconds
+*** |--> create = 0.036098 seconds
+*** |--> destroy = 0.004227 seconds
+*** |--> disk write = 1.623738 seconds
+*** |--> disk read = 0.337481 seconds
+*** |--> calc = 0.280908 seconds
+*** Disk write bandwidth = 0.733263649528318 MB/s
+*** Disk read bandwidth = 3.52798543253639 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 = 27.079999 seconds
-FCI::matvec : Wall time = 26.779474 seconds
-FCI::matvec : Wall time = 27.90384 seconds
-FCI::matvec : Wall time = 26.36772 seconds
-FCI::matvec : Wall time = 26.963747 seconds
-FCI::matvec : Wall time = 26.755611 seconds
-FCI::matvec : Wall time = 27.63574 seconds
-FCI::matvec : Wall time = 27.759542 seconds
-FCI::matvec : Wall time = 43.011718 seconds
-FCI::matvec : Wall time = 44.05459 seconds
-FCI::matvec : Wall time = 26.976913 seconds
-FCI::matvec : Wall time = 32.263189 seconds
-FCI::matvec : Wall time = 38.707608 seconds
-FCI::matvec : Wall time = 34.423562 seconds
-FCI::matvec : Wall time = 27.135048 seconds
-FCI::matvec : Wall time = 25.704278 seconds
-FCI::matvec : Wall time = 25.730552 seconds
-FCI::matvec : Wall time = 25.555253 seconds
+FCI::matvec : Wall time = 7.943446 seconds
+FCI::matvec : Wall time = 7.662845 seconds
+FCI::matvec : Wall time = 8.520616 seconds
+FCI::matvec : Wall time = 9.394533 seconds
+FCI::matvec : Wall time = 7.473212 seconds
+FCI::matvec : Wall time = 0.636559 seconds
+FCI::matvec : Wall time = 0.036994 seconds
+FCI::matvec : Wall time = 7.583727 seconds
+FCI::matvec : Wall time = 17.893294 seconds
+FCI::matvec : Wall time = 27.127989 seconds
+FCI::matvec : Wall time = 32.217044 seconds
+FCI::matvec : Wall time = 7.93592 seconds
+FCI::matvec : Wall time = 8.42347 seconds
+FCI::matvec : Wall time = 8.804961 seconds
+FCI::matvec : Wall time = 7.470556 seconds
+FCI::matvec : Wall time = 7.305352 seconds
+FCI::matvec : Wall time = 8.579613 seconds
+FCI::matvec : Wall time = 8.734754 seconds
FCI::GSDavidson : Converged ground state energy = -107.648250974013
-FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = 4.69030783930015e-18 and intended S(S+1) = 0
+FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = 5.44460298150088e-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
@@ -1906,177 +1942,177 @@
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
- Stats: nIt(DAVIDSON) = 10
-Energy at sites (8, 9) is -102.187740743752
- Stats: nIt(DAVIDSON) = 36
-Energy at sites (7, 8) is -106.328793201689
+ Stats: nIt(DAVIDSON) = 14
+Energy at sites (8, 9) is -103.716554248154
+ Stats: nIt(DAVIDSON) = 28
+Energy at sites (7, 8) is -106.338153649343
Stats: nIt(DAVIDSON) = 38
-Energy at sites (6, 7) is -106.680012800691
+Energy at sites (6, 7) is -106.417402172557
Stats: nIt(DAVIDSON) = 60
-Energy at sites (5, 6) is -107.318134435843
- Stats: nIt(DAVIDSON) = 41
-Energy at sites (4, 5) is -107.325632737649
- Stats: nIt(DAVIDSON) = 24
-Energy at sites (3, 4) is -107.328763564801
- Stats: nIt(DAVIDSON) = 9
-Energy at sites (2, 3) is -107.328765261535
+Energy at sites (5, 6) is -107.318448548084
+ Stats: nIt(DAVIDSON) = 48
+Energy at sites (4, 5) is -107.325685461574
+ Stats: nIt(DAVIDSON) = 23
+Energy at sites (3, 4) is -107.328762819084
+ Stats: nIt(DAVIDSON) = 8
+Energy at sites (2, 3) is -107.328764454283
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.328765261535
+Energy at sites (1, 2) is -107.328764454283
******************************************************************
*** Information on left sweep 0 of instruction 0:
-*** Elapsed wall time = 5.960457 seconds
-*** |--> S.join = 0.06678 seconds
-*** |--> S.solve = 5.251837 seconds
-*** |--> S.split = 0.229764 seconds
-*** |--> Tensor update = 0.409875 seconds
-*** |--> create = 0.019251 seconds
-*** |--> destroy = 0.003147 seconds
-*** |--> disk write = 0.034871 seconds
-*** |--> disk read = 0.023563 seconds
-*** |--> calc = 0.328902 seconds
-*** Disk write bandwidth = 24.2271728550631 MB/s
-*** Disk read bandwidth = 35.7001138321335 MB/s
-*** Minimum energy = -107.328765261535
+*** Elapsed wall time = 3.127194 seconds
+*** |--> S.join = 0.024328 seconds
+*** |--> S.solve = 2.43363 seconds
+*** |--> S.split = 0.0760590000000001 seconds
+*** |--> Tensor update = 0.592678 seconds
+*** |--> create = 0.018419 seconds
+*** |--> destroy = 0.001353 seconds
+*** |--> disk write = 0.458771 seconds
+*** |--> disk read = 0.006564 seconds
+*** |--> calc = 0.107531 seconds
+*** Disk write bandwidth = 1.84149770719794 MB/s
+*** Disk read bandwidth = 128.153836414772 MB/s
+*** Minimum energy = -107.328764454283
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (0, 1) is -107.328765261535
+Energy at sites (0, 1) is -107.328764454284
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.328765261535
+Energy at sites (1, 2) is -107.328764454283
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -107.328765261535
+Energy at sites (2, 3) is -107.328764454283
Stats: nIt(DAVIDSON) = 5
-Energy at sites (3, 4) is -107.328765263653
+Energy at sites (3, 4) is -107.328764456373
Stats: nIt(DAVIDSON) = 7
-Energy at sites (4, 5) is -107.32876742109
- Stats: nIt(DAVIDSON) = 6
-Energy at sites (5, 6) is -107.328768892318
+Energy at sites (4, 5) is -107.328766831137
+ Stats: nIt(DAVIDSON) = 9
+Energy at sites (5, 6) is -107.328768890617
Stats: nIt(DAVIDSON) = 1
-Energy at sites (6, 7) is -107.328768892318
+Energy at sites (6, 7) is -107.328768890617
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.328768892318
+Energy at sites (7, 8) is -107.328768890617
******************************************************************
*** Information on right sweep 0 of instruction 0:
-*** Elapsed wall time = 1.654235 seconds
-*** |--> S.join = 0.088984 seconds
-*** |--> S.solve = 0.911791 seconds
-*** |--> S.split = 0.237795 seconds
-*** |--> Tensor update = 0.412148 seconds
-*** |--> create = 0.023803 seconds
-*** |--> destroy = 0.002955 seconds
-*** |--> disk write = 0.022241 seconds
-*** |--> disk read = 0.014277 seconds
-*** |--> calc = 0.348738 seconds
-*** Disk write bandwidth = 37.8221205083657 MB/s
-*** Disk read bandwidth = 59.1738982019266 MB/s
-*** Minimum energy = -107.328768892318
-*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 107.328768892318
+*** Elapsed wall time = 1.113948 seconds
+*** |--> S.join = 0.030474 seconds
+*** |--> S.solve = 0.266036 seconds
+*** |--> S.split = 0.064292 seconds
+*** |--> Tensor update = 0.752425 seconds
+*** |--> create = 0.019078 seconds
+*** |--> destroy = 0.001246 seconds
+*** |--> disk write = 0.339836 seconds
+*** |--> disk read = 0.302818 seconds
+*** |--> calc = 0.089395 seconds
+*** Disk write bandwidth = 2.47531686527196 MB/s
+*** Disk read bandwidth = 2.78987954688594 MB/s
+*** Minimum energy = -107.328768890617
+*** Maximum discarded weight = 0
+*** Energy difference with respect to previous leftright sweep = 107.328768890617
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (8, 9) is -107.328768892318
+Energy at sites (8, 9) is -107.328768890617
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.328768892318
+Energy at sites (7, 8) is -107.328768890617
Stats: nIt(DAVIDSON) = 1
-Energy at sites (6, 7) is -107.328768892318
+Energy at sites (6, 7) is -107.328768890617
Stats: nIt(DAVIDSON) = 1
-Energy at sites (5, 6) is -107.328768892318
+Energy at sites (5, 6) is -107.328768890617
Stats: nIt(DAVIDSON) = 2
-Energy at sites (4, 5) is -107.328768892573
+Energy at sites (4, 5) is -107.328768891001
Stats: nIt(DAVIDSON) = 4
-Energy at sites (3, 4) is -107.328768897997
- Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -107.328768897996
+Energy at sites (3, 4) is -107.328768897987
+ Stats: nIt(DAVIDSON) = 2
+Energy at sites (2, 3) is -107.328768897994
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.328768897997
+Energy at sites (1, 2) is -107.328768897994
******************************************************************
*** Information on left sweep 1 of instruction 0:
-*** Elapsed wall time = 1.334838 seconds
-*** |--> S.join = 0.0846 seconds
-*** |--> S.solve = 0.603278 seconds
-*** |--> S.split = 0.240617 seconds
-*** |--> Tensor update = 0.403632 seconds
-*** |--> create = 0.018217 seconds
-*** |--> destroy = 0.002673 seconds
-*** |--> disk write = 0.032632 seconds
-*** |--> disk read = 0.02422 seconds
-*** |--> calc = 0.325789 seconds
-*** Disk write bandwidth = 25.889487148471 MB/s
-*** Disk read bandwidth = 34.7317003396599 MB/s
-*** Minimum energy = -107.328768897997
+*** Elapsed wall time = 1.067545 seconds
+*** |--> S.join = 0.026398 seconds
+*** |--> S.solve = 0.185679 seconds
+*** |--> S.split = 0.068893 seconds
+*** |--> Tensor update = 0.785801 seconds
+*** |--> create = 0.019715 seconds
+*** |--> destroy = 0.001482 seconds
+*** |--> disk write = 0.667181 seconds
+*** |--> disk read = 0.010234 seconds
+*** |--> calc = 0.08714 seconds
+*** Disk write bandwidth = 1.26626169604486 MB/s
+*** Disk read bandwidth = 82.1967737176629 MB/s
+*** Minimum energy = -107.328768897994
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (0, 1) is -107.328768897997
+Energy at sites (0, 1) is -107.328768897994
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.328768897997
+Energy at sites (1, 2) is -107.328768897994
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -107.328768897997
+Energy at sites (2, 3) is -107.328768897994
Stats: nIt(DAVIDSON) = 1
-Energy at sites (3, 4) is -107.328768897997
+Energy at sites (3, 4) is -107.328768897994
Stats: nIt(DAVIDSON) = 2
-Energy at sites (4, 5) is -107.328768898021
+Energy at sites (4, 5) is -107.328768898022
Stats: nIt(DAVIDSON) = 1
-Energy at sites (5, 6) is -107.328768898021
+Energy at sites (5, 6) is -107.328768898022
Stats: nIt(DAVIDSON) = 1
-Energy at sites (6, 7) is -107.328768898021
+Energy at sites (6, 7) is -107.328768898022
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.328768898021
+Energy at sites (7, 8) is -107.328768898022
******************************************************************
*** Information on right sweep 1 of instruction 0:
-*** Elapsed wall time = 1.302006 seconds
-*** |--> S.join = 0.071684 seconds
-*** |--> S.solve = 0.566392 seconds
-*** |--> S.split = 0.237945 seconds
-*** |--> Tensor update = 0.424015 seconds
-*** |--> create = 0.026231 seconds
-*** |--> destroy = 0.002437 seconds
-*** |--> disk write = 0.022443 seconds
-*** |--> disk read = 0.013271 seconds
-*** |--> calc = 0.35951 seconds
-*** Disk write bandwidth = 37.4816995155087 MB/s
-*** Disk read bandwidth = 63.6595391928947 MB/s
-*** Minimum energy = -107.328768898021
+*** Elapsed wall time = 0.670631 seconds
+*** |--> S.join = 0.022485 seconds
+*** |--> S.solve = 0.200015 seconds
+*** |--> S.split = 0.066382 seconds
+*** |--> Tensor update = 0.379587 seconds
+*** |--> create = 0.018231 seconds
+*** |--> destroy = 0.001174 seconds
+*** |--> disk write = 0.228525 seconds
+*** |--> disk read = 0.039775 seconds
+*** |--> calc = 0.091842 seconds
+*** Disk write bandwidth = 3.6810055014837 MB/s
+*** Disk read bandwidth = 21.2401192867104 MB/s
+*** Minimum energy = -107.328768898022
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 5.70270231037284e-09
+*** Energy difference with respect to previous leftright sweep = 7.40453742764657e-09
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** The total number of reduced MPS variables = 2280
-*** Minimum energy encountered during all instructions = -107.328768898021
-*** Minimum energy encountered during the last sweep = -107.328768898021
+*** Minimum energy encountered during all instructions = -107.328768898022
+*** Minimum energy encountered during the last sweep = -107.328768898022
*** Maximum discarded weight during the last sweep = 0
******************************************************************
- Stats: nIt(DAVIDSON) = 7
-Energy at sites (8, 9) is -107.328768898022
+ Stats: nIt(DAVIDSON) = 8
+Energy at sites (8, 9) is -107.328768898023
Stats: nIt(DAVIDSON) = 10
-Energy at sites (7, 8) is -107.328768898026
+Energy at sites (7, 8) is -107.328768898028
Stats: nIt(DAVIDSON) = 14
-Energy at sites (6, 7) is -107.328768898029
+Energy at sites (6, 7) is -107.328768898032
Stats: nIt(DAVIDSON) = 12
-Energy at sites (5, 6) is -107.328768898029
- Stats: nIt(DAVIDSON) = 12
-Energy at sites (4, 5) is -107.32876889803
- Stats: nIt(DAVIDSON) = 14
-Energy at sites (3, 4) is -107.32876889803
+Energy at sites (5, 6) is -107.328768898032
Stats: nIt(DAVIDSON) = 11
+Energy at sites (4, 5) is -107.328768898032
+ Stats: nIt(DAVIDSON) = 14
+Energy at sites (3, 4) is -107.328768898032
+ Stats: nIt(DAVIDSON) = 9
Energy at sites (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 = 3.093872 seconds
-*** |--> S.join = 0.076411 seconds
-*** |--> S.solve = 2.334995 seconds
-*** |--> S.split = 0.258678 seconds
-*** |--> Tensor update = 0.422557 seconds
-*** |--> create = 0.02231 seconds
-*** |--> destroy = 0.002333 seconds
-*** |--> disk write = 0.019074 seconds
-*** |--> disk read = 0.017404 seconds
-*** |--> calc = 0.361338 seconds
-*** Disk write bandwidth = 44.2920071630967 MB/s
-*** Disk read bandwidth = 48.3338187903104 MB/s
+*** Elapsed wall time = 1.493257 seconds
+*** |--> S.join = 0.031839 seconds
+*** |--> S.solve = 0.753372 seconds
+*** |--> S.split = 0.106398 seconds
+*** |--> Tensor update = 0.596924 seconds
+*** |--> create = 0.020177 seconds
+*** |--> destroy = 0.001727 seconds
+*** |--> disk write = 0.432322 seconds
+*** |--> disk read = 0.02887 seconds
+*** |--> calc = 0.113776 seconds
+*** Disk write bandwidth = 1.95415857770113 MB/s
+*** Disk read bandwidth = 29.1375747220839 MB/s
*** Minimum energy = -107.328768898033
*** Maximum discarded weight = 0
******************************************************************
@@ -2086,33 +2122,33 @@
Energy at sites (1, 2) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768898033
- Stats: nIt(DAVIDSON) = 9
-Energy at sites (3, 4) is -107.328768898033
Stats: nIt(DAVIDSON) = 8
+Energy at sites (3, 4) is -107.328768898033
+ Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.328768898033
- Stats: nIt(DAVIDSON) = 9
-Energy at sites (5, 6) is -107.328768898032
+ Stats: nIt(DAVIDSON) = 7
+Energy at sites (5, 6) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768898033
******************************************************************
*** Information on right sweep 0 of instruction 1:
-*** Elapsed wall time = 1.839742 seconds
-*** |--> S.join = 0.090907 seconds
-*** |--> S.solve = 1.070255 seconds
-*** |--> S.split = 0.247403 seconds
-*** |--> Tensor update = 0.43001 seconds
-*** |--> create = 0.02155 seconds
-*** |--> destroy = 0.006907 seconds
-*** |--> disk write = 0.053698 seconds
-*** |--> disk read = 0.030838 seconds
-*** |--> calc = 0.316893 seconds
-*** Disk write bandwidth = 15.665421099977 MB/s
-*** Disk read bandwidth = 27.3956075176375 MB/s
+*** Elapsed wall time = 0.957562 seconds
+*** |--> S.join = 0.052178 seconds
+*** |--> S.solve = 0.521008 seconds
+*** |--> S.split = 0.12629 seconds
+*** |--> Tensor update = 0.253258 seconds
+*** |--> create = 0.021734 seconds
+*** |--> destroy = 0.001817 seconds
+*** |--> disk write = 0.01628 seconds
+*** |--> disk read = 0.011301 seconds
+*** |--> calc = 0.202047 seconds
+*** Disk write bandwidth = 51.6708711441378 MB/s
+*** Disk read bandwidth = 74.756724593302 MB/s
*** Minimum energy = -107.328768898033
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 1.17950094136177e-11
+*** Energy difference with respect to previous leftright sweep = 1.08570930024143e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
@@ -2127,50 +2163,50 @@
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898032
- NOON of irrep Ag = [ 1.99999672241031 , 1.9957146301458 , 1.98497373605035 ].
- NOON of irrep B2g = [ 0.538989905131272 ].
- NOON of irrep B3g = [ 0.53898990494533 ].
- NOON of irrep B1u = [ 1.99999702947249 , 1.99149890562746 , 0.0194690668358438 ].
- NOON of irrep B2u = [ 1.46518504978467 ].
- NOON of irrep B3u = [ 1.46518504959647 ].
- Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862742428312 , 0.0587089373890422 , 0.055479280975938 , 1.11957630008225 , 1.11957629998325 , 8.52797481725955e-05 , 0.0421718621267771 , 0.105000352891301 , 1.11261995847423 , 1.11261995857662 ].
- Idistance(0) = 4.6018810818645
- Idistance(1) = 17.7825010797584
- Idistance(2) = 85.6947708223859
+ NOON of irrep Ag = [ 1.99999672241061 , 1.99571463016829 , 1.98497373601751 ].
+ NOON of irrep B2g = [ 0.53898990505423 ].
+ NOON of irrep B3g = [ 0.538989905023 ].
+ NOON of irrep B1u = [ 1.99999702947247 , 1.99149890562363 , 0.0194690668496959 ].
+ NOON of irrep B2u = [ 1.4651850497068 ].
+ NOON of irrep B3u = [ 1.46518504967376 ].
+ Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862740511076 , 0.0587089373581831 , 0.0554792811047489 , 1.11957630004101 , 1.11957630002841 , 8.52797482378013e-05 , 0.0421718621519414 , 0.105000352931034 , 1.11261995851976 , 1.11261995853514 ].
+ Idistance(0) = 4.60188108198099
+ Idistance(1) = 17.7825010796344
+ Idistance(2) = 85.694770819617
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
-*** Elapsed wall time = 1.685163 seconds
-*** |--> MPS gauge change = 0.498055 seconds
-*** |--> Diagram calc = 0.098062 seconds
-*** |--> Tensor update = 1.084207 seconds
-*** |--> create = 0.051429 seconds
-*** |--> destroy = 0.005702 seconds
-*** |--> disk write = 0.125532 seconds
-*** |--> disk read = 0.082571 seconds
-*** |--> calc = 0.818622 seconds
-*** Disk write bandwidth = 13.645477095575 MB/s
-*** Disk read bandwidth = 20.7451045858924 MB/s
+*** Elapsed wall time = 0.643698 seconds
+*** |--> MPS gauge change = 0.193608 seconds
+*** |--> Diagram calc = 0.042616 seconds
+*** |--> Tensor update = 0.404078 seconds
+*** |--> create = 0.04271 seconds
+*** |--> destroy = 0.00481800000000001 seconds
+*** |--> disk write = 0.053581 seconds
+*** |--> disk read = 0.02281 seconds
+*** |--> calc = 0.279976 seconds
+*** Disk write bandwidth = 31.9692434027308 MB/s
+*** Disk read bandwidth = 75.0961872319912 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 = 25.19581 seconds
-FCI::matvec : Wall time = 33.755545 seconds
-FCI::matvec : Wall time = 29.403816 seconds
-FCI::matvec : Wall time = 31.635837 seconds
-FCI::matvec : Wall time = 28.603762 seconds
-FCI::matvec : Wall time = 31.487597 seconds
-FCI::matvec : Wall time = 38.859685 seconds
-FCI::matvec : Wall time = 39.759633 seconds
-FCI::matvec : Wall time = 39.451855 seconds
-FCI::matvec : Wall time = 38.203083 seconds
-FCI::matvec : Wall time = 27.97169 seconds
-FCI::matvec : Wall time = 25.831699 seconds
-FCI::matvec : Wall time = 30.039677 seconds
-FCI::matvec : Wall time = 26.62313 seconds
-FCI::matvec : Wall time = 26.85943 seconds
-FCI::matvec : Wall time = 26.175486 seconds
-FCI::matvec : Wall time = 27.347614 seconds
+FCI::matvec : Wall time = 8.466018 seconds
+FCI::matvec : Wall time = 9.250597 seconds
+FCI::matvec : Wall time = 9.271842 seconds
+FCI::matvec : Wall time = 12.461055 seconds
+FCI::matvec : Wall time = 14.131736 seconds
+FCI::matvec : Wall time = 13.335435 seconds
+FCI::matvec : Wall time = 7.59915 seconds
+FCI::matvec : Wall time = 6.827744 seconds
+FCI::matvec : Wall time = 8.443744 seconds
+FCI::matvec : Wall time = 7.220169 seconds
+FCI::matvec : Wall time = 7.832153 seconds
+FCI::matvec : Wall time = 7.691985 seconds
+FCI::matvec : Wall time = 7.616872 seconds
+FCI::matvec : Wall time = 12.383406 seconds
+FCI::matvec : Wall time = 14.319974 seconds
+FCI::matvec : Wall time = 11.759684 seconds
+FCI::matvec : Wall time = 10.075938 seconds
FCI::GSDavidson : Converged ground state energy = -107.328768898033
FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2
Info on DMRG::operators rm call to system: 0
@@ -2192,177 +2228,177 @@
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
- Stats: nIt(DAVIDSON) = 14
-Energy at sites (8, 9) is -104.613650222194
+ Stats: nIt(DAVIDSON) = 11
+Energy at sites (8, 9) is -102.271437493205
+ Stats: nIt(DAVIDSON) = 12
+Energy at sites (7, 8) is -105.669413599908
+ Stats: nIt(DAVIDSON) = 46
+Energy at sites (6, 7) is -106.994467960057
Stats: nIt(DAVIDSON) = 16
-Energy at sites (7, 8) is -106.984379606194
- Stats: nIt(DAVIDSON) = 19
-Energy at sites (6, 7) is -106.994511915358
+Energy at sites (5, 6) is -106.994781179385
+ Stats: nIt(DAVIDSON) = 12
+Energy at sites (4, 5) is -106.996925249969
+ Stats: nIt(DAVIDSON) = 20
+Energy at sites (3, 4) is -106.999142518715
Stats: nIt(DAVIDSON) = 11
-Energy at sites (5, 6) is -106.994607321433
- Stats: nIt(DAVIDSON) = 19
-Energy at sites (4, 5) is -106.996792237033
- Stats: nIt(DAVIDSON) = 13
-Energy at sites (3, 4) is -106.999195384455
- Stats: nIt(DAVIDSON) = 15
-Energy at sites (2, 3) is -107.007871388208
+Energy at sites (2, 3) is -107.007876934806
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.007871388208
+Energy at sites (1, 2) is -107.007876934806
******************************************************************
*** Information on left sweep 0 of instruction 0:
-*** Elapsed wall time = 3.971884 seconds
-*** |--> S.join = 0.090967 seconds
-*** |--> S.solve = 3.126661 seconds
-*** |--> S.split = 0.289679 seconds
-*** |--> Tensor update = 0.462878 seconds
-*** |--> create = 0.025567 seconds
-*** |--> destroy = 0.002206 seconds
-*** |--> disk write = 0.022 seconds
-*** |--> disk read = 0.017566 seconds
-*** |--> calc = 0.395478 seconds
-*** Disk write bandwidth = 8.87680053710938 MB/s
-*** Disk read bandwidth = 11.0558031306483 MB/s
-*** Minimum energy = -107.007871388208
+*** Elapsed wall time = 1.885347 seconds
+*** |--> S.join = 0.025545 seconds
+*** |--> S.solve = 1.097616 seconds
+*** |--> S.split = 0.085959 seconds
+*** |--> Tensor update = 0.675231 seconds
+*** |--> create = 0.015878 seconds
+*** |--> destroy = 0.001709 seconds
+*** |--> disk write = 0.472338 seconds
+*** |--> disk read = 0.066541 seconds
+*** |--> calc = 0.118689 seconds
+*** Disk write bandwidth = 0.413453103109227 MB/s
+*** Disk read bandwidth = 2.91859511869327 MB/s
+*** Minimum energy = -107.007876934806
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (0, 1) is -107.007871388208
+Energy at sites (0, 1) is -107.007876934806
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.007871388208
+Energy at sites (1, 2) is -107.007876934806
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -107.007871388208
+Energy at sites (2, 3) is -107.007876934806
Stats: nIt(DAVIDSON) = 6
-Energy at sites (3, 4) is -107.007871800395
+Energy at sites (3, 4) is -107.007877462472
Stats: nIt(DAVIDSON) = 10
-Energy at sites (4, 5) is -107.007874984329
- Stats: nIt(DAVIDSON) = 10
-Energy at sites (5, 6) is -107.007920337848
- Stats: nIt(DAVIDSON) = 3
-Energy at sites (6, 7) is -107.007920342138
+Energy at sites (4, 5) is -107.007879999248
+ Stats: nIt(DAVIDSON) = 11
+Energy at sites (5, 6) is -107.007920324211
+ Stats: nIt(DAVIDSON) = 2
+Energy at sites (6, 7) is -107.0079203247
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.007920342138
+Energy at sites (7, 8) is -107.0079203247
******************************************************************
*** Information on right sweep 0 of instruction 0:
-*** Elapsed wall time = 2.248233 seconds
-*** |--> S.join = 0.099122 seconds
-*** |--> S.solve = 1.272199 seconds
-*** |--> S.split = 0.269227 seconds
-*** |--> Tensor update = 0.605682 seconds
-*** |--> create = 0.031573 seconds
-*** |--> destroy = 0.002552 seconds
-*** |--> disk write = 0.186156 seconds
-*** |--> disk read = 0.019413 seconds
-*** |--> calc = 0.365899 seconds
-*** Disk write bandwidth = 1.04324457870264 MB/s
-*** Disk read bandwidth = 10.0597337771806 MB/s
-*** Minimum energy = -107.007920342138
-*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 107.007920342138
+*** Elapsed wall time = 1.251206 seconds
+*** |--> S.join = 0.026235 seconds
+*** |--> S.solve = 0.308528 seconds
+*** |--> S.split = 0.065499 seconds
+*** |--> Tensor update = 0.846481 seconds
+*** |--> create = 0.014162 seconds
+*** |--> destroy = 0.001741 seconds
+*** |--> disk write = 0.641533 seconds
+*** |--> disk read = 0.104859 seconds
+*** |--> calc = 0.084112 seconds
+*** Disk write bandwidth = 0.302722132443645 MB/s
+*** Disk read bandwidth = 1.86240200475311 MB/s
+*** Minimum energy = -107.0079203247
+*** Maximum discarded weight = 0
+*** Energy difference with respect to previous leftright sweep = 107.0079203247
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (8, 9) is -107.007920342138
+Energy at sites (8, 9) is -107.0079203247
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.007920342138
+Energy at sites (7, 8) is -107.0079203247
Stats: nIt(DAVIDSON) = 1
-Energy at sites (6, 7) is -107.007920342138
- Stats: nIt(DAVIDSON) = 2
-Energy at sites (5, 6) is -107.007920342198
+Energy at sites (6, 7) is -107.0079203247
+ Stats: nIt(DAVIDSON) = 1
+Energy at sites (5, 6) is -107.0079203247
Stats: nIt(DAVIDSON) = 3
-Energy at sites (4, 5) is -107.007920363478
+Energy at sites (4, 5) is -107.007920338676
Stats: nIt(DAVIDSON) = 5
-Energy at sites (3, 4) is -107.007920420141
+Energy at sites (3, 4) is -107.007920398389
Stats: nIt(DAVIDSON) = 4
-Energy at sites (2, 3) is -107.007920596956
+Energy at sites (2, 3) is -107.007920596638
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.007920596956
+Energy at sites (1, 2) is -107.007920596638
******************************************************************
*** Information on left sweep 1 of instruction 0:
-*** Elapsed wall time = 2.338587 seconds
-*** |--> S.join = 0.116829 seconds
-*** |--> S.solve = 0.92357 seconds
-*** |--> S.split = 0.305369 seconds
-*** |--> Tensor update = 0.991285 seconds
-*** |--> create = 0.025066 seconds
-*** |--> destroy = 0.002893 seconds
-*** |--> disk write = 0.519494 seconds
-*** |--> disk read = 0.030887 seconds
-*** |--> calc = 0.412698 seconds
-*** Disk write bandwidth = 0.375922747551283 MB/s
-*** Disk read bandwidth = 6.28763679842551 MB/s
-*** Minimum energy = -107.007920596956
+*** Elapsed wall time = 0.976082 seconds
+*** |--> S.join = 0.0277 seconds
+*** |--> S.solve = 0.393251 seconds
+*** |--> S.split = 0.079342 seconds
+*** |--> Tensor update = 0.475063 seconds
+*** |--> create = 0.016205 seconds
+*** |--> destroy = 0.002216 seconds
+*** |--> disk write = 0.349201 seconds
+*** |--> disk read = 0.016127 seconds
+*** |--> calc = 0.0912400000000001 seconds
+*** Disk write bandwidth = 0.559247000485125 MB/s
+*** Disk read bandwidth = 12.0423040734773 MB/s
+*** Minimum energy = -107.007920596638
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (0, 1) is -107.007920596956
+Energy at sites (0, 1) is -107.007920596638
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.007920596956
+Energy at sites (1, 2) is -107.007920596638
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -107.007920596956
- Stats: nIt(DAVIDSON) = 2
-Energy at sites (3, 4) is -107.007920597055
+Energy at sites (2, 3) is -107.007920596638
Stats: nIt(DAVIDSON) = 2
-Energy at sites (4, 5) is -107.00792059709
+Energy at sites (3, 4) is -107.007920596748
Stats: nIt(DAVIDSON) = 2
-Energy at sites (5, 6) is -107.007920599371
- Stats: nIt(DAVIDSON) = 2
-Energy at sites (6, 7) is -107.007920599401
+Energy at sites (4, 5) is -107.007920596778
+ Stats: nIt(DAVIDSON) = 3
+Energy at sites (5, 6) is -107.007920599395
+ Stats: nIt(DAVIDSON) = 1
+Energy at sites (6, 7) is -107.007920599394
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.007920599401
+Energy at sites (7, 8) is -107.007920599394
******************************************************************
*** Information on right sweep 1 of instruction 0:
-*** Elapsed wall time = 1.521856 seconds
-*** |--> S.join = 0.074096 seconds
-*** |--> S.solve = 0.67688 seconds
-*** |--> S.split = 0.239681 seconds
-*** |--> Tensor update = 0.525935 seconds
-*** |--> create = 0.022478 seconds
-*** |--> destroy = 0.002565 seconds
-*** |--> disk write = 0.0985220000000001 seconds
-*** |--> disk read = 0.016458 seconds
-*** |--> calc = 0.385808 seconds
-*** Disk write bandwidth = 1.97119666463296 MB/s
-*** Disk read bandwidth = 11.8659382559489 MB/s
-*** Minimum energy = -107.007920599401
+*** Elapsed wall time = 0.866226 seconds
+*** |--> S.join = 0.026776 seconds
+*** |--> S.solve = 0.212021 seconds
+*** |--> S.split = 0.075652 seconds
+*** |--> Tensor update = 0.549223 seconds
+*** |--> create = 0.015367 seconds
+*** |--> destroy = 0.001905 seconds
+*** |--> disk write = 0.391559 seconds
+*** |--> disk read = 0.059621 seconds
+*** |--> calc = 0.080708 seconds
+*** Disk write bandwidth = 0.495982055815264 MB/s
+*** Disk read bandwidth = 3.27551721400859 MB/s
+*** Minimum energy = -107.007920599395
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 2.57263337744007e-07
+*** Energy difference with respect to previous leftright sweep = 2.74694656354768e-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 = -107.007920599401
-*** Minimum energy encountered during the last sweep = -107.007920599401
+*** Minimum energy encountered during all instructions = -107.007920599395
+*** Minimum energy encountered during the last sweep = -107.007920599395
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 7
-Energy at sites (8, 9) is -107.007920599401
+Energy at sites (8, 9) is -107.007920599395
Stats: nIt(DAVIDSON) = 8
-Energy at sites (7, 8) is -107.007920599403
- Stats: nIt(DAVIDSON) = 14
-Energy at sites (6, 7) is -107.007920599404
- Stats: nIt(DAVIDSON) = 14
-Energy at sites (5, 6) is -107.007920599407
+Energy at sites (7, 8) is -107.007920599398
+ Stats: nIt(DAVIDSON) = 13
+Energy at sites (6, 7) is -107.007920599401
Stats: nIt(DAVIDSON) = 12
-Energy at sites (4, 5) is -107.007920599407
+Energy at sites (5, 6) is -107.007920599401
+ Stats: nIt(DAVIDSON) = 12
+Energy at sites (4, 5) is -107.007920599401
Stats: nIt(DAVIDSON) = 11
-Energy at sites (3, 4) is -107.007920599408
+Energy at sites (3, 4) is -107.007920599401
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 = 3.008723 seconds
-*** |--> S.join = 0.086227 seconds
-*** |--> S.solve = 2.235448 seconds
-*** |--> S.split = 0.265438 seconds
-*** |--> Tensor update = 0.420656 seconds
-*** |--> create = 0.019617 seconds
-*** |--> destroy = 0.002482 seconds
-*** |--> disk write = 0.017232 seconds
-*** |--> disk read = 0.013189 seconds
-*** |--> calc = 0.368041 seconds
-*** Disk write bandwidth = 11.3329626170152 MB/s
-*** Disk read bandwidth = 14.7248644926051 MB/s
+*** Elapsed wall time = 1.22737 seconds
+*** |--> S.join = 0.034484 seconds
+*** |--> S.solve = 0.621427 seconds
+*** |--> S.split = 0.073892 seconds
+*** |--> Tensor update = 0.495342 seconds
+*** |--> create = 0.01571 seconds
+*** |--> destroy = 0.001825 seconds
+*** |--> disk write = 0.355217 seconds
+*** |--> disk read = 0.015779 seconds
+*** |--> calc = 0.106753 seconds
+*** Disk write bandwidth = 0.549775522614082 MB/s
+*** Disk read bandwidth = 12.3078926289986 MB/s
*** Minimum energy = -107.007920599438
*** Maximum discarded weight = 0
******************************************************************
@@ -2374,31 +2410,31 @@
Energy at sites (2, 3) is -107.007920599438
Stats: nIt(DAVIDSON) = 9
Energy at sites (3, 4) is -107.007920599438
- Stats: nIt(DAVIDSON) = 11
-Energy at sites (4, 5) is -107.007920599438
- Stats: nIt(DAVIDSON) = 12
-Energy at sites (5, 6) is -107.007920599438
Stats: nIt(DAVIDSON) = 10
+Energy at sites (4, 5) is -107.007920599438
+ Stats: nIt(DAVIDSON) = 13
+Energy at sites (5, 6) is -107.007920599439
+ Stats: nIt(DAVIDSON) = 7
Energy at sites (6, 7) is -107.007920599439
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599439
******************************************************************
*** Information on right sweep 0 of instruction 1:
-*** Elapsed wall time = 2.484489 seconds
-*** |--> S.join = 0.093798 seconds
-*** |--> S.solve = 1.508793 seconds
-*** |--> S.split = 0.234563 seconds
-*** |--> Tensor update = 0.646423 seconds
-*** |--> create = 0.018614 seconds
-*** |--> destroy = 0.002499 seconds
-*** |--> disk write = 0.241726 seconds
-*** |--> disk read = 0.018486 seconds
-*** |--> calc = 0.365016 seconds
-*** Disk write bandwidth = 0.803414766276564 MB/s
-*** Disk read bandwidth = 10.5641897552962 MB/s
+*** Elapsed wall time = 0.781094 seconds
+*** |--> S.join = 0.031041 seconds
+*** |--> S.solve = 0.420795 seconds
+*** |--> S.split = 0.096224 seconds
+*** |--> Tensor update = 0.232101 seconds
+*** |--> create = 0.015415 seconds
+*** |--> destroy = 0.001784 seconds
+*** |--> disk write = 0.078146 seconds
+*** |--> disk read = 0.007737 seconds
+*** |--> calc = 0.128955 seconds
+*** Disk write bandwidth = 2.48517182956221 MB/s
+*** Disk read bandwidth = 25.2409993300254 MB/s
*** Minimum energy = -107.007920599439
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 3.74598130292725e-11
+*** Energy difference with respect to previous leftright sweep = 4.43094450019998e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
@@ -2413,45 +2449,45 @@
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439
- NOON of irrep Ag = [ 1.99999761728614 , 1.99817458663226 , 1.99099529651953 ].
- NOON of irrep B2g = [ 0.999157310940359 ].
- NOON of irrep B3g = [ 0.999157311029505 ].
- NOON of irrep B1u = [ 1.99999763398149 , 1.99356772579387 , 0.0151843205850674 ].
- NOON of irrep B2u = [ 1.00188409856455 ].
- NOON of irrep B3u = [ 1.00188409866722 ].
- Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624923531207e-05 , 0.0439795105833369 , 0.0191227066506797 , 0.710073263510541 , 0.710073262867294 , 0.000114194275494149 , 0.0501988280862413 , 0.0847680579425143 , 0.709393186063682 , 0.70939318667701 ].
- Idistance(0) = 1.96740724184743
- Idistance(1) = 7.24682977342494
- Idistance(2) = 34.6048710097628
+ NOON of irrep Ag = [ 1.99999761728578 , 1.99817458701956 , 1.99099529637171 ].
+ NOON of irrep B2g = [ 0.999157310963662 ].
+ NOON of irrep B3g = [ 0.999157310993756 ].
+ NOON of irrep B1u = [ 1.99999763398152 , 1.99356772577862 , 0.0151843203725106 ].
+ NOON of irrep B2u = [ 1.0018840986001 ].
+ NOON of irrep B3u = [ 1.00188409863278 ].
+ Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624937865861e-05 , 0.043979512361804 , 0.0191227049828272 , 0.710073263308222 , 0.710073263111753 , 0.000114194275560263 , 0.0501988278055758 , 0.0847680570412214 , 0.70939318630106 , 0.70939318648814 ].
+ Idistance(0) = 1.96740724032621
+ Idistance(1) = 7.24682976678503
+ Idistance(2) = 34.6048709897088
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
-*** Elapsed wall time = 2.576042 seconds
-*** |--> MPS gauge change = 0.541526 seconds
-*** |--> Diagram calc = 0.092789 seconds
-*** |--> Tensor update = 1.939294 seconds
-*** |--> create = 0.039499 seconds
-*** |--> destroy = 0.013869 seconds
-*** |--> disk write = 0.738437 seconds
-*** |--> disk read = 0.308726 seconds
-*** |--> calc = 0.838391 seconds
-*** Disk write bandwidth = 0.554146901744623 MB/s
-*** Disk read bandwidth = 1.32545550320865 MB/s
+*** Elapsed wall time = 1.215072 seconds
+*** |--> MPS gauge change = 0.210989 seconds
+*** |--> Diagram calc = 0.044372 seconds
+*** |--> Tensor update = 0.958582 seconds
+*** |--> create = 0.03638 seconds
+*** |--> destroy = 0.003684 seconds
+*** |--> disk write = 0.626326 seconds
+*** |--> disk read = 0.0171 seconds
+*** |--> calc = 0.274907 seconds
+*** Disk write bandwidth = 0.653337999194659 MB/s
+*** Disk read bandwidth = 23.9299751861751 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 = 18.860037 seconds
-FCI::matvec : Wall time = 21.272646 seconds
-FCI::matvec : Wall time = 24.109524 seconds
-FCI::matvec : Wall time = 24.695792 seconds
-FCI::matvec : Wall time = 20.627906 seconds
-FCI::matvec : Wall time = 24.359446 seconds
-FCI::matvec : Wall time = 11.467239 seconds
-FCI::matvec : Wall time = 0.029586 seconds
-FCI::matvec : Wall time = 0.0206 seconds
-FCI::matvec : Wall time = 15.11015 seconds
-FCI::matvec : Wall time = 19.383252 seconds
-FCI::matvec : Wall time = 9.198683 seconds
+FCI::matvec : Wall time = 5.130039 seconds
+FCI::matvec : Wall time = 5.245644 seconds
+FCI::matvec : Wall time = 6.641428 seconds
+FCI::matvec : Wall time = 6.236998 seconds
+FCI::matvec : Wall time = 5.381882 seconds
+FCI::matvec : Wall time = 5.401383 seconds
+FCI::matvec : Wall time = 5.677126 seconds
+FCI::matvec : Wall time = 7.07978 seconds
+FCI::matvec : Wall time = 5.276678 seconds
+FCI::matvec : Wall time = 5.207824 seconds
+FCI::matvec : Wall time = 5.146897 seconds
+FCI::matvec : Wall time = 5.089879 seconds
FCI::GSDavidson : Converged ground state energy = -107.007920599439
FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000001 and intended S(S+1) = 6
Info on DMRG::operators rm call to system: 0
@@ -2473,292 +2509,292 @@
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 -103.195675497424
- Stats: nIt(DAVIDSON) = 22
-Energy at sites (7, 8) is -105.795122458629
- Stats: nIt(DAVIDSON) = 59
-Energy at sites (6, 7) is -105.908547907226
- Stats: nIt(DAVIDSON) = 55
-Energy at sites (5, 6) is -105.915028957106
- Stats: nIt(DAVIDSON) = 48
-Energy at sites (4, 5) is -106.112786992847
- Stats: nIt(DAVIDSON) = 39
-Energy at sites (3, 4) is -106.13943384958
+ Stats: nIt(DAVIDSON) = 14
+Energy at sites (8, 9) is -103.185842237377
+ Stats: nIt(DAVIDSON) = 24
+Energy at sites (7, 8) is -105.793483211621
+ Stats: nIt(DAVIDSON) = 58
+Energy at sites (6, 7) is -105.903463104383
+ Stats: nIt(DAVIDSON) = 47
+Energy at sites (5, 6) is -105.924910976433
+ Stats: nIt(DAVIDSON) = 40
+Energy at sites (4, 5) is -106.146603670697
+ Stats: nIt(DAVIDSON) = 31
+Energy at sites (3, 4) is -106.159679530727
Stats: nIt(DAVIDSON) = 4
-Energy at sites (2, 3) is -106.13943387602
+Energy at sites (2, 3) is -106.159679642199
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -106.13943387602
+Energy at sites (1, 2) is -106.159679642199
******************************************************************
*** Information on left sweep 0 of instruction 0:
-*** Elapsed wall time = 4.912253 seconds
-*** |--> S.join = 0.052389 seconds
-*** |--> S.solve = 4.125417 seconds
-*** |--> S.split = 0.164705 seconds
-*** |--> Tensor update = 0.568482 seconds
-*** |--> create = 0.0188970000000001 seconds
-*** |--> destroy = 0.002495 seconds
-*** |--> disk write = 0.288194 seconds
-*** |--> disk read = 0.017827 seconds
-*** |--> calc = 0.240979 seconds
-*** Disk write bandwidth = 0.700425826033202 MB/s
-*** Disk read bandwidth = 11.2624191666784 MB/s
-*** Minimum energy = -106.13943387602
+*** Elapsed wall time = 2.621445 seconds
+*** |--> S.join = 0.018871 seconds
+*** |--> S.solve = 1.527892 seconds
+*** |--> S.split = 0.065249 seconds
+*** |--> Tensor update = 1.00894 seconds
+*** |--> create = 0.015656 seconds
+*** |--> destroy = 0.001828 seconds
+*** |--> disk write = 0.650065 seconds
+*** |--> disk read = 0.230469 seconds
+*** |--> calc = 0.110865 seconds
+*** Disk write bandwidth = 0.310520517960223 MB/s
+*** Disk read bandwidth = 0.871159012641071 MB/s
+*** Minimum energy = -106.159679642199
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (0, 1) is -106.13943387602
+Energy at sites (0, 1) is -106.159679642199
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -106.13943387602
+Energy at sites (1, 2) is -106.159679642199
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -106.13943387602
+Energy at sites (2, 3) is -106.159679642199
Stats: nIt(DAVIDSON) = 1
-Energy at sites (3, 4) is -106.13943387602
- Stats: nIt(DAVIDSON) = 9
-Energy at sites (4, 5) is -106.139618297143
- Stats: nIt(DAVIDSON) = 11
-Energy at sites (5, 6) is -106.191368311744
+Energy at sites (3, 4) is -106.159679642199
+ Stats: nIt(DAVIDSON) = 10
+Energy at sites (4, 5) is -106.159736777815
+ Stats: nIt(DAVIDSON) = 12
+Energy at sites (5, 6) is -106.190726317847
Stats: nIt(DAVIDSON) = 2
-Energy at sites (6, 7) is -106.191368312919
+Energy at sites (6, 7) is -106.190726319008
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -106.191368312919
+Energy at sites (7, 8) is -106.190726319008
******************************************************************
*** Information on right sweep 0 of instruction 0:
-*** Elapsed wall time = 2.034456 seconds
-*** |--> S.join = 0.087264 seconds
-*** |--> S.solve = 0.978201 seconds
-*** |--> S.split = 0.22201 seconds
-*** |--> Tensor update = 0.746145 seconds
-*** |--> create = 0.017798 seconds
-*** |--> destroy = 0.002446 seconds
-*** |--> disk write = 0.276381 seconds
-*** |--> disk read = 0.107615 seconds
-*** |--> calc = 0.341789 seconds
-*** Disk write bandwidth = 0.726443375211664 MB/s
-*** Disk read bandwidth = 1.87574706600207 MB/s
-*** Minimum energy = -106.191368312919
-*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 106.191368312919
+*** Elapsed wall time = 1.737495 seconds
+*** |--> S.join = 0.025173 seconds
+*** |--> S.solve = 0.31994 seconds
+*** |--> S.split = 0.062712 seconds
+*** |--> Tensor update = 1.329129 seconds
+*** |--> create = 0.016309 seconds
+*** |--> destroy = 0.001865 seconds
+*** |--> disk write = 1.067656 seconds
+*** |--> disk read = 0.140034 seconds
+*** |--> calc = 0.103198 seconds
+*** Disk write bandwidth = 0.18805228133816 MB/s
+*** Disk read bandwidth = 1.44149649733502 MB/s
+*** Minimum energy = -106.190726319008
+*** Maximum discarded weight = 0
+*** Energy difference with respect to previous leftright sweep = 106.190726319008
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (8, 9) is -106.191368312919
+Energy at sites (8, 9) is -106.190726319008
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -106.191368312919
+Energy at sites (7, 8) is -106.190726319008
Stats: nIt(DAVIDSON) = 1
-Energy at sites (6, 7) is -106.191368312919
+Energy at sites (6, 7) is -106.190726319008
Stats: nIt(DAVIDSON) = 1
-Energy at sites (5, 6) is -106.191368312919
- Stats: nIt(DAVIDSON) = 9
-Energy at sites (4, 5) is -106.191432239783
- Stats: nIt(DAVIDSON) = 9
-Energy at sites (3, 4) is -106.191465291772
+Energy at sites (5, 6) is -106.190726319008
+ Stats: nIt(DAVIDSON) = 10
+Energy at sites (4, 5) is -106.191215247666
+ Stats: nIt(DAVIDSON) = 10
+Energy at sites (3, 4) is -106.191452923846
Stats: nIt(DAVIDSON) = 3
-Energy at sites (2, 3) is -106.19146529738
+Energy at sites (2, 3) is -106.191452927092
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -106.19146529738
+Energy at sites (1, 2) is -106.191452927092
******************************************************************
*** Information on left sweep 1 of instruction 0:
-*** Elapsed wall time = 1.746272 seconds
-*** |--> S.join = 0.088134 seconds
-*** |--> S.solve = 0.997444 seconds
-*** |--> S.split = 0.246532 seconds
-*** |--> Tensor update = 0.412184 seconds
-*** |--> create = 0.022707 seconds
-*** |--> destroy = 0.002663 seconds
-*** |--> disk write = 0.026392 seconds
-*** |--> disk read = 0.026141 seconds
-*** |--> calc = 0.334192 seconds
-*** Disk write bandwidth = 7.64847379917447 MB/s
-*** Disk read bandwidth = 7.68046924311905 MB/s
-*** Minimum energy = -106.19146529738
+*** Elapsed wall time = 1.463991 seconds
+*** |--> S.join = 0.035531 seconds
+*** |--> S.solve = 0.307309 seconds
+*** |--> S.split = 0.072106 seconds
+*** |--> Tensor update = 1.048649 seconds
+*** |--> create = 0.015285 seconds
+*** |--> destroy = 0.001741 seconds
+*** |--> disk write = 0.772455 seconds
+*** |--> disk read = 0.166539 seconds
+*** |--> calc = 0.09257 seconds
+*** Disk write bandwidth = 0.261320750733457 MB/s
+*** Disk read bandwidth = 1.20557434885748 MB/s
+*** Minimum energy = -106.191452927092
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (0, 1) is -106.19146529738
+Energy at sites (0, 1) is -106.191452927092
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -106.19146529738
+Energy at sites (1, 2) is -106.191452927092
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -106.19146529738
+Energy at sites (2, 3) is -106.191452927092
Stats: nIt(DAVIDSON) = 1
-Energy at sites (3, 4) is -106.19146529738
- Stats: nIt(DAVIDSON) = 4
-Energy at sites (4, 5) is -106.191465318138
- Stats: nIt(DAVIDSON) = 9
-Energy at sites (5, 6) is -106.191466499518
+Energy at sites (3, 4) is -106.191452927092
+ Stats: nIt(DAVIDSON) = 5
+Energy at sites (4, 5) is -106.191453019739
+ Stats: nIt(DAVIDSON) = 11
+Energy at sites (5, 6) is -106.191466403991
Stats: nIt(DAVIDSON) = 2
-Energy at sites (6, 7) is -106.191466499551
+Energy at sites (6, 7) is -106.191466404163
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -106.191466499551
+Energy at sites (7, 8) is -106.191466404163
******************************************************************
*** Information on right sweep 1 of instruction 0:
-*** Elapsed wall time = 1.506377 seconds
-*** |--> S.join = 0.070689 seconds
-*** |--> S.solve = 0.693871 seconds
-*** |--> S.split = 0.219115 seconds
-*** |--> Tensor update = 0.520837 seconds
-*** |--> create = 0.0229650000000001 seconds
-*** |--> destroy = 0.002499 seconds
-*** |--> disk write = 0.07866 seconds
-*** |--> disk read = 0.098229 seconds
-*** |--> calc = 0.318391 seconds
-*** Disk write bandwidth = 2.55244274706808 MB/s
-*** Disk read bandwidth = 2.05497888106173 MB/s
-*** Minimum energy = -106.191466499551
+*** Elapsed wall time = 2.270079 seconds
+*** |--> S.join = 0.026315 seconds
+*** |--> S.solve = 0.297994 seconds
+*** |--> S.split = 0.068915 seconds
+*** |--> Tensor update = 1.876416 seconds
+*** |--> create = 0.015029 seconds
+*** |--> destroy = 0.001726 seconds
+*** |--> disk write = 1.594446 seconds
+*** |--> disk read = 0.173661 seconds
+*** |--> calc = 0.091494 seconds
+*** Disk write bandwidth = 0.125921571808876 MB/s
+*** Disk read bandwidth = 1.16237105917743 MB/s
+*** Minimum energy = -106.191466404163
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 9.81866318170432e-05
+*** Energy difference with respect to previous leftright sweep = 0.00074008515534274
******************************************************************
*** 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 = -106.191466499551
-*** Minimum energy encountered during the last sweep = -106.191466499551
+*** Minimum energy encountered during all instructions = -106.191466404163
+*** Minimum energy encountered during the last sweep = -106.191466404163
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 8
-Energy at sites (8, 9) is -106.191466499551
+Energy at sites (8, 9) is -106.191466404163
+ Stats: nIt(DAVIDSON) = 9
+Energy at sites (7, 8) is -106.191466404164
Stats: nIt(DAVIDSON) = 10
-Energy at sites (7, 8) is -106.191466499551
- Stats: nIt(DAVIDSON) = 8
-Energy at sites (6, 7) is -106.191466499551
+Energy at sites (6, 7) is -106.191466404164
Stats: nIt(DAVIDSON) = 13
-Energy at sites (5, 6) is -106.191466499554
- Stats: nIt(DAVIDSON) = 17
-Energy at sites (4, 5) is -106.191466563929
+Energy at sites (5, 6) is -106.191466404164
Stats: nIt(DAVIDSON) = 17
-Energy at sites (3, 4) is -106.191466570504
- Stats: nIt(DAVIDSON) = 8
-Energy at sites (2, 3) is -106.191466570504
+Energy at sites (4, 5) is -106.191466484632
+ Stats: nIt(DAVIDSON) = 16
+Energy at sites (3, 4) is -106.191466567534
+ Stats: nIt(DAVIDSON) = 9
+Energy at sites (2, 3) is -106.191466567541
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -106.191466570504
+Energy at sites (1, 2) is -106.191466567541
******************************************************************
*** Information on left sweep 0 of instruction 1:
-*** Elapsed wall time = 2.419782 seconds
-*** |--> S.join = 0.057492 seconds
-*** |--> S.solve = 1.729852 seconds
-*** |--> S.split = 0.187264 seconds
-*** |--> Tensor update = 0.444089 seconds
-*** |--> create = 0.018512 seconds
-*** |--> destroy = 0.002385 seconds
-*** |--> disk write = 0.11839 seconds
-*** |--> disk read = 0.013404 seconds
-*** |--> calc = 0.291333 seconds
-*** Disk write bandwidth = 1.70503015886319 MB/s
-*** Disk read bandwidth = 14.9787486186493 MB/s
-*** Minimum energy = -106.191466570504
+*** Elapsed wall time = 2.175316 seconds
+*** |--> S.join = 0.036658 seconds
+*** |--> S.solve = 0.894659 seconds
+*** |--> S.split = 0.087877 seconds
+*** |--> Tensor update = 1.155367 seconds
+*** |--> create = 0.016453 seconds
+*** |--> destroy = 0.001766 seconds
+*** |--> disk write = 0.971654 seconds
+*** |--> disk read = 0.059392 seconds
+*** |--> calc = 0.106035 seconds
+*** Disk write bandwidth = 0.207747326216753 MB/s
+*** Disk read bandwidth = 3.38050825842496 MB/s
+*** Minimum energy = -106.191466567541
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (0, 1) is -106.191466570504
+Energy at sites (0, 1) is -106.191466567541
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -106.191466570504
+Energy at sites (1, 2) is -106.191466567541
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -106.191466570504
+Energy at sites (2, 3) is -106.191466567541
+ Stats: nIt(DAVIDSON) = 6
+Energy at sites (3, 4) is -106.191466567541
+ Stats: nIt(DAVIDSON) = 14
+Energy at sites (4, 5) is -106.191466567569
+ Stats: nIt(DAVIDSON) = 19
+Energy at sites (5, 6) is -106.191466575477
Stats: nIt(DAVIDSON) = 4
-Energy at sites (3, 4) is -106.191466570504
- Stats: nIt(DAVIDSON) = 12
-Energy at sites (4, 5) is -106.191466570506
- Stats: nIt(DAVIDSON) = 18
-Energy at sites (5, 6) is -106.191466575554
- Stats: nIt(DAVIDSON) = 3
-Energy at sites (6, 7) is -106.191466575554
+Energy at sites (6, 7) is -106.191466575477
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -106.191466575554
+Energy at sites (7, 8) is -106.191466575477
******************************************************************
*** Information on right sweep 0 of instruction 1:
-*** Elapsed wall time = 1.974083 seconds
-*** |--> S.join = 0.085013 seconds
-*** |--> S.solve = 1.115552 seconds
-*** |--> S.split = 0.248558 seconds
-*** |--> Tensor update = 0.523376 seconds
-*** |--> create = 0.018463 seconds
-*** |--> destroy = 0.002742 seconds
-*** |--> disk write = 0.166601 seconds
-*** |--> disk read = 0.015022 seconds
-*** |--> calc = 0.320396 seconds
-*** Disk write bandwidth = 1.20512569843143 MB/s
-*** Disk read bandwidth = 13.4375263285723 MB/s
-*** Minimum energy = -106.191466575554
+*** Elapsed wall time = 1.808243 seconds
+*** |--> S.join = 0.03177 seconds
+*** |--> S.solve = 0.493812 seconds
+*** |--> S.split = 0.080637 seconds
+*** |--> Tensor update = 1.201496 seconds
+*** |--> create = 0.015195 seconds
+*** |--> destroy = 0.001702 seconds
+*** |--> disk write = 0.736335 seconds
+*** |--> disk read = 0.336879 seconds
+*** |--> calc = 0.11131 seconds
+*** Disk write bandwidth = 0.272668210100532 MB/s
+*** Disk read bandwidth = 0.599201851429779 MB/s
+*** Minimum energy = -106.191466575477
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 7.60032037305791e-08
+*** Energy difference with respect to previous leftright sweep = 1.71313331520651e-07
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (8, 9) is -106.191466575554
+Energy at sites (8, 9) is -106.191466575477
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -106.191466575554
+Energy at sites (7, 8) is -106.191466575477
Stats: nIt(DAVIDSON) = 1
-Energy at sites (6, 7) is -106.191466575554
+Energy at sites (6, 7) is -106.191466575477
Stats: nIt(DAVIDSON) = 2
-Energy at sites (5, 6) is -106.191466575554
+Energy at sites (5, 6) is -106.191466575477
Stats: nIt(DAVIDSON) = 15
-Energy at sites (4, 5) is -106.191466575897
- Stats: nIt(DAVIDSON) = 14
-Energy at sites (3, 4) is -106.191466575921
+Energy at sites (4, 5) is -106.19146657566
+ Stats: nIt(DAVIDSON) = 15
+Energy at sites (3, 4) is -106.191466575922
Stats: nIt(DAVIDSON) = 5
-Energy at sites (2, 3) is -106.191466575921
+Energy at sites (2, 3) is -106.191466575922
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -106.191466575921
+Energy at sites (1, 2) is -106.191466575922
******************************************************************
*** Information on left sweep 1 of instruction 1:
-*** Elapsed wall time = 1.874987 seconds
-*** |--> S.join = 0.074342 seconds
-*** |--> S.solve = 1.133627 seconds
-*** |--> S.split = 0.212796 seconds
-*** |--> Tensor update = 0.452724 seconds
-*** |--> create = 0.018612 seconds
-*** |--> destroy = 0.002557 seconds
-*** |--> disk write = 0.085639 seconds
-*** |--> disk read = 0.018636 seconds
-*** |--> calc = 0.327182 seconds
-*** Disk write bandwidth = 2.35708638012836 MB/s
-*** Disk read bandwidth = 10.7735107579081 MB/s
-*** Minimum energy = -106.191466575921
+*** Elapsed wall time = 1.430406 seconds
+*** |--> S.join = 0.032537 seconds
+*** |--> S.solve = 0.440503 seconds
+*** |--> S.split = 0.080999 seconds
+*** |--> Tensor update = 0.875378 seconds
+*** |--> create = 0.016076 seconds
+*** |--> destroy = 0.00205 seconds
+*** |--> disk write = 0.570727 seconds
+*** |--> disk read = 0.164848 seconds
+*** |--> calc = 0.121604 seconds
+*** Disk write bandwidth = 0.353686649672808 MB/s
+*** Disk read bandwidth = 1.21794105166199 MB/s
+*** Minimum energy = -106.191466575922
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (0, 1) is -106.191466575921
+Energy at sites (0, 1) is -106.191466575922
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -106.191466575921
+Energy at sites (1, 2) is -106.191466575922
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -106.191466575921
+Energy at sites (2, 3) is -106.191466575922
Stats: nIt(DAVIDSON) = 2
-Energy at sites (3, 4) is -106.191466575921
- Stats: nIt(DAVIDSON) = 9
-Energy at sites (4, 5) is -106.191466575921
+Energy at sites (3, 4) is -106.191466575922
+ Stats: nIt(DAVIDSON) = 10
+Energy at sites (4, 5) is -106.191466575922
Stats: nIt(DAVIDSON) = 15
Energy at sites (5, 6) is -106.191466575948
Stats: nIt(DAVIDSON) = 3
-Energy at sites (6, 7) is -106.191466575948
+Energy at sites (6, 7) is -106.191466575949
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -106.191466575948
+Energy at sites (7, 8) is -106.191466575949
******************************************************************
*** Information on right sweep 1 of instruction 1:
-*** Elapsed wall time = 1.397052 seconds
-*** |--> S.join = 0.045089 seconds
-*** |--> S.solve = 0.8451 seconds
-*** |--> S.split = 0.184884 seconds
-*** |--> Tensor update = 0.320614 seconds
-*** |--> create = 0.018758 seconds
-*** |--> destroy = 0.002848 seconds
-*** |--> disk write = 0.020878 seconds
-*** |--> disk read = 0.019154 seconds
-*** |--> calc = 0.258883 seconds
-*** Disk write bandwidth = 9.61658906429615 MB/s
-*** Disk read bandwidth = 10.5387136111419 MB/s
-*** Minimum energy = -106.191466575948
+*** Elapsed wall time = 1.201481 seconds
+*** |--> S.join = 0.030322 seconds
+*** |--> S.solve = 0.399714 seconds
+*** |--> S.split = 0.079383 seconds
+*** |--> Tensor update = 0.691229 seconds
+*** |--> create = 0.019767 seconds
+*** |--> destroy = 0.001841 seconds
+*** |--> disk write = 0.446897 seconds
+*** |--> disk read = 0.115235 seconds
+*** |--> calc = 0.107411 seconds
+*** Disk write bandwidth = 0.449264923426147 MB/s
+*** Disk read bandwidth = 1.75171189749479 MB/s
+*** Minimum energy = -106.191466575949
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 3.94265953218564e-10
+*** Energy difference with respect to previous leftright sweep = 4.71885641672998e-10
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191466575948
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -106.191466575948
+Energy at sites (7, 8) is -106.191466575949
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575948
Stats: nIt(DAVIDSON) = 2
-Energy at sites (5, 6) is -106.191466575948
- Stats: nIt(DAVIDSON) = 13
-Energy at sites (4, 5) is -106.19146657595
- Stats: nIt(DAVIDSON) = 11
+Energy at sites (5, 6) is -106.191466575949
+ Stats: nIt(DAVIDSON) = 12
+Energy at sites (4, 5) is -106.191466575949
+ Stats: nIt(DAVIDSON) = 12
Energy at sites (3, 4) is -106.19146657595
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -106.19146657595
@@ -2766,18 +2802,18 @@
Energy at sites (1, 2) is -106.19146657595
******************************************************************
*** Information on left sweep 2 of instruction 1:
-*** Elapsed wall time = 1.905911 seconds
-*** |--> S.join = 0.065863 seconds
-*** |--> S.solve = 1.028073 seconds
-*** |--> S.split = 0.2046 seconds
-*** |--> Tensor update = 0.605926 seconds
-*** |--> create = 0.017197 seconds
-*** |--> destroy = 0.002372 seconds
-*** |--> disk write = 0.190648 seconds
-*** |--> disk read = 0.078679 seconds
-*** |--> calc = 0.316869 seconds
-*** Disk write bandwidth = 1.05880219308785 MB/s
-*** Disk read bandwidth = 2.55182636388839 MB/s
+*** Elapsed wall time = 1.247206 seconds
+*** |--> S.join = 0.027159 seconds
+*** |--> S.solve = 0.374299 seconds
+*** |--> S.split = 0.079614 seconds
+*** |--> Tensor update = 0.763261 seconds
+*** |--> create = 0.016024 seconds
+*** |--> destroy = 0.001693 seconds
+*** |--> disk write = 0.60437 seconds
+*** |--> disk read = 0.055873 seconds
+*** |--> calc = 0.085246 seconds
+*** Disk write bandwidth = 0.333998246947751 MB/s
+*** Disk read bandwidth = 3.59341983577712 MB/s
*** Minimum energy = -106.19146657595
*** Maximum discarded weight = 0
******************************************************************
@@ -2789,9 +2825,9 @@
Energy at sites (2, 3) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.19146657595
- Stats: nIt(DAVIDSON) = 6
+ Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -106.19146657595
- Stats: nIt(DAVIDSON) = 11
+ Stats: nIt(DAVIDSON) = 12
Energy at sites (5, 6) is -106.19146657595
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.19146657595
@@ -2799,21 +2835,21 @@
Energy at sites (7, 8) is -106.19146657595
******************************************************************
*** Information on right sweep 2 of instruction 1:
-*** Elapsed wall time = 1.229178 seconds
-*** |--> S.join = 0.042873 seconds
-*** |--> S.solve = 0.652359 seconds
-*** |--> S.split = 0.196395 seconds
-*** |--> Tensor update = 0.332311 seconds
-*** |--> create = 0.015289 seconds
-*** |--> destroy = 0.002838 seconds
-*** |--> disk write = 0.024677 seconds
-*** |--> disk read = 0.019049 seconds
-*** |--> calc = 0.270347 seconds
-*** Disk write bandwidth = 8.13612458906573 MB/s
-*** Disk read bandwidth = 10.5968040583659 MB/s
+*** Elapsed wall time = 2.596471 seconds
+*** |--> S.join = 0.027241 seconds
+*** |--> S.solve = 2.145907 seconds
+*** |--> S.split = 0.064355 seconds
+*** |--> Tensor update = 0.35482 seconds
+*** |--> create = 0.01572 seconds
+*** |--> destroy = 0.001488 seconds
+*** |--> disk write = 0.231372 seconds
+*** |--> disk read = 0.012146 seconds
+*** |--> calc = 0.094045 seconds
+*** Disk write bandwidth = 0.867759048131905 MB/s
+*** Disk read bandwidth = 16.6193413887545 MB/s
*** Minimum energy = -106.19146657595
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 2.1032064978499e-12
+*** Energy difference with respect to previous leftright sweep = 1.67688085639384e-12
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
@@ -2828,51 +2864,51 @@
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595
- NOON of irrep Ag = [ 1.99999399659804 , 1.9936632578115 , 1.87190049699948 ].
- NOON of irrep B2g = [ 0.584814254587055 ].
- NOON of irrep B3g = [ 0.58481430448864 ].
- NOON of irrep B1u = [ 1.99999783389171 , 1.1209642898862 , 1.00219410897818 ].
- NOON of irrep B2u = [ 1.42082870019873 ].
- NOON of irrep B3u = [ 1.42082875656048 ].
- Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128074828097e-05 , 0.0722109490024587 , 0.460791892380573 , 1.13075778187812 , 1.1307577978589 , 6.17502965498284e-05 , 0.977139012390726 , 0.735936473579792 , 1.12042724773602 , 1.12042721963822 ].
- Idistance(0) = 5.65234388418854
- Idistance(1) = 19.8382954406765
- Idistance(2) = 88.8195392655463
+ NOON of irrep Ag = [ 1.99999399659558 , 1.99366325452595 , 1.87190048348902 ].
+ NOON of irrep B2g = [ 0.584814297816252 ].
+ NOON of irrep B3g = [ 0.584814275701119 ].
+ NOON of irrep B1u = [ 1.99999783389188 , 1.12096429427801 , 1.00219410508544 ].
+ NOON of irrep B2u = [ 1.42082874342808 ].
+ NOON of irrep B3u = [ 1.42082871518865 ].
+ Single-orbital entropies (Hamiltonian index order is used!) = [ 8.1712838407374e-05 , 0.0722109600865868 , 0.46079193464919 , 1.13075780356074 , 1.13075780092863 , 6.17502939204123e-05 , 0.977139017953281 , 0.73593649373976 , 1.12042722460858 , 1.12042723839061 ].
+ Idistance(0) = 5.65234399653599
+ Idistance(1) = 19.8382958921364
+ Idistance(2) = 88.8195416411282
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
-*** Elapsed wall time = 1.856457 seconds
-*** |--> MPS gauge change = 0.557765 seconds
-*** |--> Diagram calc = 0.093056 seconds
-*** |--> Tensor update = 1.203967 seconds
-*** |--> create = 0.042138 seconds
-*** |--> destroy = 0.012867 seconds
-*** |--> disk write = 0.055111 seconds
-*** |--> disk read = 0.248072 seconds
-*** |--> calc = 0.845523 seconds
-*** Disk write bandwidth = 7.66345000211221 MB/s
-*** Disk read bandwidth = 1.70249118427878 MB/s
+*** Elapsed wall time = 2.085225 seconds
+*** |--> MPS gauge change = 0.26613 seconds
+*** |--> Diagram calc = 0.045539 seconds
+*** |--> Tensor update = 1.772606 seconds
+*** |--> create = 0.038998 seconds
+*** |--> destroy = 0.00595800000000001 seconds
+*** |--> disk write = 1.063885 seconds
+*** |--> disk read = 0.247725 seconds
+*** |--> calc = 0.415791 seconds
+*** Disk write bandwidth = 0.396979366253313 MB/s
+*** Disk read bandwidth = 1.70487594335011 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 = 14.631946 seconds
-FCI::matvec : Wall time = 6.763452 seconds
-FCI::matvec : Wall time = 0.097464 seconds
-FCI::matvec : Wall time = 3.15189 seconds
-FCI::matvec : Wall time = 0.289739 seconds
-FCI::matvec : Wall time = 1.951615 seconds
-FCI::matvec : Wall time = 19.723775 seconds
-FCI::matvec : Wall time = 25.103628 seconds
-FCI::matvec : Wall time = 30.455835 seconds
-FCI::matvec : Wall time = 33.811842 seconds
-FCI::matvec : Wall time = 31.786912 seconds
-FCI::matvec : Wall time = 35.864421 seconds
-FCI::matvec : Wall time = 29.067786 seconds
-FCI::matvec : Wall time = 32.519864 seconds
-FCI::matvec : Wall time = 24.995648 seconds
-FCI::matvec : Wall time = 25.59979 seconds
-FCI::matvec : Wall time = 24.436914 seconds
-FCI::matvec : Wall time = 23.966572 seconds
+FCI::matvec : Wall time = 8.574028 seconds
+FCI::matvec : Wall time = 5.99896 seconds
+FCI::matvec : Wall time = 5.678396 seconds
+FCI::matvec : Wall time = 6.723657 seconds
+FCI::matvec : Wall time = 7.217878 seconds
+FCI::matvec : Wall time = 5.34007 seconds
+FCI::matvec : Wall time = 5.023361 seconds
+FCI::matvec : Wall time = 5.247864 seconds
+FCI::matvec : Wall time = 5.104018 seconds
+FCI::matvec : Wall time = 5.229401 seconds
+FCI::matvec : Wall time = 5.221639 seconds
+FCI::matvec : Wall time = 5.452492 seconds
+FCI::matvec : Wall time = 5.403754 seconds
+FCI::matvec : Wall time = 5.588816 seconds
+FCI::matvec : Wall time = 5.038498 seconds
+FCI::matvec : Wall time = 4.843758 seconds
+FCI::matvec : Wall time = 4.956969 seconds
+FCI::matvec : Wall time = 4.985112 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
Info on DMRG::operators rm call to system: 0
@@ -2895,279 +2931,279 @@
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
Stats: nIt(DAVIDSON) = 15
-Energy at sites (8, 9) is -101.128419386221
- Stats: nIt(DAVIDSON) = 28
-Energy at sites (7, 8) is -106.581689547963
+Energy at sites (8, 9) is -99.5334625334435
+ Stats: nIt(DAVIDSON) = 27
+Energy at sites (7, 8) is -106.578942009395
Stats: nIt(DAVIDSON) = 31
-Energy at sites (6, 7) is -106.778133409173
- Stats: nIt(DAVIDSON) = 71
-Energy at sites (5, 6) is -106.806661744873
- Stats: nIt(DAVIDSON) = 42
-Energy at sites (4, 5) is -107.329786484148
- Stats: nIt(DAVIDSON) = 16
-Energy at sites (3, 4) is -107.329861677049
- Stats: nIt(DAVIDSON) = 10
-Energy at sites (2, 3) is -107.329863350485
+Energy at sites (6, 7) is -106.779871514967
+ Stats: nIt(DAVIDSON) = 52
+Energy at sites (5, 6) is -107.314991513418
+ Stats: nIt(DAVIDSON) = 26
+Energy at sites (4, 5) is -107.346048148796
+ Stats: nIt(DAVIDSON) = 18
+Energy at sites (3, 4) is -107.346165938056
+ Stats: nIt(DAVIDSON) = 8
+Energy at sites (2, 3) is -107.346167245869
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.329863350484
+Energy at sites (1, 2) is -107.346167245869
******************************************************************
*** Information on left sweep 0 of instruction 0:
-*** Elapsed wall time = 7.294958 seconds
-*** |--> S.join = 0.110343 seconds
-*** |--> S.solve = 6.391024 seconds
-*** |--> S.split = 0.319651 seconds
-*** |--> Tensor update = 0.471582 seconds
-*** |--> create = 0.031295 seconds
-*** |--> destroy = 0.006415 seconds
-*** |--> disk write = 0.023845 seconds
-*** |--> disk read = 0.023114 seconds
-*** |--> calc = 0.386817 seconds
-*** Disk write bandwidth = 34.337874652705 MB/s
-*** Disk read bandwidth = 35.2670528117767 MB/s
-*** Minimum energy = -107.329863350485
+*** Elapsed wall time = 1.892547 seconds
+*** |--> S.join = 0.025202 seconds
+*** |--> S.solve = 1.51242 seconds
+*** |--> S.split = 0.072549 seconds
+*** |--> Tensor update = 0.280153 seconds
+*** |--> create = 0.019415 seconds
+*** |--> destroy = 0.001629 seconds
+*** |--> disk write = 0.164526 seconds
+*** |--> disk read = 0.006603 seconds
+*** |--> calc = 0.087943 seconds
+*** Disk write bandwidth = 4.97663968669846 MB/s
+*** Disk read bandwidth = 123.453378569045 MB/s
+*** Minimum energy = -107.346167245869
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (0, 1) is -107.329863350484
+Energy at sites (0, 1) is -107.346167245869
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.329863350484
+Energy at sites (1, 2) is -107.346167245869
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -107.329863350484
- Stats: nIt(DAVIDSON) = 3
-Energy at sites (3, 4) is -107.329863351296
+Energy at sites (2, 3) is -107.346167245869
Stats: nIt(DAVIDSON) = 4
-Energy at sites (4, 5) is -107.329863373079
+Energy at sites (3, 4) is -107.346167247826
+ Stats: nIt(DAVIDSON) = 5
+Energy at sites (4, 5) is -107.346167307556
Stats: nIt(DAVIDSON) = 13
-Energy at sites (5, 6) is -107.346280367901
+Energy at sites (5, 6) is -107.346321194955
Stats: nIt(DAVIDSON) = 5
-Energy at sites (6, 7) is -107.346285599061
+Energy at sites (6, 7) is -107.346325672026
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.346285599061
+Energy at sites (7, 8) is -107.346325672026
******************************************************************
*** Information on right sweep 0 of instruction 0:
-*** Elapsed wall time = 2.094071 seconds
-*** |--> S.join = 0.0846010000000001 seconds
-*** |--> S.solve = 1.199792 seconds
-*** |--> S.split = 0.292277 seconds
-*** |--> Tensor update = 0.51169 seconds
-*** |--> create = 0.036905 seconds
-*** |--> destroy = 0.002246 seconds
-*** |--> disk write = 0.031931 seconds
-*** |--> disk read = 0.014253 seconds
-*** |--> calc = 0.426253 seconds
-*** Disk write bandwidth = 25.5288797310265 MB/s
-*** Disk read bandwidth = 57.446616227724 MB/s
-*** Minimum energy = -107.346285599061
+*** Elapsed wall time = 0.521658 seconds
+*** |--> S.join = 0.023684 seconds
+*** |--> S.solve = 0.310502 seconds
+*** |--> S.split = 0.064054 seconds
+*** |--> Tensor update = 0.122684 seconds
+*** |--> create = 0.018711 seconds
+*** |--> destroy = 0.001368 seconds
+*** |--> disk write = 0.01016 seconds
+*** |--> disk read = 0.006098 seconds
+*** |--> calc = 0.086316 seconds
+*** Disk write bandwidth = 80.232545146792 MB/s
+*** Disk read bandwidth = 134.271338323016 MB/s
+*** Minimum energy = -107.346325672026
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 107.346285599061
+*** Energy difference with respect to previous leftright sweep = 107.346325672026
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (8, 9) is -107.346285599061
+Energy at sites (8, 9) is -107.346325672026
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.346285599061
+Energy at sites (7, 8) is -107.346325672026
Stats: nIt(DAVIDSON) = 1
-Energy at sites (6, 7) is -107.346285599061
+Energy at sites (6, 7) is -107.346325672026
+ Stats: nIt(DAVIDSON) = 6
+Energy at sites (5, 6) is -107.346325675317
+ Stats: nIt(DAVIDSON) = 6
+Energy at sites (4, 5) is -107.346326093363
Stats: nIt(DAVIDSON) = 4
-Energy at sites (5, 6) is -107.346285604049
- Stats: nIt(DAVIDSON) = 9
-Energy at sites (4, 5) is -107.34632394234
- Stats: nIt(DAVIDSON) = 7
-Energy at sites (3, 4) is -107.346325850362
- Stats: nIt(DAVIDSON) = 3
-Energy at sites (2, 3) is -107.346325851368
+Energy at sites (3, 4) is -107.346326109136
+ Stats: nIt(DAVIDSON) = 2
+Energy at sites (2, 3) is -107.346326109141
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.346325851368
+Energy at sites (1, 2) is -107.346326109141
******************************************************************
*** Information on left sweep 1 of instruction 0:
-*** Elapsed wall time = 2.176043 seconds
-*** |--> S.join = 0.089509 seconds
-*** |--> S.solve = 1.237345 seconds
-*** |--> S.split = 0.314834 seconds
-*** |--> Tensor update = 0.526018 seconds
-*** |--> create = 0.044107 seconds
-*** |--> destroy = 0.002201 seconds
-*** |--> disk write = 0.037943 seconds
-*** |--> disk read = 0.018536 seconds
-*** |--> calc = 0.422991 seconds
-*** Disk write bandwidth = 21.5793854227064 MB/s
-*** Disk read bandwidth = 43.9772690273741 MB/s
-*** Minimum energy = -107.346325851368
+*** Elapsed wall time = 1.036519 seconds
+*** |--> S.join = 0.019664 seconds
+*** |--> S.solve = 0.243577 seconds
+*** |--> S.split = 0.0632 seconds
+*** |--> Tensor update = 0.707715 seconds
+*** |--> create = 0.019089 seconds
+*** |--> destroy = 0.001766 seconds
+*** |--> disk write = 0.596559 seconds
+*** |--> disk read = 0.007562 seconds
+*** |--> calc = 0.082673 seconds
+*** Disk write bandwidth = 1.37251574629458 MB/s
+*** Disk read bandwidth = 107.79723071825 MB/s
+*** Minimum energy = -107.346326109141
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (0, 1) is -107.346325851368
+Energy at sites (0, 1) is -107.346326109141
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.346325851368
+Energy at sites (1, 2) is -107.346326109141
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -107.346325851368
+Energy at sites (2, 3) is -107.346326109141
Stats: nIt(DAVIDSON) = 1
-Energy at sites (3, 4) is -107.346325851368
- Stats: nIt(DAVIDSON) = 2
-Energy at sites (4, 5) is -107.346325852764
- Stats: nIt(DAVIDSON) = 7
-Energy at sites (5, 6) is -107.346326104954
+Energy at sites (3, 4) is -107.346326109141
+ Stats: nIt(DAVIDSON) = 1
+Energy at sites (4, 5) is -107.346326109141
Stats: nIt(DAVIDSON) = 3
-Energy at sites (6, 7) is -107.346326111144
+Energy at sites (5, 6) is -107.346326114834
+ Stats: nIt(DAVIDSON) = 2
+Energy at sites (6, 7) is -107.346326114902
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.346326111144
+Energy at sites (7, 8) is -107.346326114902
******************************************************************
*** Information on right sweep 1 of instruction 0:
-*** Elapsed wall time = 2.262521 seconds
-*** |--> S.join = 0.114233 seconds
-*** |--> S.solve = 1.18424 seconds
-*** |--> S.split = 0.332622 seconds
-*** |--> Tensor update = 0.624888 seconds
-*** |--> create = 0.037784 seconds
-*** |--> destroy = 0.002174 seconds
-*** |--> disk write = 0.027925 seconds
-*** |--> disk read = 0.027346 seconds
-*** |--> calc = 0.529559 seconds
-*** Disk write bandwidth = 29.1911426568095 MB/s
-*** Disk read bandwidth = 29.9417326517132 MB/s
-*** Minimum energy = -107.346326111144
+*** Elapsed wall time = 2.100316 seconds
+*** |--> S.join = 0.019513 seconds
+*** |--> S.solve = 0.160187 seconds
+*** |--> S.split = 0.061738 seconds
+*** |--> Tensor update = 1.858255 seconds
+*** |--> create = 0.019584 seconds
+*** |--> destroy = 0.001977 seconds
+*** |--> disk write = 1.393464 seconds
+*** |--> disk read = 0.36412 seconds
+*** |--> calc = 0.079034 seconds
+*** Disk write bandwidth = 0.584990110036145 MB/s
+*** Disk read bandwidth = 2.2486724736179 MB/s
+*** Minimum energy = -107.346326114902
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 4.05120830464512e-05
+*** Energy difference with respect to previous leftright sweep = 4.42876398665248e-07
******************************************************************
*** 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 = -107.346326111144
-*** Minimum energy encountered during the last sweep = -107.346326111144
+*** Minimum energy encountered during all instructions = -107.346326114902
+*** Minimum energy encountered during the last sweep = -107.346326114902
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 7
-Energy at sites (8, 9) is -107.346326111145
+Energy at sites (8, 9) is -107.346326114906
Stats: nIt(DAVIDSON) = 9
-Energy at sites (7, 8) is -107.346326111146
- Stats: nIt(DAVIDSON) = 12
-Energy at sites (6, 7) is -107.346326111147
+Energy at sites (7, 8) is -107.34632611491
+ Stats: nIt(DAVIDSON) = 13
+Energy at sites (6, 7) is -107.346326114911
Stats: nIt(DAVIDSON) = 18
-Energy at sites (5, 6) is -107.346326111161
+Energy at sites (5, 6) is -107.346326114914
+ Stats: nIt(DAVIDSON) = 11
+Energy at sites (4, 5) is -107.346326115021
Stats: nIt(DAVIDSON) = 13
-Energy at sites (4, 5) is -107.346326114904
- Stats: nIt(DAVIDSON) = 14
-Energy at sites (3, 4) is -107.346326114942
- Stats: nIt(DAVIDSON) = 8
-Energy at sites (2, 3) is -107.346326114942
+Energy at sites (3, 4) is -107.346326115022
+ Stats: nIt(DAVIDSON) = 6
+Energy at sites (2, 3) is -107.346326115022
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.346326114942
+Energy at sites (1, 2) is -107.346326115022
******************************************************************
*** Information on left sweep 0 of instruction 1:
-*** Elapsed wall time = 4.23439 seconds
-*** |--> S.join = 0.102893 seconds
-*** |--> S.solve = 3.22196 seconds
-*** |--> S.split = 0.338321 seconds
-*** |--> Tensor update = 0.565719 seconds
-*** |--> create = 0.040443 seconds
-*** |--> destroy = 0.002622 seconds
-*** |--> disk write = 0.032975 seconds
-*** |--> disk read = 0.024216 seconds
-*** |--> calc = 0.46534 seconds
-*** Disk write bandwidth = 24.8305267958681 MB/s
-*** Disk read bandwidth = 33.662151416064 MB/s
-*** Minimum energy = -107.346326114942
+*** Elapsed wall time = 1.790974 seconds
+*** |--> S.join = 0.016778 seconds
+*** |--> S.solve = 0.579662 seconds
+*** |--> S.split = 0.063683 seconds
+*** |--> Tensor update = 1.129946 seconds
+*** |--> create = 0.018761 seconds
+*** |--> destroy = 0.00195 seconds
+*** |--> disk write = 0.799273 seconds
+*** |--> disk read = 0.233514 seconds
+*** |--> calc = 0.076386 seconds
+*** Disk write bandwidth = 1.02441421278305 MB/s
+*** Disk read bandwidth = 3.49085133521505 MB/s
+*** Minimum energy = -107.346326115022
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (0, 1) is -107.346326114942
+Energy at sites (0, 1) is -107.346326115022
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.346326114942
+Energy at sites (1, 2) is -107.346326115022
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -107.346326114942
- Stats: nIt(DAVIDSON) = 7
-Energy at sites (3, 4) is -107.346326114942
- Stats: nIt(DAVIDSON) = 7
-Energy at sites (4, 5) is -107.346326114942
- Stats: nIt(DAVIDSON) = 18
-Energy at sites (5, 6) is -107.346326115022
- Stats: nIt(DAVIDSON) = 9
-Energy at sites (6, 7) is -107.346326115023
+Energy at sites (2, 3) is -107.346326115022
+ Stats: nIt(DAVIDSON) = 5
+Energy at sites (3, 4) is -107.346326115022
+ Stats: nIt(DAVIDSON) = 6
+Energy at sites (4, 5) is -107.346326115022
+ Stats: nIt(DAVIDSON) = 13
+Energy at sites (5, 6) is -107.346326115025
+ Stats: nIt(DAVIDSON) = 6
+Energy at sites (6, 7) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.346326115023
+Energy at sites (7, 8) is -107.346326115024
******************************************************************
*** Information on right sweep 0 of instruction 1:
-*** Elapsed wall time = 2.677419 seconds
-*** |--> S.join = 0.101141 seconds
-*** |--> S.solve = 1.769206 seconds
-*** |--> S.split = 0.294741 seconds
-*** |--> Tensor update = 0.510904 seconds
-*** |--> create = 0.032281 seconds
-*** |--> destroy = 0.002372 seconds
-*** |--> disk write = 0.038109 seconds
-*** |--> disk read = 0.023299 seconds
-*** |--> calc = 0.414742 seconds
-*** Disk write bandwidth = 21.3902925474666 MB/s
-*** Disk read bandwidth = 35.1425649638933 MB/s
-*** Minimum energy = -107.346326115023
+*** Elapsed wall time = 1.601274 seconds
+*** |--> S.join = 0.016958 seconds
+*** |--> S.solve = 0.305974 seconds
+*** |--> S.split = 0.061665 seconds
+*** |--> Tensor update = 1.216137 seconds
+*** |--> create = 0.02025 seconds
+*** |--> destroy = 0.002015 seconds
+*** |--> disk write = 0.591248 seconds
+*** |--> disk read = 0.523061 seconds
+*** |--> calc = 0.07948 seconds
+*** Disk write bandwidth = 1.37871529153825 MB/s
+*** Disk read bandwidth = 1.56537501571279 MB/s
+*** Minimum energy = -107.346326115025
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 3.87848331229179e-09
+*** Energy difference with respect to previous leftright sweep = 1.21957555165864e-10
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (8, 9) is -107.346326115023
+Energy at sites (8, 9) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.346326115023
+Energy at sites (7, 8) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
-Energy at sites (6, 7) is -107.346326115022
- Stats: nIt(DAVIDSON) = 10
-Energy at sites (5, 6) is -107.346326115023
- Stats: nIt(DAVIDSON) = 10
-Energy at sites (4, 5) is -107.346326115024
+Energy at sites (6, 7) is -107.346326115024
+ Stats: nIt(DAVIDSON) = 5
+Energy at sites (5, 6) is -107.346326115024
Stats: nIt(DAVIDSON) = 9
+Energy at sites (4, 5) is -107.346326115024
+ Stats: nIt(DAVIDSON) = 8
Energy at sites (3, 4) is -107.346326115025
Stats: nIt(DAVIDSON) = 3
-Energy at sites (2, 3) is -107.346326115024
+Energy at sites (2, 3) is -107.346326115025
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.346326115024
+Energy at sites (1, 2) is -107.346326115025
******************************************************************
*** Information on left sweep 1 of instruction 1:
-*** Elapsed wall time = 2.490604 seconds
-*** |--> S.join = 0.075292 seconds
-*** |--> S.solve = 1.575856 seconds
-*** |--> S.split = 0.288071 seconds
-*** |--> Tensor update = 0.545315 seconds
-*** |--> create = 0.03114 seconds
-*** |--> destroy = 0.016054 seconds
-*** |--> disk write = 0.028026 seconds
-*** |--> disk read = 0.025949 seconds
-*** |--> calc = 0.44403 seconds
-*** Disk write bandwidth = 29.2152508775334 MB/s
-*** Disk read bandwidth = 31.4140297773096 MB/s
+*** Elapsed wall time = 1.777269 seconds
+*** |--> S.join = 0.020211 seconds
+*** |--> S.solve = 0.291122 seconds
+*** |--> S.split = 0.059864 seconds
+*** |--> Tensor update = 1.405593 seconds
+*** |--> create = 0.018607 seconds
+*** |--> destroy = 0.001828 seconds
+*** |--> disk write = 1.007427 seconds
+*** |--> disk read = 0.297391 seconds
+*** |--> calc = 0.080282 seconds
+*** Disk write bandwidth = 0.812750324434177 MB/s
+*** Disk read bandwidth = 2.74104683292839 MB/s
*** Minimum energy = -107.346326115025
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326115025
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.346326115024
+Energy at sites (1, 2) is -107.346326115025
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326115024
+ Stats: nIt(DAVIDSON) = 1
+Energy at sites (3, 4) is -107.346326115025
Stats: nIt(DAVIDSON) = 2
-Energy at sites (3, 4) is -107.346326115024
- Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.346326115024
- Stats: nIt(DAVIDSON) = 13
+ Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -107.346326115024
- Stats: nIt(DAVIDSON) = 4
+ Stats: nIt(DAVIDSON) = 3
Energy at sites (6, 7) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115025
******************************************************************
*** Information on right sweep 1 of instruction 1:
-*** Elapsed wall time = 1.96213 seconds
-*** |--> S.join = 0.085333 seconds
-*** |--> S.solve = 1.126642 seconds
-*** |--> S.split = 0.293218 seconds
-*** |--> Tensor update = 0.454312 seconds
-*** |--> create = 0.024212 seconds
-*** |--> destroy = 0.002749 seconds
-*** |--> disk write = 0.023721 seconds
-*** |--> disk read = 0.034503 seconds
-*** |--> calc = 0.368996 seconds
-*** Disk write bandwidth = 34.3645992450321 MB/s
-*** Disk read bandwidth = 23.7308819839941 MB/s
+*** Elapsed wall time = 1.81278 seconds
+*** |--> S.join = 0.024673 seconds
+*** |--> S.solve = 0.217567 seconds
+*** |--> S.split = 0.056736 seconds
+*** |--> Tensor update = 1.507906 seconds
+*** |--> create = 0.017285 seconds
+*** |--> destroy = 0.001456 seconds
+*** |--> disk write = 1.161673 seconds
+*** |--> disk read = 0.248341 seconds
+*** |--> calc = 0.079098 seconds
+*** Disk write bandwidth = 0.701714388379007 MB/s
+*** Disk read bandwidth = 3.29702554589758 MB/s
*** Minimum energy = -107.346326115025
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 2.07478478841949e-12
+*** Energy difference with respect to previous leftright sweep = 3.69482222595252e-13
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
@@ -3181,52 +3217,52 @@
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
- Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115024
- NOON of irrep Ag = [ 1.99999018535322 , 1.99292175234272 , 1.03221285766299 ].
- NOON of irrep B2g = [ 1.02415310247813 ].
- NOON of irrep B3g = [ 0.0896934286735404 ].
- NOON of irrep B1u = [ 1.99999295584651 , 1.95039154271329 , 0.0159495094155871 ].
- NOON of irrep B2u = [ 1.919621593056 ].
- NOON of irrep B3u = [ 1.97507307245801 ].
- Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322999802049 , 0.0447141492547745 , 0.838966991536363 , 0.790658960751844 , 0.317368560618053 , 9.24989502218047e-05 , 0.227634117755961 , 0.0907424577616725 , 0.299652804359386 , 0.133979297110426 ].
- Idistance(0) = 1.57215407740108
- Idistance(1) = 5.15805448143491
- Idistance(2) = 21.9866410079602
+ Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115025
+ NOON of irrep Ag = [ 1.99999018535372 , 1.99292175277784 , 1.03221285680376 ].
+ NOON of irrep B2g = [ 1.02415310258555 ].
+ NOON of irrep B3g = [ 0.0896934287707753 ].
+ NOON of irrep B1u = [ 1.99999295584654 , 1.95039154288565 , 0.0159495095252683 ].
+ NOON of irrep B2u = [ 1.91962159297483 ].
+ NOON of irrep B3u = [ 1.97507307247608 ].
+ Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322991616775 , 0.044714146676211 , 0.838966994334775 , 0.790658960307985 , 0.317368561145372 , 9.24989500809842e-05 , 0.227634117156299 , 0.0907424584627423 , 0.299652804846502 , 0.133979297032608 ].
+ Idistance(0) = 1.57215407900752
+ Idistance(1) = 5.15805448315171
+ Idistance(2) = 21.9866409884551
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
-*** Elapsed wall time = 1.814259 seconds
-*** |--> MPS gauge change = 0.522579 seconds
-*** |--> Diagram calc = 0.128816 seconds
-*** |--> Tensor update = 1.159857 seconds
-*** |--> create = 0.0771800000000001 seconds
-*** |--> destroy = 0.006397 seconds
-*** |--> disk write = 0.082105 seconds
-*** |--> disk read = 0.056765 seconds
-*** |--> calc = 0.932758 seconds
-*** Disk write bandwidth = 20.2285583544413 MB/s
-*** Disk read bandwidth = 29.2586238649063 MB/s
+*** Elapsed wall time = 0.715436 seconds
+*** |--> MPS gauge change = 0.140726 seconds
+*** |--> Diagram calc = 0.024695 seconds
+*** |--> Tensor update = 0.549277 seconds
+*** |--> create = 0.045592 seconds
+*** |--> destroy = 0.003183 seconds
+*** |--> disk write = 0.276057 seconds
+*** |--> disk read = 0.014401 seconds
+*** |--> calc = 0.209926 seconds
+*** Disk write bandwidth = 6.01638713632115 MB/s
+*** Disk read bandwidth = 115.329892624915 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 = 29.020012 seconds
-FCI::matvec : Wall time = 28.8239 seconds
-FCI::matvec : Wall time = 28.963421 seconds
-FCI::matvec : Wall time = 30.163815 seconds
-FCI::matvec : Wall time = 31.591437 seconds
-FCI::matvec : Wall time = 40.259849 seconds
-FCI::matvec : Wall time = 34.019784 seconds
-FCI::matvec : Wall time = 32.339657 seconds
-FCI::matvec : Wall time = 37.347436 seconds
-FCI::matvec : Wall time = 37.271784 seconds
-FCI::matvec : Wall time = 35.699622 seconds
-FCI::matvec : Wall time = 33.507507 seconds
-FCI::matvec : Wall time = 34.891318 seconds
-FCI::matvec : Wall time = 34.591285 seconds
-FCI::matvec : Wall time = 34.295271 seconds
-FCI::matvec : Wall time = 29.871394 seconds
-FCI::matvec : Wall time = 29.107331 seconds
-FCI::matvec : Wall time = 29.335573 seconds
+FCI::matvec : Wall time = 8.697372 seconds
+FCI::matvec : Wall time = 10.396918 seconds
+FCI::matvec : Wall time = 0.790856 seconds
+FCI::matvec : Wall time = 0.029289 seconds
+FCI::matvec : Wall time = 0.028302 seconds
+FCI::matvec : Wall time = 0.027715 seconds
+FCI::matvec : Wall time = 0.028643 seconds
+FCI::matvec : Wall time = 0.901935 seconds
+FCI::matvec : Wall time = 0.630226 seconds
+FCI::matvec : Wall time = 4.429657 seconds
+FCI::matvec : Wall time = 6.065456 seconds
+FCI::matvec : Wall time = 3.37097 seconds
+FCI::matvec : Wall time = 0.034723 seconds
+FCI::matvec : Wall time = 0.048468 seconds
+FCI::matvec : Wall time = 0.034874 seconds
+FCI::matvec : Wall time = 0.034755 seconds
+FCI::matvec : Wall time = 0.034813 seconds
+FCI::matvec : Wall time = 4.851964 seconds
FCI::GSDavidson : Converged ground state energy = -107.346326115024
FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2
Info on DMRG::operators rm call to system: 0
@@ -3248,153 +3284,153 @@
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
- Stats: nIt(DAVIDSON) = 15
-Energy at sites (8, 9) is -103.461558234568
- Stats: nIt(DAVIDSON) = 23
-Energy at sites (7, 8) is -106.250245904713
- Stats: nIt(DAVIDSON) = 47
-Energy at sites (6, 7) is -106.950450956319
- Stats: nIt(DAVIDSON) = 59
-Energy at sites (5, 6) is -107.182010983069
- Stats: nIt(DAVIDSON) = 47
-Energy at sites (4, 5) is -107.188543575148
- Stats: nIt(DAVIDSON) = 43
-Energy at sites (3, 4) is -107.199490434476
Stats: nIt(DAVIDSON) = 12
-Energy at sites (2, 3) is -107.199514548008
+Energy at sites (8, 9) is -104.520897812931
+ Stats: nIt(DAVIDSON) = 31
+Energy at sites (7, 8) is -106.242323407727
+ Stats: nIt(DAVIDSON) = 50
+Energy at sites (6, 7) is -106.951581513433
+ Stats: nIt(DAVIDSON) = 57
+Energy at sites (5, 6) is -107.182735139283
+ Stats: nIt(DAVIDSON) = 44
+Energy at sites (4, 5) is -107.189043534548
+ Stats: nIt(DAVIDSON) = 43
+Energy at sites (3, 4) is -107.199501932452
+ Stats: nIt(DAVIDSON) = 13
+Energy at sites (2, 3) is -107.199526365386
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.199514548007
+Energy at sites (1, 2) is -107.199526365386
******************************************************************
*** Information on left sweep 0 of instruction 0:
-*** Elapsed wall time = 7.464151 seconds
-*** |--> S.join = 0.088146 seconds
-*** |--> S.solve = 6.320092 seconds
-*** |--> S.split = 0.235514 seconds
-*** |--> Tensor update = 0.820002 seconds
-*** |--> create = 0.025946 seconds
-*** |--> destroy = 0.002217 seconds
-*** |--> disk write = 0.246296 seconds
-*** |--> disk read = 0.191732 seconds
-*** |--> calc = 0.353735 seconds
-*** Disk write bandwidth = 3.41531691153315 MB/s
-*** Disk read bandwidth = 4.36836277533549 MB/s
-*** Minimum energy = -107.199514548008
+*** Elapsed wall time = 4.107741 seconds
+*** |--> S.join = 0.04309 seconds
+*** |--> S.solve = 2.482787 seconds
+*** |--> S.split = 0.090262 seconds
+*** |--> Tensor update = 1.48912 seconds
+*** |--> create = 0.019928 seconds
+*** |--> destroy = 0.002509 seconds
+*** |--> disk write = 0.848381 seconds
+*** |--> disk read = 0.527661 seconds
+*** |--> calc = 0.090568 seconds
+*** Disk write bandwidth = 0.991510764671732 MB/s
+*** Disk read bandwidth = 1.58729739670096 MB/s
+*** Minimum energy = -107.199526365386
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (0, 1) is -107.199514548007
+Energy at sites (0, 1) is -107.199526365385
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.199514548007
+Energy at sites (1, 2) is -107.199526365385
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -107.199514548007
+Energy at sites (2, 3) is -107.199526365385
Stats: nIt(DAVIDSON) = 5
-Energy at sites (3, 4) is -107.199514554792
+Energy at sites (3, 4) is -107.199526370364
Stats: nIt(DAVIDSON) = 8
-Energy at sites (4, 5) is -107.199520979223
+Energy at sites (4, 5) is -107.199537142068
Stats: nIt(DAVIDSON) = 21
-Energy at sites (5, 6) is -107.199616481324
- Stats: nIt(DAVIDSON) = 7
-Energy at sites (6, 7) is -107.199617213764
+Energy at sites (5, 6) is -107.199617040643
+ Stats: nIt(DAVIDSON) = 6
+Energy at sites (6, 7) is -107.199617265801
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.199617213763
+Energy at sites (7, 8) is -107.199617265801
******************************************************************
*** Information on right sweep 0 of instruction 0:
-*** Elapsed wall time = 2.620386 seconds
-*** |--> S.join = 0.091538 seconds
-*** |--> S.solve = 1.558115 seconds
-*** |--> S.split = 0.261045 seconds
-*** |--> Tensor update = 0.708375 seconds
-*** |--> create = 0.021968 seconds
-*** |--> destroy = 0.002778 seconds
-*** |--> disk write = 0.299913 seconds
-*** |--> disk read = 0.014693 seconds
-*** |--> calc = 0.368847 seconds
-*** Disk write bandwidth = 2.79265964343201 MB/s
-*** Disk read bandwidth = 57.2503160718008 MB/s
-*** Minimum energy = -107.199617213764
+*** Elapsed wall time = 2.316832 seconds
+*** |--> S.join = 0.039636 seconds
+*** |--> S.solve = 0.43741 seconds
+*** |--> S.split = 0.06924 seconds
+*** |--> Tensor update = 1.770108 seconds
+*** |--> create = 0.02249 seconds
+*** |--> destroy = 0.001878 seconds
+*** |--> disk write = 0.996584 seconds
+*** |--> disk read = 0.655509 seconds
+*** |--> calc = 0.093569 seconds
+*** Disk write bandwidth = 0.84042582626314 MB/s
+*** Disk read bandwidth = 1.283245377322 MB/s
+*** Minimum energy = -107.199617265801
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 107.199617213763
+*** Energy difference with respect to previous leftright sweep = 107.199617265801
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (8, 9) is -107.199617213763
+Energy at sites (8, 9) is -107.199617265801
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.199617213763
+Energy at sites (7, 8) is -107.199617265801
Stats: nIt(DAVIDSON) = 1
-Energy at sites (6, 7) is -107.199617213764
- Stats: nIt(DAVIDSON) = 10
-Energy at sites (5, 6) is -107.199617214789
+Energy at sites (6, 7) is -107.199617265801
+ Stats: nIt(DAVIDSON) = 5
+Energy at sites (5, 6) is -107.199617266059
Stats: nIt(DAVIDSON) = 7
-Energy at sites (4, 5) is -107.199617388226
+Energy at sites (4, 5) is -107.199617392772
Stats: nIt(DAVIDSON) = 5
-Energy at sites (3, 4) is -107.199617420878
+Energy at sites (3, 4) is -107.19961742094
Stats: nIt(DAVIDSON) = 3
-Energy at sites (2, 3) is -107.199617421158
+Energy at sites (2, 3) is -107.199617421392
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.199617421158
+Energy at sites (1, 2) is -107.199617421392
******************************************************************
*** Information on left sweep 1 of instruction 0:
-*** Elapsed wall time = 3.025083 seconds
-*** |--> S.join = 0.087406 seconds
-*** |--> S.solve = 1.068947 seconds
-*** |--> S.split = 0.229959 seconds
-*** |--> Tensor update = 1.633592 seconds
-*** |--> create = 0.021276 seconds
-*** |--> destroy = 0.010559 seconds
-*** |--> disk write = 0.967457 seconds
-*** |--> disk read = 0.301286 seconds
-*** |--> calc = 0.332945 seconds
-*** Disk write bandwidth = 0.86947419269587 MB/s
-*** Disk read bandwidth = 2.7799331254709 MB/s
-*** Minimum energy = -107.199617421158
+*** Elapsed wall time = 2.587015 seconds
+*** |--> S.join = 0.045319 seconds
+*** |--> S.solve = 0.448476 seconds
+*** |--> S.split = 0.0726700000000001 seconds
+*** |--> Tensor update = 2.019388 seconds
+*** |--> create = 0.021632 seconds
+*** |--> destroy = 0.002493 seconds
+*** |--> disk write = 1.359713 seconds
+*** |--> disk read = 0.532464 seconds
+*** |--> calc = 0.102986 seconds
+*** Disk write bandwidth = 0.618644444851942 MB/s
+*** Disk read bandwidth = 1.57297945333511 MB/s
+*** Minimum energy = -107.199617421392
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
-Energy at sites (0, 1) is -107.199617421158
+Energy at sites (0, 1) is -107.199617421392
Stats: nIt(DAVIDSON) = 1
-Energy at sites (1, 2) is -107.199617421158
+Energy at sites (1, 2) is -107.199617421392
Stats: nIt(DAVIDSON) = 1
-Energy at sites (2, 3) is -107.199617421158
+Energy at sites (2, 3) is -107.199617421392
Stats: nIt(DAVIDSON) = 1
-Energy at sites (3, 4) is -107.199617421158
+Energy at sites (3, 4) is -107.199617421392
Stats: nIt(DAVIDSON) = 2
-Energy at sites (4, 5) is -107.199617421193
+Energy at sites (4, 5) is -107.199617421417
Stats: nIt(DAVIDSON) = 3
-Energy at sites (5, 6) is -107.199617421878
+Energy at sites (5, 6) is -107.199617421894
Stats: nIt(DAVIDSON) = 1
-Energy at sites (6, 7) is -107.199617421878
+Energy at sites (6, 7) is -107.199617421894
Stats: nIt(DAVIDSON) = 1
-Energy at sites (7, 8) is -107.199617421878
+Energy at sites (7, 8) is -107.199617421894
******************************************************************
*** Information on right sweep 1 of instruction 0:
-*** Elapsed wall time = 2.625964 seconds
-*** |--> S.join = 0.07197 seconds
-*** |--> S.solve = 0.632738 seconds
-*** |--> S.split = 0.25435 seconds
-*** |--> Tensor update = 1.666158 seconds
-*** |--> create = 0.026087 seconds
-*** |--> destroy = 0.002373 seconds
-*** |--> disk write = 0.939574 seconds
-*** |--> disk read = 0.340043 seconds
-*** |--> calc = 0.357975 seconds
-*** Disk write bandwidth = 0.891419868621977 MB/s
-*** Disk read bandwidth = 2.4737427150183 MB/s
-*** Minimum energy = -107.199617421878
+*** Elapsed wall time = 2.2759 seconds
+*** |--> S.join = 0.061651 seconds
+*** |--> S.solve = 0.976565 seconds
+*** |--> S.split = 0.184293 seconds
+*** |--> Tensor update = 1.046743 seconds
+*** |--> create = 0.02016 seconds
+*** |--> destroy = 0.002131 seconds
+*** |--> disk write = 0.777935 seconds
+*** |--> disk read = 0.017404 seconds
+*** |--> calc = 0.229028 seconds
+*** Disk write bandwidth = 1.07663870585669 MB/s
+*** Disk read bandwidth = 48.3325036797845 MB/s
+*** Minimum energy = -107.199617421894
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 2.08114499855583e-07
+*** Energy difference with respect to previous leftright sweep = 1.56092823999643e-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 = -107.199617421878
-*** Minimum energy encountered during the last sweep = -107.199617421878
+*** Minimum energy encountered during all instructions = -107.199617421894
+*** Minimum energy encountered during the last sweep = -107.199617421894
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 8
-Energy at sites (8, 9) is -107.199617421888
+Energy at sites (8, 9) is -107.1996174219
Stats: nIt(DAVIDSON) = 11
-Energy at sites (7, 8) is -107.199617421897
+Energy at sites (7, 8) is -107.199617421905
Stats: nIt(DAVIDSON) = 17
-Energy at sites (6, 7) is -107.199617421906
+Energy at sites (6, 7) is -107.199617421911
Stats: nIt(DAVIDSON) = 23
Energy at sites (5, 6) is -107.199617421915
Stats: nIt(DAVIDSON) = 13
@@ -3407,18 +3443,18 @@
Energy at sites (1, 2) is -107.199617421919
******************************************************************
*** Information on left sweep 0 of instruction 1:
-*** Elapsed wall time = 4.513574 seconds
-*** |--> S.join = 0.084912 seconds
-*** |--> S.solve = 2.657056 seconds
-*** |--> S.split = 0.291817 seconds
-*** |--> Tensor update = 1.479305 seconds
-*** |--> create = 0.024263 seconds
-*** |--> destroy = 0.002846 seconds
-*** |--> disk write = 1.057376 seconds
-*** |--> disk read = 0.033374 seconds
-*** |--> calc = 0.361363 seconds
-*** Disk write bandwidth = 0.795534317066936 MB/s
-*** Disk read bandwidth = 25.0960307916529 MB/s
+*** Elapsed wall time = 2.788833 seconds
+*** |--> S.join = 0.04904 seconds
+*** |--> S.solve = 1.323926 seconds
+*** |--> S.split = 0.096405 seconds
+*** |--> Tensor update = 1.314819 seconds
+*** |--> create = 0.019477 seconds
+*** |--> destroy = 0.002213 seconds
+*** |--> disk write = 0.657447 seconds
+*** |--> disk read = 0.51086 seconds
+*** |--> calc = 0.124741 seconds
+*** Disk write bandwidth = 1.27946267006005 MB/s
+*** Disk read bandwidth = 1.63949992491216 MB/s
*** Minimum energy = -107.199617421919
*** Maximum discarded weight = 0
******************************************************************
@@ -3434,27 +3470,27 @@
Energy at sites (4, 5) is -107.199617421919
Stats: nIt(DAVIDSON) = 18
Energy at sites (5, 6) is -107.199617421919
- Stats: nIt(DAVIDSON) = 10
+ Stats: nIt(DAVIDSON) = 9
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 = 3.041289 seconds
-*** |--> S.join = 0.092664 seconds
-*** |--> S.solve = 1.380071 seconds
-*** |--> S.split = 0.270983 seconds
-*** |--> Tensor update = 1.297184 seconds
-*** |--> create = 0.021318 seconds
-*** |--> destroy = 0.002046 seconds
-*** |--> disk write = 0.759379 seconds
-*** |--> disk read = 0.166502 seconds
-*** |--> calc = 0.347884 seconds
-*** Disk write bandwidth = 1.10294718663622 MB/s
-*** Disk read bandwidth = 5.05206480428444 MB/s
+*** Elapsed wall time = 2.233359 seconds
+*** |--> S.join = 0.03685 seconds
+*** |--> S.solve = 0.636003 seconds
+*** |--> S.split = 0.075888 seconds
+*** |--> Tensor update = 1.4817 seconds
+*** |--> create = 0.019807 seconds
+*** |--> destroy = 0.001864 seconds
+*** |--> disk write = 1.245986 seconds
+*** |--> disk read = 0.086154 seconds
+*** |--> calc = 0.127809 seconds
+*** Disk write bandwidth = 0.672202522051311 MB/s
+*** Disk read bandwidth = 9.76366615645204 MB/s
*** Minimum energy = -107.199617421919
*** Maximum discarded weight = 0
-*** Energy difference with respect to previous leftright sweep = 4.10977918363642e-11
+*** Energy difference with respect to previous leftright sweep = 2.50963694270467e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
@@ -3469,54 +3505,54 @@
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919
- NOON of irrep Ag = [ 1.99998814651168 , 1.98924041566791 , 1.87687858032335 ].
- NOON of irrep B2g = [ 0.139387811237447 ].
- NOON of irrep B3g = [ 1.03112739666843 ].
- NOON of irrep B1u = [ 1.99999431244149 , 1.10839164027298 , 0.0211636956770979 ].
- NOON of irrep B2u = [ 1.96715797386774 ].
- NOON of irrep B3u = [ 1.86667002733189 ].
- Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149979996228155 , 0.0818410215404097 , 0.449623197096271 , 0.486645055470309 , 0.811029481206917 , 6.68868117428647e-05 , 0.962046613069476 , 0.112095070363282 , 0.167176149150447 , 0.47508246096029 ].
- Idistance(0) = 2.38445939153964
- Idistance(1) = 9.57998273453337
- Idistance(2) = 47.8783646552488
+ NOON of irrep Ag = [ 1.99998814651131 , 1.98924041566407 , 1.87687858025859 ].
+ NOON of irrep B2g = [ 0.139387811260544 ].
+ NOON of irrep B3g = [ 1.03112739673197 ].
+ NOON of irrep B1u = [ 1.99999431244149 , 1.10839164033093 , 0.0211636956771148 ].
+ NOON of irrep B2u = [ 1.96715797382883 ].
+ NOON of irrep B3u = [ 1.86667002729516 ].
+ Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980000023195 , 0.0818410215548486 , 0.449623197279423 , 0.486645055528827 , 0.811029481260638 , 6.68868116979823e-05 , 0.962046613153806 , 0.112095070356882 , 0.167176149313259 , 0.475082461046092 ].
+ Idistance(0) = 2.38445939156334
+ Idistance(1) = 9.57998273517076
+ Idistance(2) = 47.878364659586
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
-*** Elapsed wall time = 5.328876 seconds
-*** |--> MPS gauge change = 0.64903 seconds
-*** |--> Diagram calc = 0.110775 seconds
-*** |--> Tensor update = 4.562592 seconds
-*** |--> create = 0.053678 seconds
-*** |--> destroy = 0.005132 seconds
-*** |--> disk write = 2.750836 seconds
-*** |--> disk read = 0.85183 seconds
-*** |--> calc = 0.900628 seconds
-*** Disk write bandwidth = 0.620047988898591 MB/s
-*** Disk read bandwidth = 2.00233653380351 MB/s
+*** Elapsed wall time = 5.011352 seconds
+*** |--> MPS gauge change = 2.586217 seconds
+*** |--> Diagram calc = 0.060659 seconds
+*** |--> Tensor update = 2.363473 seconds
+*** |--> create = 0.047548 seconds
+*** |--> destroy = 0.00484100000000001 seconds
+*** |--> disk write = 1.659234 seconds
+*** |--> disk read = 0.259707 seconds
+*** |--> calc = 0.391847 seconds
+*** Disk write bandwidth = 1.02797455307078 MB/s
+*** Disk read bandwidth = 6.56759474942857 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 = 25.296101 seconds
-FCI::matvec : Wall time = 15.390802 seconds
-FCI::matvec : Wall time = 19.143941 seconds
-FCI::matvec : Wall time = 26.031618 seconds
-FCI::matvec : Wall time = 31.868594 seconds
-FCI::matvec : Wall time = 27.590732 seconds
-FCI::matvec : Wall time = 27.111222 seconds
-FCI::matvec : Wall time = 26.563627 seconds
-FCI::matvec : Wall time = 27.187766 seconds
-FCI::matvec : Wall time = 18.252706 seconds
-FCI::matvec : Wall time = 2.102705 seconds
-FCI::matvec : Wall time = 3.791646 seconds
-FCI::matvec : Wall time = 0.022009 seconds
-FCI::matvec : Wall time = 0.020784 seconds
-FCI::matvec : Wall time = 0.020857 seconds
-FCI::matvec : Wall time = 0.073017 seconds
-FCI::matvec : Wall time = 0.109508 seconds
-FCI::matvec : Wall time = 1.789603 seconds
-FCI::matvec : Wall time = 0.034259 seconds
-FCI::matvec : Wall time = 0.042006 seconds
-FCI::matvec : Wall time = 0.041004 seconds
+FCI::matvec : Wall time = 7.886285 seconds
+FCI::matvec : Wall time = 0.029657 seconds
+FCI::matvec : Wall time = 10.238236 seconds
+FCI::matvec : Wall time = 10.307851 seconds
+FCI::matvec : Wall time = 11.352855 seconds
+FCI::matvec : Wall time = 11.567095 seconds
+FCI::matvec : Wall time = 8.717709 seconds
+FCI::matvec : Wall time = 0.071205 seconds
+FCI::matvec : Wall time = 0.028217 seconds
+FCI::matvec : Wall time = 0.028316 seconds
+FCI::matvec : Wall time = 0.028304 seconds
+FCI::matvec : Wall time = 0.028246 seconds
+FCI::matvec : Wall time = 0.028841 seconds
+FCI::matvec : Wall time = 1.123238 seconds
+FCI::matvec : Wall time = 8.963508 seconds
+FCI::matvec : Wall time = 7.219269 seconds
+FCI::matvec : Wall time = 9.290494 seconds
+FCI::matvec : Wall time = 7.028924 seconds
+FCI::matvec : Wall time = 7.694754 seconds
+FCI::matvec : Wall time = 7.656719 seconds
+FCI::matvec : Wall time = 8.044993 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
@@ -3533,7 +3569,7 @@
debian/rules override_dh_auto_install
make[1]: Entering directory '/build/reproducible-path/chemps2-1.8.12'
dh_auto_install
- cd obj-x86_64-linux-gnu && make -j20 install DESTDIR=/build/reproducible-path/chemps2-1.8.12/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true"
+ cd obj-x86_64-linux-gnu && make -j42 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-x86_64-linux-gnu'
Install the project...
-- Install configuration: "release"
@@ -3548,56 +3584,56 @@
-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/lib/x86_64-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/MPIchemps2.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/TwoIndex.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/CASSCF.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/DMRGSCFindices.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/TensorT.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/SyBookkeeper.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/FourIndex.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/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/Options.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/Tensor.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/TwoDM.h
--- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/ConjugateGradient.h
--- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/TensorGYZ.h
+-- Installing: /build/reproducible-path/chemps2-1.8.12/debian/tmp/usr/include/chemps2/DMRG.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/Problem.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/Excitation.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/FourIndex.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/CASPT2.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/Special.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/ThreeDM.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/Wigner.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/Irreps.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/DMRGSCFintegrals.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/TwoIndex.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/SyBookkeeper.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/TensorS1.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/Hamiltonian.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/Correlations.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/Sobject.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/DMRGSCFintegrals.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/EdmistonRuedenberg.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/DMRGSCFwtilde.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/TensorS0.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/TensorF1.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/Wigner.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/Special.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/Lapack.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/FCI.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/ThreeDM.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/TensorQ.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/Sobject.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/Hamiltonian.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/CASPT2.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/Molden.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/TensorL.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
@@ -3654,7 +3690,7 @@
dpkg-gensymbols: warning: some new symbols appeared in the symbols file: see diff output below
dpkg-gensymbols: warning: debian/libchemps2-3t64/DEBIAN/symbols doesn't match completely debian/libchemps2-3t64.symbols
--- debian/libchemps2-3t64.symbols (libchemps2-3t64_1.8.12-4_amd64)
-+++ dpkg-gensymbols5F31rW 2025-03-20 18:26:10.235189840 -1200
++++ dpkg-gensymbolskKs4Ai 2026-04-24 03:20:30.098978498 +1400
@@ -142,12 +142,12 @@
_ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.8.7
_ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.8.7
@@ -3709,13 +3745,13 @@
dh_shlibdeps -a
dh_installdeb
dh_gencontrol
-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
+dpkg-gencontrol: warning: Depends field of package libchemps2-dev: substitution variable ${shlibs:Depends} used, but is not defined
dh_md5sums
dh_builddeb
+dpkg-deb: building package 'libchemps2-3t64' in '../libchemps2-3t64_1.8.12-4_amd64.deb'.
dpkg-deb: building package 'libchemps2-3t64-dbgsym' in '../libchemps2-3t64-dbgsym_1.8.12-4_amd64.deb'.
dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.12-4_amd64.deb'.
-dpkg-deb: building package 'libchemps2-3t64' in '../libchemps2-3t64_1.8.12-4_amd64.deb'.
dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-4_all.deb'.
dpkg-deb: building package 'chemps2' in '../chemps2_1.8.12-4_amd64.deb'.
dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.12-4_amd64.deb'.
@@ -3728,12 +3764,14 @@
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/3493888/tmp/hooks/B01_cleanup starting
+I: user script /srv/workspace/pbuilder/3493888/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/777532 and its subdirectories
-I: Current time: Thu Mar 20 18:26:19 -12 2025
-I: pbuilder-time-stamp: 1742538379
+I: removing directory /srv/workspace/pbuilder/3493888 and its subdirectories
+I: Current time: Fri Apr 24 03:20:35 +14 2026
+I: pbuilder-time-stamp: 1776950435