Diff of the two buildlogs: -- --- b1/build.log 2023-01-05 19:44:11.080188369 +0000 +++ b2/build.log 2023-01-05 20:27:33.383428061 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Wed Feb 7 13:14:02 -12 2024 -I: pbuilder-time-stamp: 1707354842 +I: Current time: Fri Jan 6 09:44:14 +14 2023 +I: pbuilder-time-stamp: 1672947854 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/bullseye-reproducible-base.tgz] I: copying local configuration @@ -17,8 +17,8 @@ I: copying [./chemps2_1.8.10-2.debian.tar.xz] I: Extracting source gpgv: unknown type of key resource 'trustedkeys.kbx' -gpgv: keyblock resource '/tmp/dpkg-verify-sig.Du54nYze/trustedkeys.kbx': General error -gpgv: Signature made Sun Feb 21 20:03:21 2021 -12 +gpgv: keyblock resource '/tmp/dpkg-verify-sig.Sea7iFdZ/trustedkeys.kbx': General error +gpgv: Signature made Mon Feb 22 22:03:21 2021 +14 gpgv: using RSA key 9CA877749FAB2E4FA96862ECDC686A27B43481B0 gpgv: Can't check signature: No public key dpkg-source: warning: failed to verify signature on ./chemps2_1.8.10-2.dsc @@ -27,135 +27,170 @@ dpkg-source: info: unpacking chemps2_1.8.10-2.debian.tar.xz I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/1778616/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/328376/tmp/hooks/D01_modify_environment starting +debug: Running on ionos11-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 +Removing 'diversion of /bin/sh to /bin/sh.distrib by dash' +Adding 'diversion of /bin/sh to /bin/sh.distrib by bash' +Removing 'diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by dash' +Adding 'diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by bash' +lrwxrwxrwx 1 root root 4 Jan 6 09:44 /bin/sh -> 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/328376/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/328376/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all,-fixfilepath parallel=16' - DISTRIBUTION='bullseye' - HOME='/root' - HOST_ARCH='amd64' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:hostcomplete:interactive_comments:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="1" [2]="4" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.1.4(1)-release' + BUILDDIR=/build + 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,-fixfilepath parallel=15' + DIRSTACK=() + DISTRIBUTION=bullseye + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='4a671f189d284536a6a901ebb8aee2ab' - 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='1778616' - PS1='# ' - PS2='> ' + INVOCATION_ID=2797d0cec82f48fc8906b32538cc025d + 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=328376 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.cbkz4Alm/pbuilderrc_SEUT --distribution bullseye --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bullseye-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.cbkz4Alm/b1 --logfile b1/build.log chemps2_1.8.10-2.dsc' - SUDO_GID='110' - SUDO_UID='105' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://85.184.249.68:3128' + 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.cbkz4Alm/pbuilderrc_sj9u --distribution bullseye --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bullseye-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.cbkz4Alm/b2 --logfile b2/build.log chemps2_1.8.10-2.dsc' + SUDO_GID=111 + SUDO_UID=106 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://78.137.99.97:3128 I: uname -a - Linux ionos5-amd64 6.0.0-0.deb11.6-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.0.12-1~bpo11+1 (2022-12-19) x86_64 GNU/Linux + Linux i-capture-the-hostname 5.10.0-20-amd64 #1 SMP Debian 5.10.158-2 (2022-12-13) x86_64 GNU/Linux I: ls -l /bin total 5476 - -rwxr-xr-x 1 root root 1234376 Mar 27 2022 bash - -rwxr-xr-x 3 root root 38984 Jul 20 2020 bunzip2 - -rwxr-xr-x 3 root root 38984 Jul 20 2020 bzcat - lrwxrwxrwx 1 root root 6 Jul 20 2020 bzcmp -> bzdiff - -rwxr-xr-x 1 root root 2225 Jul 20 2020 bzdiff - lrwxrwxrwx 1 root root 6 Jul 20 2020 bzegrep -> bzgrep - -rwxr-xr-x 1 root root 4877 Sep 4 2019 bzexe - lrwxrwxrwx 1 root root 6 Jul 20 2020 bzfgrep -> bzgrep - -rwxr-xr-x 1 root root 3775 Jul 20 2020 bzgrep - -rwxr-xr-x 3 root root 38984 Jul 20 2020 bzip2 - -rwxr-xr-x 1 root root 18424 Jul 20 2020 bzip2recover - lrwxrwxrwx 1 root root 6 Jul 20 2020 bzless -> bzmore - -rwxr-xr-x 1 root root 1297 Jul 20 2020 bzmore - -rwxr-xr-x 1 root root 43936 Sep 23 2020 cat - -rwxr-xr-x 1 root root 72672 Sep 23 2020 chgrp - -rwxr-xr-x 1 root root 64448 Sep 23 2020 chmod - -rwxr-xr-x 1 root root 72672 Sep 23 2020 chown - -rwxr-xr-x 1 root root 151168 Sep 23 2020 cp - -rwxr-xr-x 1 root root 125560 Dec 10 2020 dash - -rwxr-xr-x 1 root root 113664 Sep 23 2020 date - -rwxr-xr-x 1 root root 80968 Sep 23 2020 dd - -rwxr-xr-x 1 root root 93936 Sep 23 2020 df - -rwxr-xr-x 1 root root 147176 Sep 23 2020 dir - -rwxr-xr-x 1 root root 84440 Jan 20 2022 dmesg - lrwxrwxrwx 1 root root 8 Nov 6 2019 dnsdomainname -> hostname - lrwxrwxrwx 1 root root 8 Nov 6 2019 domainname -> hostname - -rwxr-xr-x 1 root root 39712 Sep 23 2020 echo - -rwxr-xr-x 1 root root 28 Nov 9 2020 egrep - -rwxr-xr-x 1 root root 39680 Sep 23 2020 false - -rwxr-xr-x 1 root root 28 Nov 9 2020 fgrep - -rwxr-xr-x 1 root root 69032 Jan 20 2022 findmnt - -rwsr-xr-x 1 root root 34896 Feb 26 2021 fusermount - -rwxr-xr-x 1 root root 203072 Nov 9 2020 grep - -rwxr-xr-x 2 root root 2346 Apr 9 2022 gunzip - -rwxr-xr-x 1 root root 6447 Apr 9 2022 gzexe - -rwxr-xr-x 1 root root 98048 Apr 9 2022 gzip - -rwxr-xr-x 1 root root 22600 Nov 6 2019 hostname - -rwxr-xr-x 1 root root 72840 Sep 23 2020 ln - -rwxr-xr-x 1 root root 56952 Feb 7 2020 login - -rwxr-xr-x 1 root root 147176 Sep 23 2020 ls - -rwxr-xr-x 1 root root 149736 Jan 20 2022 lsblk - -rwxr-xr-x 1 root root 85184 Sep 23 2020 mkdir - -rwxr-xr-x 1 root root 76896 Sep 23 2020 mknod - -rwxr-xr-x 1 root root 48064 Sep 23 2020 mktemp - -rwxr-xr-x 1 root root 59632 Jan 20 2022 more - -rwsr-xr-x 1 root root 55528 Jan 20 2022 mount - -rwxr-xr-x 1 root root 18664 Jan 20 2022 mountpoint - -rwxr-xr-x 1 root root 147080 Sep 23 2020 mv - lrwxrwxrwx 1 root root 8 Nov 6 2019 nisdomainname -> hostname - lrwxrwxrwx 1 root root 14 Dec 16 2021 pidof -> /sbin/killall5 - -rwxr-xr-x 1 root root 43872 Sep 23 2020 pwd - lrwxrwxrwx 1 root root 4 Mar 27 2022 rbash -> bash - -rwxr-xr-x 1 root root 52032 Sep 23 2020 readlink - -rwxr-xr-x 1 root root 72704 Sep 23 2020 rm - -rwxr-xr-x 1 root root 52032 Sep 23 2020 rmdir - -rwxr-xr-x 1 root root 27472 Sep 27 2020 run-parts - -rwxr-xr-x 1 root root 122224 Dec 22 2018 sed - lrwxrwxrwx 1 root root 4 Jan 23 03:47 sh -> dash - -rwxr-xr-x 1 root root 43808 Sep 23 2020 sleep - -rwxr-xr-x 1 root root 84928 Sep 23 2020 stty - -rwsr-xr-x 1 root root 71912 Jan 20 2022 su - -rwxr-xr-x 1 root root 39744 Sep 23 2020 sync - -rwxr-xr-x 1 root root 531928 Feb 16 2021 tar - -rwxr-xr-x 1 root root 14456 Sep 27 2020 tempfile - -rwxr-xr-x 1 root root 101408 Sep 23 2020 touch - -rwxr-xr-x 1 root root 39680 Sep 23 2020 true - -rwxr-xr-x 1 root root 14328 Feb 26 2021 ulockmgr_server - -rwsr-xr-x 1 root root 35040 Jan 20 2022 umount - -rwxr-xr-x 1 root root 39744 Sep 23 2020 uname - -rwxr-xr-x 2 root root 2346 Apr 9 2022 uncompress - -rwxr-xr-x 1 root root 147176 Sep 23 2020 vdir - -rwxr-xr-x 1 root root 63744 Jan 20 2022 wdctl - lrwxrwxrwx 1 root root 8 Nov 6 2019 ypdomainname -> hostname - -rwxr-xr-x 1 root root 1984 Apr 9 2022 zcat - -rwxr-xr-x 1 root root 1678 Apr 9 2022 zcmp - -rwxr-xr-x 1 root root 5898 Apr 9 2022 zdiff - -rwxr-xr-x 1 root root 29 Apr 9 2022 zegrep - -rwxr-xr-x 1 root root 29 Apr 9 2022 zfgrep - -rwxr-xr-x 1 root root 2081 Apr 9 2022 zforce - -rwxr-xr-x 1 root root 8049 Apr 9 2022 zgrep - -rwxr-xr-x 1 root root 2206 Apr 9 2022 zless - -rwxr-xr-x 1 root root 1842 Apr 9 2022 zmore - -rwxr-xr-x 1 root root 4577 Apr 9 2022 znew -I: user script /srv/workspace/pbuilder/1778616/tmp/hooks/D02_print_environment finished + -rwxr-xr-x 1 root root 1234376 Mar 28 2022 bash + -rwxr-xr-x 3 root root 38984 Jul 21 2020 bunzip2 + -rwxr-xr-x 3 root root 38984 Jul 21 2020 bzcat + lrwxrwxrwx 1 root root 6 Jul 21 2020 bzcmp -> bzdiff + -rwxr-xr-x 1 root root 2225 Jul 21 2020 bzdiff + lrwxrwxrwx 1 root root 6 Jul 21 2020 bzegrep -> bzgrep + -rwxr-xr-x 1 root root 4877 Sep 5 2019 bzexe + lrwxrwxrwx 1 root root 6 Jul 21 2020 bzfgrep -> bzgrep + -rwxr-xr-x 1 root root 3775 Jul 21 2020 bzgrep + -rwxr-xr-x 3 root root 38984 Jul 21 2020 bzip2 + -rwxr-xr-x 1 root root 18424 Jul 21 2020 bzip2recover + lrwxrwxrwx 1 root root 6 Jul 21 2020 bzless -> bzmore + -rwxr-xr-x 1 root root 1297 Jul 21 2020 bzmore + -rwxr-xr-x 1 root root 43936 Sep 24 2020 cat + -rwxr-xr-x 1 root root 72672 Sep 24 2020 chgrp + -rwxr-xr-x 1 root root 64448 Sep 24 2020 chmod + -rwxr-xr-x 1 root root 72672 Sep 24 2020 chown + -rwxr-xr-x 1 root root 151168 Sep 24 2020 cp + -rwxr-xr-x 1 root root 125560 Dec 11 2020 dash + -rwxr-xr-x 1 root root 113664 Sep 24 2020 date + -rwxr-xr-x 1 root root 80968 Sep 24 2020 dd + -rwxr-xr-x 1 root root 93936 Sep 24 2020 df + -rwxr-xr-x 1 root root 147176 Sep 24 2020 dir + -rwxr-xr-x 1 root root 84440 Jan 21 2022 dmesg + lrwxrwxrwx 1 root root 8 Nov 8 2019 dnsdomainname -> hostname + lrwxrwxrwx 1 root root 8 Nov 8 2019 domainname -> hostname + -rwxr-xr-x 1 root root 39712 Sep 24 2020 echo + -rwxr-xr-x 1 root root 28 Nov 10 2020 egrep + -rwxr-xr-x 1 root root 39680 Sep 24 2020 false + -rwxr-xr-x 1 root root 28 Nov 10 2020 fgrep + -rwxr-xr-x 1 root root 69032 Jan 21 2022 findmnt + -rwsr-xr-x 1 root root 34896 Feb 27 2021 fusermount + -rwxr-xr-x 1 root root 203072 Nov 10 2020 grep + -rwxr-xr-x 2 root root 2346 Apr 10 2022 gunzip + -rwxr-xr-x 1 root root 6447 Apr 10 2022 gzexe + -rwxr-xr-x 1 root root 98048 Apr 10 2022 gzip + -rwxr-xr-x 1 root root 22600 Nov 8 2019 hostname + -rwxr-xr-x 1 root root 72840 Sep 24 2020 ln + -rwxr-xr-x 1 root root 56952 Feb 8 2020 login + -rwxr-xr-x 1 root root 147176 Sep 24 2020 ls + -rwxr-xr-x 1 root root 149736 Jan 21 2022 lsblk + -rwxr-xr-x 1 root root 85184 Sep 24 2020 mkdir + -rwxr-xr-x 1 root root 76896 Sep 24 2020 mknod + -rwxr-xr-x 1 root root 48064 Sep 24 2020 mktemp + -rwxr-xr-x 1 root root 59632 Jan 21 2022 more + -rwsr-xr-x 1 root root 55528 Jan 21 2022 mount + -rwxr-xr-x 1 root root 18664 Jan 21 2022 mountpoint + -rwxr-xr-x 1 root root 147080 Sep 24 2020 mv + lrwxrwxrwx 1 root root 8 Nov 8 2019 nisdomainname -> hostname + lrwxrwxrwx 1 root root 14 Dec 17 2021 pidof -> /sbin/killall5 + -rwxr-xr-x 1 root root 43872 Sep 24 2020 pwd + lrwxrwxrwx 1 root root 4 Mar 28 2022 rbash -> bash + -rwxr-xr-x 1 root root 52032 Sep 24 2020 readlink + -rwxr-xr-x 1 root root 72704 Sep 24 2020 rm + -rwxr-xr-x 1 root root 52032 Sep 24 2020 rmdir + -rwxr-xr-x 1 root root 27472 Sep 28 2020 run-parts + -rwxr-xr-x 1 root root 122224 Dec 23 2018 sed + lrwxrwxrwx 1 root root 4 Jan 6 09:44 sh -> bash + lrwxrwxrwx 1 root root 4 Dec 21 23:25 sh.distrib -> dash + -rwxr-xr-x 1 root root 43808 Sep 24 2020 sleep + -rwxr-xr-x 1 root root 84928 Sep 24 2020 stty + -rwsr-xr-x 1 root root 71912 Jan 21 2022 su + -rwxr-xr-x 1 root root 39744 Sep 24 2020 sync + -rwxr-xr-x 1 root root 531928 Feb 17 2021 tar + -rwxr-xr-x 1 root root 14456 Sep 28 2020 tempfile + -rwxr-xr-x 1 root root 101408 Sep 24 2020 touch + -rwxr-xr-x 1 root root 39680 Sep 24 2020 true + -rwxr-xr-x 1 root root 14328 Feb 27 2021 ulockmgr_server + -rwsr-xr-x 1 root root 35040 Jan 21 2022 umount + -rwxr-xr-x 1 root root 39744 Sep 24 2020 uname + -rwxr-xr-x 2 root root 2346 Apr 10 2022 uncompress + -rwxr-xr-x 1 root root 147176 Sep 24 2020 vdir + -rwxr-xr-x 1 root root 63744 Jan 21 2022 wdctl + lrwxrwxrwx 1 root root 8 Nov 8 2019 ypdomainname -> hostname + -rwxr-xr-x 1 root root 1984 Apr 10 2022 zcat + -rwxr-xr-x 1 root root 1678 Apr 10 2022 zcmp + -rwxr-xr-x 1 root root 5898 Apr 10 2022 zdiff + -rwxr-xr-x 1 root root 29 Apr 10 2022 zegrep + -rwxr-xr-x 1 root root 29 Apr 10 2022 zfgrep + -rwxr-xr-x 1 root root 2081 Apr 10 2022 zforce + -rwxr-xr-x 1 root root 8049 Apr 10 2022 zgrep + -rwxr-xr-x 1 root root 2206 Apr 10 2022 zless + -rwxr-xr-x 1 root root 1842 Apr 10 2022 zmore + -rwxr-xr-x 1 root root 4577 Apr 10 2022 znew +I: user script /srv/workspace/pbuilder/328376/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -345,7 +380,7 @@ Get: 122 http://deb.debian.org/debian bullseye/main amd64 python3-snowballstemmer all 2.1.0-1 [58.7 kB] Get: 123 http://deb.debian.org/debian bullseye/main amd64 sphinx-common all 3.4.3-2 [578 kB] Get: 124 http://deb.debian.org/debian bullseye/main amd64 python3-sphinx all 3.4.3-2 [545 kB] -Fetched 74.6 MB in 2s (40.7 MB/s) +Fetched 74.6 MB in 5s (14.7 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package bsdextrautils. (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 ... 19704 files and directories currently installed.) @@ -892,7 +927,11 @@ fakeroot is already the newest version (1.25.3-1.1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/chemps2-1.8.10/ && 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_1.8.10-2_source.changes +I: user script /srv/workspace/pbuilder/328376/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for bullseye +I: user script /srv/workspace/pbuilder/328376/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/chemps2-1.8.10/ && 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_1.8.10-2_source.changes dpkg-buildpackage: info: source package chemps2 dpkg-buildpackage: info: source version 1.8.10-2 dpkg-buildpackage: info: source distribution unstable @@ -966,7 +1005,7 @@ debian/rules override_dh_auto_build make[1]: Entering directory '/build/chemps2-1.8.10' dh_auto_build -- VERBOSE=1 - cd obj-x86_64-linux-gnu && make -j16 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1 + cd obj-x86_64-linux-gnu && make -j15 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1 make[2]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/chemps2-1.8.10 -B/build/chemps2-1.8.10/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CMakeFiles /build/chemps2-1.8.10/obj-x86_64-linux-gnu//CMakeFiles/progress.marks @@ -982,32 +1021,32 @@ make -f CheMPS2/CMakeFiles/chemps2-base.dir/build.make CheMPS2/CMakeFiles/chemps2-base.dir/build make[4]: Entering directory '/build/chemps2-1.8.10/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/CASSCFdebug.cpp.o [ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o -[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -[ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -c /build/chemps2-1.8.10/CheMPS2/CASSCF.cpp -[ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o +[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -c /build/chemps2-1.8.10/CheMPS2/CASPT2.cpp +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -c /build/chemps2-1.8.10/CheMPS2/CASSCF.cpp cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -c /build/chemps2-1.8.10/CheMPS2/CASSCFdebug.cpp cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -c /build/chemps2-1.8.10/CheMPS2/CASSCFnewtonraphson.cpp +[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -c /build/chemps2-1.8.10/CheMPS2/CASSCFpt2.cpp +[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -c /build/chemps2-1.8.10/CheMPS2/ConjugateGradient.cpp +[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -c /build/chemps2-1.8.10/CheMPS2/ConvergenceScheme.cpp +[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o +[ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o +[ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Davidson.cpp.o -c /build/chemps2-1.8.10/CheMPS2/Davidson.cpp +[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Correlations.cpp.o -c /build/chemps2-1.8.10/CheMPS2/Correlations.cpp cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -c /build/chemps2-1.8.10/CheMPS2/Cumulant.cpp [ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Davidson.cpp.o -c /build/chemps2-1.8.10/CheMPS2/Davidson.cpp -[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DIIS.cpp.o -c /build/chemps2-1.8.10/CheMPS2/DIIS.cpp cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRG.cpp.o -c /build/chemps2-1.8.10/CheMPS2/DMRG.cpp -[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o +[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -c /build/chemps2-1.8.10/CheMPS2/DMRGfock.cpp +[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -c /build/chemps2-1.8.10/CheMPS2/DMRGmpsio.cpp [ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o -c /build/chemps2-1.8.10/CheMPS2/DMRGoperators.cpp @@ -1023,16 +1062,16 @@ cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o -c /build/chemps2-1.8.10/CheMPS2/DMRGSCFoptions.cpp [ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -c /build/chemps2-1.8.10/CheMPS2/DMRGSCFrotations.cpp -[ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -c /build/chemps2-1.8.10/CheMPS2/DMRGSCFwtilde.cpp -[ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o +[ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o -c /build/chemps2-1.8.10/CheMPS2/DMRGSCFunitary.cpp +[ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -c /build/chemps2-1.8.10/CheMPS2/DMRGSCFwtilde.cpp [ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o -c /build/chemps2-1.8.10/CheMPS2/DMRGtechnics.cpp -[ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Excitation.cpp.o -c /build/chemps2-1.8.10/CheMPS2/Excitation.cpp -[ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o +[ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o -c /build/chemps2-1.8.10/CheMPS2/EdmistonRuedenberg.cpp +[ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Excitation.cpp.o -c /build/chemps2-1.8.10/CheMPS2/Excitation.cpp [ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/FCI.cpp.o -c /build/chemps2-1.8.10/CheMPS2/FCI.cpp [ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o @@ -1041,9 +1080,9 @@ cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o -c /build/chemps2-1.8.10/CheMPS2/Hamiltonian.cpp [ 32%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Heff.cpp.o -c /build/chemps2-1.8.10/CheMPS2/Heff.cpp -[ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -[ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o +[ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -c /build/chemps2-1.8.10/CheMPS2/HeffDiagonal.cpp +[ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -c /build/chemps2-1.8.10/CheMPS2/HeffDiagrams1.cpp [ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -c /build/chemps2-1.8.10/CheMPS2/HeffDiagrams2.cpp @@ -1054,8 +1093,8 @@ [ 39%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o -c /build/chemps2-1.8.10/CheMPS2/HeffDiagrams5.cpp [ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Initialize.cpp.o -c /build/chemps2-1.8.10/CheMPS2/Initialize.cpp [ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Initialize.cpp.o -c /build/chemps2-1.8.10/CheMPS2/Initialize.cpp cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Irreps.cpp.o -c /build/chemps2-1.8.10/CheMPS2/Irreps.cpp [ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Molden.cpp.o -c /build/chemps2-1.8.10/CheMPS2/Molden.cpp @@ -1067,9 +1106,9 @@ cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Sobject.cpp.o -c /build/chemps2-1.8.10/CheMPS2/Sobject.cpp [ 46%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o -c /build/chemps2-1.8.10/CheMPS2/SyBookkeeper.cpp -[ 47%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o +[ 47%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o +[ 48%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o -c /build/chemps2-1.8.10/CheMPS2/Tensor3RDM.cpp -[ 48%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorF0.cpp.o -c /build/chemps2-1.8.10/CheMPS2/TensorF0.cpp [ 50%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorF1.cpp.o -c /build/chemps2-1.8.10/CheMPS2/TensorF1.cpp @@ -1085,20 +1124,20 @@ cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o -c /build/chemps2-1.8.10/CheMPS2/TensorOperator.cpp [ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorQ.cpp.o -c /build/chemps2-1.8.10/CheMPS2/TensorQ.cpp -[ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o -[ 58%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorS1.cpp.o -c /build/chemps2-1.8.10/CheMPS2/TensorS1.cpp +[ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorS0.cpp.o -c /build/chemps2-1.8.10/CheMPS2/TensorS0.cpp -[ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o +[ 58%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorT.cpp.o -c /build/chemps2-1.8.10/CheMPS2/TensorT.cpp +[ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorS1.cpp.o -c /build/chemps2-1.8.10/CheMPS2/TensorS1.cpp [ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorX.cpp.o -c /build/chemps2-1.8.10/CheMPS2/TensorX.cpp [ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o -c /build/chemps2-1.8.10/CheMPS2/ThreeDM.cpp -[ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -c /build/chemps2-1.8.10/CheMPS2/TwoIndex.cpp -[ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o +[ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -c /build/chemps2-1.8.10/CheMPS2/TwoDM.cpp +[ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -c /build/chemps2-1.8.10/CheMPS2/TwoIndex.cpp [ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -c /build/chemps2-1.8.10/CheMPS2/Wigner.cpp make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' @@ -1109,25 +1148,25 @@ cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/CheMPS2 /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/CheMPS2 /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake --color= -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/depend.internal". -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/depend.internal". -Scanning dependencies of target chemps2-shared Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/depend.internal". Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/depend.internal". Scanning dependencies of target chemps2-static make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build -make[4]: Leaving directory '/build/chemps2-1.8.10/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/chemps2-1.8.10/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/depend.internal". +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/depend.internal". +Scanning dependencies of target chemps2-shared +make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 66%] Linking CXX static library libchemps2.a -[ 67%] Linking CXX shared library libchemps2.so cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -P CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-shared.dir/link.txt --verbose=1 -/usr/bin/c++ -fPIC -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libchemps2.so.3 -o libchemps2.so.3 CMakeFiles/chemps2-base.dir/CASPT2.cpp.o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o CMakeFiles/chemps2-base.dir/Correlations.cpp.o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o CMakeFiles/chemps2-base.dir/Davidson.cpp.o CMakeFiles/chemps2-base.dir/DIIS.cpp.o CMakeFiles/chemps2-base.dir/DMRG.cpp.o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o CMakeFiles/chemps2-base.dir/Excitation.cpp.o CMakeFiles/chemps2-base.dir/FCI.cpp.o CMakeFiles/chemps2-base.dir/FourIndex.cpp.o CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o CMakeFiles/chemps2-base.dir/Heff.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o CMakeFiles/chemps2-base.dir/Initialize.cpp.o CMakeFiles/chemps2-base.dir/Irreps.cpp.o CMakeFiles/chemps2-base.dir/Molden.cpp.o CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o CMakeFiles/chemps2-base.dir/Problem.cpp.o CMakeFiles/chemps2-base.dir/Sobject.cpp.o CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o CMakeFiles/chemps2-base.dir/TensorF0.cpp.o CMakeFiles/chemps2-base.dir/TensorF1.cpp.o CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o CMakeFiles/chemps2-base.dir/TensorKM.cpp.o CMakeFiles/chemps2-base.dir/TensorL.cpp.o CMakeFiles/chemps2-base.dir/TensorO.cpp.o CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o CMakeFiles/chemps2-base.dir/TensorQ.cpp.o CMakeFiles/chemps2-base.dir/TensorS0.cpp.o CMakeFiles/chemps2-base.dir/TensorS1.cpp.o CMakeFiles/chemps2-base.dir/TensorT.cpp.o CMakeFiles/chemps2-base.dir/TensorX.cpp.o CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -Wl,-rpath,/usr/lib/x86_64-linux-gnu/hdf5/serial: -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm +make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build +make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-static.dir/link.txt --verbose=1 +[ 67%] Linking CXX shared library libchemps2.so +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-shared.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/c++ -fPIC -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libchemps2.so.3 -o libchemps2.so.3 CMakeFiles/chemps2-base.dir/CASPT2.cpp.o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o CMakeFiles/chemps2-base.dir/Correlations.cpp.o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o CMakeFiles/chemps2-base.dir/Davidson.cpp.o CMakeFiles/chemps2-base.dir/DIIS.cpp.o CMakeFiles/chemps2-base.dir/DMRG.cpp.o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o CMakeFiles/chemps2-base.dir/Excitation.cpp.o CMakeFiles/chemps2-base.dir/FCI.cpp.o CMakeFiles/chemps2-base.dir/FourIndex.cpp.o CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o CMakeFiles/chemps2-base.dir/Heff.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o CMakeFiles/chemps2-base.dir/Initialize.cpp.o CMakeFiles/chemps2-base.dir/Irreps.cpp.o CMakeFiles/chemps2-base.dir/Molden.cpp.o CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o CMakeFiles/chemps2-base.dir/Problem.cpp.o CMakeFiles/chemps2-base.dir/Sobject.cpp.o CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o CMakeFiles/chemps2-base.dir/TensorF0.cpp.o CMakeFiles/chemps2-base.dir/TensorF1.cpp.o CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o CMakeFiles/chemps2-base.dir/TensorKM.cpp.o CMakeFiles/chemps2-base.dir/TensorL.cpp.o CMakeFiles/chemps2-base.dir/TensorO.cpp.o CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o CMakeFiles/chemps2-base.dir/TensorQ.cpp.o CMakeFiles/chemps2-base.dir/TensorS0.cpp.o CMakeFiles/chemps2-base.dir/TensorS1.cpp.o CMakeFiles/chemps2-base.dir/TensorT.cpp.o CMakeFiles/chemps2-base.dir/TensorX.cpp.o CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -Wl,-rpath,/usr/lib/x86_64-linux-gnu/hdf5/serial: -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm /usr/bin/ranlib libchemps2.a make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 67%] Built target chemps2-static @@ -1135,243 +1174,243 @@ make[4]: Leaving directory '/build/chemps2-1.8.10/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 -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/depend +make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/depend make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/CheMPS2 /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake --color= -make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/depend +make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/depend make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake --color= -make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/depend make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake --color= -make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/depend make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake --color= make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/depend +make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/depend +make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake --color= -make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/depend -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/depend.internal". -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/depend.internal". make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake --color= -make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/depend.internal". -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/depend.internal". -Scanning dependencies of target chemps2-bin make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake --color= -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/depend.internal". -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/depend.internal". make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/depend -make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/DependInfo.cmake --color= -make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build +make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/depend +make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake --color= +make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/depend +make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/depend +make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake --color= +make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake --color= +make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/depend Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/depend.internal". Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/depend.internal". -make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -Scanning dependencies of target test1 -make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/depend -Scanning dependencies of target test14 +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/depend.internal". +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/depend.internal". Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/depend.internal". Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/depend.internal". -make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/depend.internal". +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/depend.internal". +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/depend.internal". +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/depend.internal". +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/depend.internal". +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/depend.internal". +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/depend.internal". +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/depend.internal". Scanning dependencies of target test3 -make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake --color= -make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/build -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/depend.internal". make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/depend.internal". Scanning dependencies of target test4 +Scanning dependencies of target test6 +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/depend.internal". +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/depend.internal". make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake --color= +Scanning dependencies of target test2 +Scanning dependencies of target test14 +make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build +make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +Scanning dependencies of target test1 +make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/build make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/depend.internal". -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/depend.internal". make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build -Scanning dependencies of target test12 -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/depend.internal". -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/depend.internal". -make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -[ 68%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -Scanning dependencies of target test6 -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/chemps2-bin.dir/executable.cpp.o -c /build/chemps2-1.8.10/CheMPS2/executable.cpp +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/depend.internal". +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/depend.internal". +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/depend.internal". +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/depend.internal". make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +Scanning dependencies of target test8 make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +Scanning dependencies of target chemps2-bin make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/build +make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/build make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -Scanning dependencies of target test2 -make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/build -make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/depend.internal". Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/depend.internal". +make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/build +make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' Scanning dependencies of target test7 +Scanning dependencies of target test13 +Scanning dependencies of target test12 +make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/depend.internal". +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/depend.internal". +make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/build -[ 69%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o +make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build +make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/build +[ 68%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o +Scanning dependencies of target test5 +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test14.dir/tests/test14.cpp.o -c /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test14.cpp make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -[ 70%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o +[ 69%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o +[ 70%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test6.dir/tests/test6.cpp.o -c /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test6.cpp +make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build [ 71%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o -make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test3.dir/tests/test3.cpp.o -c /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test3.cpp -make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/build -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test14.dir/tests/test14.cpp.o -c /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test14.cpp -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test1.dir/tests/test1.cpp.o -c /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test1.cpp make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build -[ 72%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test12.dir/tests/test12.cpp.o -c /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test12.cpp -[ 73%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o +make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/build make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test4.dir/tests/test4.cpp.o -c /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test4.cpp -make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/depend +make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/build +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test1.dir/tests/test1.cpp.o -c /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test1.cpp make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake --color= -make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/depend -[ 75%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test6.dir/tests/test6.cpp.o -c /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test6.cpp +make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake --color= -make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/depend -[ 76%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.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/depend cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test2.dir/tests/test2.cpp.o -c /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test2.cpp make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake --color= -[ 77%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o -make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/depend +[ 73%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test4.dir/tests/test4.cpp.o -c /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test4.cpp +[ 75%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/chemps2-bin.dir/executable.cpp.o -c /build/chemps2-1.8.10/CheMPS2/executable.cpp +make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/depend +[ 76%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake --color= -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/depend.internal". -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/depend.internal". -make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/depend cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test7.dir/tests/test7.cpp.o -c /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test7.cpp +[ 77%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test5.dir/tests/test5.cpp.o -c /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test5.cpp +[ 78%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake --color= +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test13.dir/tests/test13.cpp.o -c /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test13.cpp make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/depend -Scanning dependencies of target test8 +[ 79%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o +[ 80%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test12.dir/tests/test12.cpp.o -c /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test12.cpp +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test8.dir/tests/test8.cpp.o -c /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test8.cpp make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-1.8.10 /build/chemps2-1.8.10/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test11.dir/DependInfo.cmake --color= -make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/build -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/depend.internal". -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/depend.internal". -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/depend.internal". -Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/depend.internal". -Scanning dependencies of target test13 -make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -Scanning dependencies of target test5 -make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/depend.internal". +Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/depend.internal". Dependee "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake" is newer than depender "/build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/depend.internal". 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-O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test5.dir/tests/test5.cpp.o -o test5 -Wl,-rpath,/build/chemps2-1.8.10/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 -lpthread -lsz -lz -ldl -lm -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test13.dir/link.txt --verbose=1 -[ 98%] Linking CXX executable test9 -/usr/bin/c++ -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -Wl,-rpath,/build/chemps2-1.8.10/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 -lpthread -lsz -lz -ldl -lm +[ 96%] Linking CXX executable test9 cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test9.dir/link.txt --verbose=1 -/usr/bin/c++ -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test11.dir/tests/test11.cpp.o -o test11 -Wl,-rpath,/build/chemps2-1.8.10/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 -lpthread -lsz -lz -ldl -lm -/usr/bin/c++ -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test13.dir/tests/test13.cpp.o -o test13 -Wl,-rpath,/build/chemps2-1.8.10/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 -lpthread -lsz -lz -ldl -lm /usr/bin/c++ -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test9.dir/tests/test9.cpp.o -o test9 -Wl,-rpath,/build/chemps2-1.8.10/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 -lpthread -lsz -lz -ldl -lm +[ 97%] Linking CXX executable test12 +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test12.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test12.dir/tests/test12.cpp.o -o test12 -Wl,-rpath,/build/chemps2-1.8.10/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 -lpthread -lsz -lz -ldl -lm make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -[ 98%] Built target test3 -make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +[ 98%] Linking CXX executable test7 +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test7.dir/link.txt --verbose=1 +[ 98%] Built target test13 +/usr/bin/c++ -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -Wl,-rpath,/build/chemps2-1.8.10/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 -lpthread -lsz -lz -ldl -lm make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -[ 98%] Built target test4 make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -[ 98%] Built target test8 -[ 98%] Built target test6 -[ 98%] Built target test12 make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 98%] Built target test2 +[ 98%] Built target test14 +[ 98%] Built target test4 +[ 98%] Built target test3 make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +[ 98%] Built target test6 make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -[ 98%] Built target test7 -[100%] Linking CXX executable chemps2 +[ 98%] Built target test10 make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-bin.dir/link.txt --verbose=1 -[100%] Built target test11 +[ 98%] Built target test12 make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -/usr/bin/c++ -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/chemps2-bin.dir/executable.cpp.o -o chemps2 -Wl,-rpath,/build/chemps2-1.8.10/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 -lpthread -lsz -lz -ldl -lm -[100%] Built target test14 -[100%] Built target test1 -[100%] Built target test5 make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +[ 98%] Built target test5 +[ 98%] Built target test8 +[ 98%] Built target test11 +make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +[ 98%] Built target test1 make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -[100%] Built target test13 +[ 98%] Built target test9 make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -[100%] Built target test9 -[100%] Built target test10 +[ 98%] Built target test7 +[100%] Linking CXX executable chemps2 +cd /build/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-bin.dir/link.txt --verbose=1 +/usr/bin/c++ -flto -g -O2 -fdebug-prefix-map=/build/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/chemps2-bin.dir/executable.cpp.o -o chemps2 -Wl,-rpath,/build/chemps2-1.8.10/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 -lpthread -lsz -lz -ldl -lm make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' [100%] Built target chemps2-bin make[3]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' @@ -1470,15 +1509,15 @@ cd obj-x86_64-linux-gnu/ && ctest -R "^test3|^test5|^test8" Test project /build/chemps2-1.8.10/obj-x86_64-linux-gnu Start 3: test3 -1/3 Test #3: test3 ............................ Passed 252.61 sec +1/3 Test #3: test3 ............................ Passed 260.42 sec Start 5: test5 -2/3 Test #5: test5 ............................ Passed 47.06 sec +2/3 Test #5: test5 ............................ Passed 42.61 sec Start 8: test8 -3/3 Test #8: test8 ............................ Passed 298.47 sec +3/3 Test #8: test8 ............................ Passed 245.47 sec 100% tests passed, 0 tests failed out of 3 -Total Test time (real) = 598.15 sec +Total Test time (real) = 548.51 sec cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-x86_64-3.9:.. \ LD_LIBRARY_PATH=../../obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial \ python3 test1.py @@ -1502,213 +1541,213 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 12 -Energy at sites (8, 9) is -99.806376792457 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (7, 8) is -106.852486361987 - Stats: nIt(DAVIDSON) = 54 -Energy at sites (6, 7) is -106.879229429406 - Stats: nIt(DAVIDSON) = 59 -Energy at sites (5, 6) is -106.909254701596 - Stats: nIt(DAVIDSON) = 43 -Energy at sites (4, 5) is -107.631876668348 - Stats: nIt(DAVIDSON) = 27 -Energy at sites (3, 4) is -107.647955902132 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (8, 9) is -101.786307030359 + Stats: nIt(DAVIDSON) = 21 +Energy at sites (7, 8) is -106.851943700201 + Stats: nIt(DAVIDSON) = 62 +Energy at sites (6, 7) is -106.885636124603 + Stats: nIt(DAVIDSON) = 74 +Energy at sites (5, 6) is -106.907975891414 + Stats: nIt(DAVIDSON) = 41 +Energy at sites (4, 5) is -107.632548942571 + Stats: nIt(DAVIDSON) = 25 +Energy at sites (3, 4) is -107.647966094572 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.647955902132 +Energy at sites (2, 3) is -107.647966094572 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.647955902132 +Energy at sites (1, 2) is -107.647966094572 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 7.064375 seconds -*** |--> S.join = 0.096532 seconds -*** |--> S.solve = 6.208517 seconds -*** |--> S.split = 0.303685 seconds -*** |--> Tensor update = 0.455139 seconds -*** |--> create = 0.020864 seconds -*** |--> destroy = 0.001815 seconds -*** |--> disk write = 0.013344 seconds -*** |--> disk read = 0.032146 seconds -*** |--> calc = 0.386905 seconds -*** Disk write bandwidth = 43.9118995940943 MB/s -*** Disk read bandwidth = 18.2898037317775 MB/s -*** Minimum energy = -107.647955902132 +*** Elapsed wall time = 5.631713 seconds +*** |--> S.join = 0.086871 seconds +*** |--> S.solve = 5.025031 seconds +*** |--> S.split = 0.198726 seconds +*** |--> Tensor update = 0.3207 seconds +*** |--> create = 0.017206 seconds +*** |--> destroy = 0.00187 seconds +*** |--> disk write = 0.011829 seconds +*** |--> disk read = 0.013188 seconds +*** |--> calc = 0.276555 seconds +*** Disk write bandwidth = 49.5359191971928 MB/s +*** Disk read bandwidth = 44.5817433091992 MB/s +*** Minimum energy = -107.647966094572 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.647955902132 +Energy at sites (0, 1) is -107.647966094572 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.647955902132 +Energy at sites (1, 2) is -107.647966094572 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.647955902132 +Energy at sites (2, 3) is -107.647966094572 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.647955902132 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.647974446568 +Energy at sites (3, 4) is -107.647966094572 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (4, 5) is -107.647993212168 Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.648250364366 +Energy at sites (5, 6) is -107.64825039837 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250364366 +Energy at sites (6, 7) is -107.64825039837 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250364366 +Energy at sites (7, 8) is -107.64825039837 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 1.820887 seconds -*** |--> S.join = 0.094434 seconds -*** |--> S.solve = 1.008303 seconds -*** |--> S.split = 0.291773 seconds -*** |--> Tensor update = 0.425884 seconds -*** |--> create = 0.021668 seconds -*** |--> destroy = 0.001723 seconds -*** |--> disk write = 0.012849 seconds -*** |--> disk read = 0.034969 seconds -*** |--> calc = 0.354608 seconds -*** Disk write bandwidth = 45.7579602118234 MB/s -*** Disk read bandwidth = 16.7565669073635 MB/s -*** Minimum energy = -107.648250364366 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.648250364366 +*** Elapsed wall time = 1.640131 seconds +*** |--> S.join = 0.076347 seconds +*** |--> S.solve = 0.921637 seconds +*** |--> S.split = 0.231302 seconds +*** |--> Tensor update = 0.410434 seconds +*** |--> create = 0.018202 seconds +*** |--> destroy = 0.001821 seconds +*** |--> disk write = 0.012553 seconds +*** |--> disk read = 0.031335 seconds +*** |--> calc = 0.34645 seconds +*** Disk write bandwidth = 46.8369338613653 MB/s +*** Disk read bandwidth = 18.6998687787967 MB/s +*** Minimum energy = -107.64825039837 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.64825039837 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.648250364366 +Energy at sites (8, 9) is -107.64825039837 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250364366 +Energy at sites (7, 8) is -107.64825039837 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250364366 +Energy at sites (6, 7) is -107.64825039837 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.648250364366 +Energy at sites (5, 6) is -107.648250398371 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.648250852541 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.648250971918 +Energy at sites (4, 5) is -107.648250845421 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -107.648250971936 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250971918 +Energy at sites (2, 3) is -107.648250971936 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250971918 +Energy at sites (1, 2) is -107.648250971936 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 1.88608 seconds -*** |--> S.join = 0.085912 seconds -*** |--> S.solve = 0.981108 seconds -*** |--> S.split = 0.321817 seconds -*** |--> Tensor update = 0.496761 seconds -*** |--> create = 0.017235 seconds -*** |--> destroy = 0.001824 seconds -*** |--> disk write = 0.013398 seconds -*** |--> disk read = 0.052182 seconds -*** |--> calc = 0.412052 seconds -*** Disk write bandwidth = 43.7349147771006 MB/s -*** Disk read bandwidth = 11.2671808432356 MB/s -*** Minimum energy = -107.648250971918 +*** Elapsed wall time = 1.323362 seconds +*** |--> S.join = 0.072133 seconds +*** |--> S.solve = 0.668254 seconds +*** |--> S.split = 0.217483 seconds +*** |--> Tensor update = 0.365139 seconds +*** |--> create = 0.016267 seconds +*** |--> destroy = 0.001887 seconds +*** |--> disk write = 0.011802 seconds +*** |--> disk read = 0.014609 seconds +*** |--> calc = 0.320524 seconds +*** Disk write bandwidth = 49.6492448893064 MB/s +*** Disk read bandwidth = 40.2453303279977 MB/s +*** Minimum energy = -107.648250971936 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.648250971917 +Energy at sites (0, 1) is -107.648250971936 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250971918 +Energy at sites (1, 2) is -107.648250971936 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250971918 +Energy at sites (2, 3) is -107.648250971936 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.648250971918 +Energy at sites (3, 4) is -107.648250971937 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.648250972007 +Energy at sites (4, 5) is -107.648250972043 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.648250973999 +Energy at sites (5, 6) is -107.648250973994 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250973999 +Energy at sites (6, 7) is -107.648250973993 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250973999 +Energy at sites (7, 8) is -107.648250973993 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 1.50845 seconds -*** |--> S.join = 0.085867 seconds -*** |--> S.solve = 0.684609 seconds -*** |--> S.split = 0.27556 seconds -*** |--> Tensor update = 0.461893 seconds -*** |--> create = 0.017576 seconds -*** |--> destroy = 0.001723 seconds -*** |--> disk write = 0.012766 seconds -*** |--> disk read = 0.039527 seconds -*** |--> calc = 0.390226 seconds -*** Disk write bandwidth = 46.0554622247939 MB/s -*** Disk read bandwidth = 14.8243071364787 MB/s -*** Minimum energy = -107.648250973999 +*** Elapsed wall time = 1.020017 seconds +*** |--> S.join = 0.05107 seconds +*** |--> S.solve = 0.47433 seconds +*** |--> S.split = 0.201069 seconds +*** |--> Tensor update = 0.293207 seconds +*** |--> create = 0.014846 seconds +*** |--> destroy = 0.00175 seconds +*** |--> disk write = 0.010619 seconds +*** |--> disk read = 0.009687 seconds +*** |--> calc = 0.256263 seconds +*** Disk write bandwidth = 55.3671749469553 MB/s +*** Disk read bandwidth = 60.489355650211 MB/s +*** Minimum energy = -107.648250973994 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 6.09633133308307e-07 +*** Energy difference with respect to previous leftright sweep = 5.75623232634825e-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 = -107.648250973999 -*** Minimum energy encountered during the last sweep = -107.648250973999 +*** Minimum energy encountered during all instructions = -107.648250973994 +*** Minimum energy encountered during the last sweep = -107.648250973994 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 6 -Energy at sites (8, 9) is -107.648250974 +Energy at sites (8, 9) is -107.648250973995 Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -107.648250974001 +Energy at sites (7, 8) is -107.648250973997 Stats: nIt(DAVIDSON) = 10 -Energy at sites (6, 7) is -107.648250974004 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (5, 6) is -107.648250974003 +Energy at sites (6, 7) is -107.648250974 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (5, 6) is -107.648250974 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.648250974008 +Energy at sites (4, 5) is -107.648250974003 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250974014 +Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250974013 +Energy at sites (1, 2) is -107.648250974014 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 2.735328 seconds -*** |--> S.join = 0.089683 seconds -*** |--> S.solve = 1.893817 seconds -*** |--> S.split = 0.267252 seconds -*** |--> Tensor update = 0.484065 seconds -*** |--> create = 0.018366 seconds -*** |--> destroy = 0.002 seconds -*** |--> disk write = 0.01333 seconds -*** |--> disk read = 0.036886 seconds -*** |--> calc = 0.413417 seconds -*** Disk write bandwidth = 43.9580186184241 MB/s -*** Disk read bandwidth = 15.9394900710763 MB/s +*** Elapsed wall time = 2.203839 seconds +*** |--> S.join = 0.092415 seconds +*** |--> S.solve = 1.510083 seconds +*** |--> S.split = 0.254479 seconds +*** |--> Tensor update = 0.346415 seconds +*** |--> create = 0.013747 seconds +*** |--> destroy = 0.001717 seconds +*** |--> disk write = 0.010801 seconds +*** |--> disk read = 0.022064 seconds +*** |--> calc = 0.298035 seconds +*** Disk write bandwidth = 54.2505682977126 MB/s +*** Disk read bandwidth = 26.6472095160315 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.648250974013 +Energy at sites (0, 1) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.648250974013 +Energy at sites (1, 2) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.648250974014 +Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250974014 - Stats: nIt(DAVIDSON) = 8 + Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -107.648250974014 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.648250974014 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (5, 6) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.648250974014 +Energy at sites (6, 7) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.648250974014 +Energy at sites (7, 8) is -107.648250974013 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 1.823876 seconds -*** |--> S.join = 0.084382 seconds -*** |--> S.solve = 1.004033 seconds -*** |--> S.split = 0.265405 seconds -*** |--> Tensor update = 0.469536 seconds -*** |--> create = 0.018211 seconds -*** |--> destroy = 0.001835 seconds -*** |--> disk write = 0.012816 seconds -*** |--> disk read = 0.029028 seconds -*** |--> calc = 0.40758 seconds -*** Disk write bandwidth = 45.8757826749156 MB/s -*** Disk read bandwidth = 20.1860406567312 MB/s +*** Elapsed wall time = 1.528085 seconds +*** |--> S.join = 0.101336 seconds +*** |--> S.solve = 0.826735 seconds +*** |--> S.split = 0.240135 seconds +*** |--> Tensor update = 0.359461 seconds +*** |--> create = 0.014346 seconds +*** |--> destroy = 0.001777 seconds +*** |--> disk write = 0.01113 seconds +*** |--> disk read = 0.013098 seconds +*** |--> calc = 0.319059 seconds +*** Disk write bandwidth = 52.8251599965605 MB/s +*** Disk read bandwidth = 44.7366306446476 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.4210854715202e-11 +*** Energy difference with respect to previous leftright sweep = 2.0122570276726e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -1722,54 +1761,54 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974013 - NOON of irrep Ag = [ 1.99999530444296 , 1.99487994125742 , 1.98267954066065 ]. - NOON of irrep B2g = [ 0.0748715521981436 ]. - NOON of irrep B3g = [ 0.0748715522999142 ]. - NOON of irrep B1u = [ 1.99999681839219 , 1.98658242714879 , 0.0188079712630083 ]. - NOON of irrep B2u = [ 1.9336574461641 ]. - NOON of irrep B3u = [ 1.93365744617281 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009426041099 , 0.0515866770767723 , 0.0764971089554755 , 0.257716818771595 , 0.257716818918223 , 8.47155300667403e-05 , 0.0462800403743269 , 0.100736303626133 , 0.241506019623429 , 0.241506019646431 ]. - Idistance(0) = 1.30939331134574 - Idistance(1) = 5.42402999353573 - Idistance(2) = 26.7355487872368 + Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974014 + NOON of irrep Ag = [ 1.99999530444285 , 1.9948799412057 , 1.98267954069181 ]. + NOON of irrep B2g = [ 0.0748715521893657 ]. + NOON of irrep B3g = [ 0.0748715523798051 ]. + NOON of irrep B1u = [ 1.9999968183922 , 1.9865824271599 , 0.0188079712121083 ]. + NOON of irrep B2u = [ 1.93365744615913 ]. + NOON of irrep B3u = [ 1.93365744616716 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009426315504 , 0.0515866777710782 , 0.0764971088768796 , 0.257716818761135 , 0.257716819045643 , 8.47155300351578e-05 , 0.0462800403077862 , 0.100736303514667 , 0.241506019613545 , 0.241506019663021 ]. + Idistance(0) = 1.30939331231568 + Idistance(1) = 5.42402999716331 + Idistance(2) = 26.7355488112294 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 1.795339 seconds -*** |--> MPS gauge change = 0.57936 seconds -*** |--> Diagram calc = 0.118133 seconds -*** |--> Tensor update = 1.0968 seconds -*** |--> create = 0.062866 seconds -*** |--> destroy = 0.004777 seconds -*** |--> disk write = 0.033886 seconds -*** |--> disk read = 0.058557 seconds -*** |--> calc = 0.936448 seconds -*** Disk write bandwidth = 35.1362819972205 MB/s -*** Disk read bandwidth = 20.3328048185155 MB/s +*** Elapsed wall time = 1.361961 seconds +*** |--> MPS gauge change = 0.444809 seconds +*** |--> Diagram calc = 0.107124 seconds +*** |--> Tensor update = 0.809114 seconds +*** |--> create = 0.03338 seconds +*** |--> destroy = 0.004099 seconds +*** |--> disk write = 0.025682 seconds +*** |--> disk read = 0.023445 seconds +*** |--> calc = 0.722339 seconds +*** Disk write bandwidth = 46.3604100832417 MB/s +*** Disk read bandwidth = 50.7838793669359 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 = 31.283959 seconds -FCI::matvec : Wall time = 36.255805 seconds -FCI::matvec : Wall time = 35.815823 seconds -FCI::matvec : Wall time = 36.587705 seconds -FCI::matvec : Wall time = 31.455689 seconds -FCI::matvec : Wall time = 30.815781 seconds -FCI::matvec : Wall time = 31.96769 seconds -FCI::matvec : Wall time = 31.979674 seconds -FCI::matvec : Wall time = 31.387713 seconds -FCI::matvec : Wall time = 28.339669 seconds -FCI::matvec : Wall time = 26.527615 seconds -FCI::matvec : Wall time = 41.779542 seconds -FCI::matvec : Wall time = 42.172228 seconds -FCI::matvec : Wall time = 27.970957 seconds -FCI::matvec : Wall time = 29.439455 seconds -FCI::matvec : Wall time = 31.21148 seconds -FCI::matvec : Wall time = 36.583456 seconds -FCI::matvec : Wall time = 36.703309 seconds +FCI::matvec : Wall time = 23.299968 seconds +FCI::matvec : Wall time = 23.059831 seconds +FCI::matvec : Wall time = 23.691843 seconds +FCI::matvec : Wall time = 23.359823 seconds +FCI::matvec : Wall time = 21.411857 seconds +FCI::matvec : Wall time = 20.491712 seconds +FCI::matvec : Wall time = 23.14749 seconds +FCI::matvec : Wall time = 23.395993 seconds +FCI::matvec : Wall time = 29.39175 seconds +FCI::matvec : Wall time = 31.691679 seconds +FCI::matvec : Wall time = 32.315638 seconds +FCI::matvec : Wall time = 32.767659 seconds +FCI::matvec : Wall time = 30.827515 seconds +FCI::matvec : Wall time = 25.519626 seconds +FCI::matvec : Wall time = 28.93154 seconds +FCI::matvec : Wall time = 24.787479 seconds +FCI::matvec : Wall time = 25.515477 seconds +FCI::matvec : Wall time = 26.991435 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974013 -FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -7.16007212281196e-19 and intended S(S+1) = 0 +FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -2.26410949560649e-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 @@ -1790,212 +1829,212 @@ 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 16 -Energy at sites (8, 9) is -104.057865531419 - Stats: nIt(DAVIDSON) = 42 -Energy at sites (7, 8) is -106.322799214031 - Stats: nIt(DAVIDSON) = 36 -Energy at sites (6, 7) is -106.375894015304 - Stats: nIt(DAVIDSON) = 68 -Energy at sites (5, 6) is -107.318357946456 +Energy at sites (8, 9) is -101.776082304188 Stats: nIt(DAVIDSON) = 50 -Energy at sites (4, 5) is -107.325925115012 - Stats: nIt(DAVIDSON) = 22 -Energy at sites (3, 4) is -107.328762253605 +Energy at sites (7, 8) is -106.332805002495 + Stats: nIt(DAVIDSON) = 43 +Energy at sites (6, 7) is -106.38426503784 + Stats: nIt(DAVIDSON) = 60 +Energy at sites (5, 6) is -107.318026987841 + Stats: nIt(DAVIDSON) = 47 +Energy at sites (4, 5) is -107.325940335788 + Stats: nIt(DAVIDSON) = 24 +Energy at sites (3, 4) is -107.328763474504 Stats: nIt(DAVIDSON) = 8 -Energy at sites (2, 3) is -107.328764000948 +Energy at sites (2, 3) is -107.328764014235 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328764000948 +Energy at sites (1, 2) is -107.328764014235 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 9.783954 seconds -*** |--> S.join = 0.105681 seconds -*** |--> S.solve = 8.728506 seconds -*** |--> S.split = 0.355799 seconds -*** |--> Tensor update = 0.593448 seconds -*** |--> create = 0.019549 seconds -*** |--> destroy = 0.00172 seconds -*** |--> disk write = 0.012664 seconds -*** |--> disk read = 0.051072 seconds -*** |--> calc = 0.508373 seconds -*** Disk write bandwidth = 66.7108136946388 MB/s -*** Disk read bandwidth = 16.4708995580076 MB/s -*** Minimum energy = -107.328764000948 +*** Elapsed wall time = 5.015954 seconds +*** |--> S.join = 0.058156 seconds +*** |--> S.solve = 4.396045 seconds +*** |--> S.split = 0.187772 seconds +*** |--> Tensor update = 0.373689 seconds +*** |--> create = 0.020301 seconds +*** |--> destroy = 0.002022 seconds +*** |--> disk write = 0.01187 seconds +*** |--> disk read = 0.030773 seconds +*** |--> calc = 0.308676 seconds +*** Disk write bandwidth = 71.1731882585431 MB/s +*** Disk read bandwidth = 27.3357092979743 MB/s +*** Minimum energy = -107.328764014235 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328764000948 +Energy at sites (0, 1) is -107.328764014235 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328764000948 +Energy at sites (1, 2) is -107.328764014235 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328764000948 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.328764003187 +Energy at sites (2, 3) is -107.328764014235 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -107.328764014545 Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.328766656366 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.328768889591 +Energy at sites (4, 5) is -107.328766999867 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (5, 6) is -107.328768887881 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768889591 +Energy at sites (6, 7) is -107.328768887881 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768889591 +Energy at sites (7, 8) is -107.328768887881 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 2.753958 seconds -*** |--> S.join = 0.106938 seconds -*** |--> S.solve = 1.436457 seconds -*** |--> S.split = 0.363853 seconds -*** |--> Tensor update = 0.846172 seconds -*** |--> create = 0.036007 seconds -*** |--> destroy = 0.001676 seconds -*** |--> disk write = 0.271402 seconds -*** |--> disk read = 0.04402 seconds -*** |--> calc = 0.492969 seconds -*** Disk write bandwidth = 3.09946788242741 MB/s -*** Disk read bandwidth = 19.1918615317789 MB/s -*** Minimum energy = -107.328768889591 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.328768889591 +*** Elapsed wall time = 1.600062 seconds +*** |--> S.join = 0.089992 seconds +*** |--> S.solve = 0.940286 seconds +*** |--> S.split = 0.211966 seconds +*** |--> Tensor update = 0.357459 seconds +*** |--> create = 0.020587 seconds +*** |--> destroy = 0.001922 seconds +*** |--> disk write = 0.011348 seconds +*** |--> disk read = 0.014676 seconds +*** |--> calc = 0.30888 seconds +*** Disk write bandwidth = 74.1277566290591 MB/s +*** Disk read bandwidth = 57.5651229646298 MB/s +*** Minimum energy = -107.328768887881 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.328768887881 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.328768889591 +Energy at sites (8, 9) is -107.328768887881 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768889591 +Energy at sites (7, 8) is -107.328768887881 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768889591 +Energy at sites (6, 7) is -107.328768887881 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768889591 +Energy at sites (5, 6) is -107.328768887881 Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.328768890113 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (3, 4) is -107.328768897966 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.328768897983 +Energy at sites (4, 5) is -107.328768888313 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -107.32876889797 + Stats: nIt(DAVIDSON) = 1 +Energy at sites (2, 3) is -107.32876889797 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897983 +Energy at sites (1, 2) is -107.32876889797 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 2.121782 seconds -*** |--> S.join = 0.116486 seconds -*** |--> S.solve = 1.06834 seconds -*** |--> S.split = 0.363808 seconds -*** |--> Tensor update = 0.572659 seconds -*** |--> create = 0.027284 seconds -*** |--> destroy = 0.001879 seconds -*** |--> disk write = 0.01445 seconds -*** |--> disk read = 0.032308 seconds -*** |--> calc = 0.496669 seconds -*** Disk write bandwidth = 58.4654494552876 MB/s -*** Disk read bandwidth = 26.0369500503455 MB/s -*** Minimum energy = -107.328768897983 +*** Elapsed wall time = 1.192173 seconds +*** |--> S.join = 0.075559 seconds +*** |--> S.solve = 0.576698 seconds +*** |--> S.split = 0.215416 seconds +*** |--> Tensor update = 0.324191 seconds +*** |--> create = 0.019504 seconds +*** |--> destroy = 0.001873 seconds +*** |--> disk write = 0.012013 seconds +*** |--> disk read = 0.02966 seconds +*** |--> calc = 0.261093 seconds +*** Disk write bandwidth = 70.3259589302344 MB/s +*** Disk read bandwidth = 28.3614896232826 MB/s +*** Minimum energy = -107.32876889797 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328768897983 +Energy at sites (0, 1) is -107.32876889797 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.328768897983 +Energy at sites (1, 2) is -107.32876889797 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.328768897983 +Energy at sites (2, 3) is -107.32876889797 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.328768897983 +Energy at sites (3, 4) is -107.32876889797 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.328768898021 +Energy at sites (4, 5) is -107.328768898012 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -107.328768898021 +Energy at sites (5, 6) is -107.328768898012 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768898021 +Energy at sites (6, 7) is -107.328768898012 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.328768898021 +Energy at sites (7, 8) is -107.328768898012 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 1.676154 seconds -*** |--> S.join = 0.095893 seconds -*** |--> S.solve = 0.744528 seconds -*** |--> S.split = 0.330266 seconds -*** |--> Tensor update = 0.504941 seconds -*** |--> create = 0.024606 seconds -*** |--> destroy = 0.001749 seconds -*** |--> disk write = 0.013046 seconds -*** |--> disk read = 0.023494 seconds -*** |--> calc = 0.44199 seconds -*** Disk write bandwidth = 64.4796705677267 MB/s -*** Disk read bandwidth = 35.9592127619352 MB/s -*** Minimum energy = -107.328768898021 +*** Elapsed wall time = 1.183925 seconds +*** |--> S.join = 0.086547 seconds +*** |--> S.solve = 0.524566 seconds +*** |--> S.split = 0.215582 seconds +*** |--> Tensor update = 0.356944 seconds +*** |--> create = 0.020632 seconds +*** |--> destroy = 0.001979 seconds +*** |--> disk write = 0.01175 seconds +*** |--> disk read = 0.017336 seconds +*** |--> calc = 0.30521 seconds +*** Disk write bandwidth = 71.5916410405585 MB/s +*** Disk read bandwidth = 48.7324495055899 MB/s +*** Minimum energy = -107.328768898012 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 8.42982217363897e-09 +*** Energy difference with respect to previous leftright sweep = 1.01305772659543e-08 ****************************************************************** *** 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 = -107.328768898012 +*** Minimum energy encountered during the last sweep = -107.328768898012 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.328768898023 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (8, 9) is -107.328768898015 Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -107.328768898028 +Energy at sites (7, 8) is -107.328768898021 Stats: nIt(DAVIDSON) = 14 -Energy at sites (6, 7) is -107.328768898032 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (5, 6) is -107.328768898032 +Energy at sites (6, 7) is -107.328768898028 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (5, 6) is -107.328768898028 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.328768898032 - Stats: nIt(DAVIDSON) = 15 -Energy at sites (3, 4) is -107.328768898032 - Stats: nIt(DAVIDSON) = 9 +Energy at sites (4, 5) is -107.328768898028 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (3, 4) is -107.328768898029 + Stats: nIt(DAVIDSON) = 11 Energy at sites (2, 3) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 3.875781 seconds -*** |--> S.join = 0.117928 seconds -*** |--> S.solve = 2.892563 seconds -*** |--> S.split = 0.311798 seconds -*** |--> Tensor update = 0.553022 seconds -*** |--> create = 0.019861 seconds -*** |--> destroy = 0.002052 seconds -*** |--> disk write = 0.014095 seconds -*** |--> disk read = 0.036518 seconds -*** |--> calc = 0.480421 seconds -*** Disk write bandwidth = 59.9379740779643 MB/s -*** Disk read bandwidth = 23.0352643142166 MB/s +*** Elapsed wall time = 2.299435 seconds +*** |--> S.join = 0.074997 seconds +*** |--> S.solve = 1.679683 seconds +*** |--> S.split = 0.203912 seconds +*** |--> Tensor update = 0.340581 seconds +*** |--> create = 0.019683 seconds +*** |--> destroy = 0.001966 seconds +*** |--> disk write = 0.011752 seconds +*** |--> disk read = 0.025912 seconds +*** |--> calc = 0.281226 seconds +*** Disk write bandwidth = 71.8878271467755 MB/s +*** Disk read bandwidth = 32.4637921513802 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.328768898033 +Energy at sites (0, 1) is -107.328768898032 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768898033 - Stats: nIt(DAVIDSON) = 8 + Stats: nIt(DAVIDSON) = 10 Energy at sites (3, 4) is -107.328768898033 - Stats: nIt(DAVIDSON) = 7 + Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.328768898033 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.328768898033 +Energy at sites (6, 7) is -107.328768898032 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898033 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 2.520403 seconds -*** |--> S.join = 0.121948 seconds -*** |--> S.solve = 1.518826 seconds -*** |--> S.split = 0.355317 seconds -*** |--> Tensor update = 0.523786 seconds -*** |--> create = 0.024687 seconds -*** |--> destroy = 0.001836 seconds -*** |--> disk write = 0.013423 seconds -*** |--> disk read = 0.029734 seconds -*** |--> calc = 0.45404 seconds -*** Disk write bandwidth = 62.6686867486078 MB/s -*** Disk read bandwidth = 28.4127848466034 MB/s +*** Elapsed wall time = 1.508207 seconds +*** |--> S.join = 0.069819 seconds +*** |--> S.solve = 0.89084 seconds +*** |--> S.split = 0.223754 seconds +*** |--> Tensor update = 0.323501 seconds +*** |--> create = 0.020072 seconds +*** |--> destroy = 0.001976 seconds +*** |--> disk write = 0.011066 seconds +*** |--> disk read = 0.026052 seconds +*** |--> calc = 0.26429 seconds +*** Disk write bandwidth = 76.0167885619522 MB/s +*** Disk read bandwidth = 32.4284409883658 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.1539214028744e-11 +*** Energy difference with respect to previous leftright sweep = 2.06625827559037e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2009,51 +2048,51 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898032 - NOON of irrep Ag = [ 1.9999967224106 , 1.99571463016256 , 1.98497373603233 ]. - NOON of irrep B2g = [ 0.538989905115429 ]. - NOON of irrep B3g = [ 0.538989904960829 ]. - NOON of irrep B1u = [ 1.99999702947247 , 1.99149890562559 , 0.0194690668386958 ]. - NOON of irrep B2u = [ 1.46518504976843 ]. - NOON of irrep B3u = [ 1.46518504961305 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862740863614 , 0.058708937428943 , 0.0554792810019704 , 1.11957630007522 , 1.11957629999112 , 8.52797482357963e-05 , 0.0421718621308558 , 0.105000352895955 , 1.1126199584833 , 1.11261995856845 ]. - Idistance(0) = 4.60188108184767 - Idistance(1) = 17.7825010793899 - Idistance(2) = 85.6947708198228 + Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898033 + NOON of irrep Ag = [ 1.99999672240983 , 1.99571463013058 , 1.98497373606639 ]. + NOON of irrep B2g = [ 0.538989905149849 ]. + NOON of irrep B3g = [ 0.538989904925874 ]. + NOON of irrep B1u = [ 1.99999702947252 , 1.99149890562834 , 0.0194690668340042 ]. + NOON of irrep B2u = [ 1.46518504980421 ]. + NOON of irrep B3u = [ 1.4651850495784 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862745437098 , 0.0587089373230759 , 0.055479280980094 , 1.11957630009266 , 1.11957629997039 , 8.52797480575719e-05 , 0.0421718621301915 , 0.105000352889303 , 1.11261995846112 , 1.11261995858616 ]. + Idistance(0) = 4.60188108191223 + Idistance(1) = 17.7825010801108 + Idistance(2) = 85.6947708242443 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 2.038924 seconds -*** |--> MPS gauge change = 0.7037 seconds -*** |--> Diagram calc = 0.178085 seconds -*** |--> Tensor update = 1.156098 seconds -*** |--> create = 0.050349 seconds -*** |--> destroy = 0.004439 seconds -*** |--> disk write = 0.0317 seconds -*** |--> disk read = 0.04302 seconds -*** |--> calc = 1.026344 seconds -*** Disk write bandwidth = 54.0360892984769 MB/s -*** Disk read bandwidth = 39.817387976795 MB/s +*** Elapsed wall time = 1.374772 seconds +*** |--> MPS gauge change = 0.446124 seconds +*** |--> Diagram calc = 0.0935 seconds +*** |--> Tensor update = 0.834311 seconds +*** |--> create = 0.0492089999999999 seconds +*** |--> destroy = 0.004536 seconds +*** |--> disk write = 0.026648 seconds +*** |--> disk read = 0.022655 seconds +*** |--> calc = 0.731074 seconds +*** Disk write bandwidth = 64.2803974317667 MB/s +*** Disk read bandwidth = 75.609977080632 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 = 31.412004 seconds -FCI::matvec : Wall time = 29.831787 seconds -FCI::matvec : Wall time = 26.627886 seconds -FCI::matvec : Wall time = 25.955812 seconds -FCI::matvec : Wall time = 21.469915 seconds -FCI::matvec : Wall time = 0.697986 seconds -FCI::matvec : Wall time = 0.545538 seconds -FCI::matvec : Wall time = 4.103954 seconds -FCI::matvec : Wall time = 0.141555 seconds -FCI::matvec : Wall time = 0.189876 seconds -FCI::matvec : Wall time = 2.952923 seconds -FCI::matvec : Wall time = 0.047097 seconds -FCI::matvec : Wall time = 0.063442 seconds -FCI::matvec : Wall time = 10.897479 seconds -FCI::matvec : Wall time = 25.247701 seconds -FCI::matvec : Wall time = 30.783646 seconds -FCI::matvec : Wall time = 32.571635 seconds +FCI::matvec : Wall time = 25.652022 seconds +FCI::matvec : Wall time = 26.800164 seconds +FCI::matvec : Wall time = 34.941162 seconds +FCI::matvec : Wall time = 35.258531 seconds +FCI::matvec : Wall time = 25.431525 seconds +FCI::matvec : Wall time = 25.195854 seconds +FCI::matvec : Wall time = 24.983737 seconds +FCI::matvec : Wall time = 24.064803 seconds +FCI::matvec : Wall time = 24.546769 seconds +FCI::matvec : Wall time = 24.827685 seconds +FCI::matvec : Wall time = 56.015772 seconds +FCI::matvec : Wall time = 30.831698 seconds +FCI::matvec : Wall time = 25.45867 seconds +FCI::matvec : Wall time = 22.556583 seconds +FCI::matvec : Wall time = 24.25968 seconds +FCI::matvec : Wall time = 22.259618 seconds +FCI::matvec : Wall time = 22.015614 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 @@ -2075,177 +2114,177 @@ 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 -103.83039239444 - Stats: nIt(DAVIDSON) = 19 -Energy at sites (7, 8) is -106.985786347199 - Stats: nIt(DAVIDSON) = 20 -Energy at sites (6, 7) is -106.994531277744 Stats: nIt(DAVIDSON) = 12 -Energy at sites (5, 6) is -106.994707565029 - Stats: nIt(DAVIDSON) = 19 -Energy at sites (4, 5) is -106.996863589787 +Energy at sites (8, 9) is -104.013693406078 + Stats: nIt(DAVIDSON) = 21 +Energy at sites (7, 8) is -106.98355757666 Stats: nIt(DAVIDSON) = 19 -Energy at sites (3, 4) is -106.999288842299 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (2, 3) is -107.00787290647 +Energy at sites (6, 7) is -106.994492854861 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (5, 6) is -106.99478120598 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (4, 5) is -106.996759517357 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (3, 4) is -106.999123735349 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (2, 3) is -107.007874664256 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.00787290647 +Energy at sites (1, 2) is -107.007874664256 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 4.715779 seconds -*** |--> S.join = 0.112986 seconds -*** |--> S.solve = 3.793472 seconds -*** |--> S.split = 0.331692 seconds -*** |--> Tensor update = 0.47713 seconds -*** |--> create = 0.016034 seconds -*** |--> destroy = 0.001913 seconds -*** |--> disk write = 0.01264 seconds -*** |--> disk read = 0.035816 seconds -*** |--> calc = 0.410661 seconds -*** Disk write bandwidth = 15.4501275171207 MB/s -*** Disk read bandwidth = 5.42233185707418 MB/s -*** Minimum energy = -107.00787290647 +*** Elapsed wall time = 3.360583 seconds +*** |--> S.join = 0.080407 seconds +*** |--> S.solve = 2.687895 seconds +*** |--> S.split = 0.237846 seconds +*** |--> Tensor update = 0.354069 seconds +*** |--> create = 0.013095 seconds +*** |--> destroy = 0.001964 seconds +*** |--> disk write = 0.010061 seconds +*** |--> disk read = 0.008407 seconds +*** |--> calc = 0.320498 seconds +*** Disk write bandwidth = 19.4105567852506 MB/s +*** Disk read bandwidth = 23.1005397636456 MB/s +*** Minimum energy = -107.007874664256 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.00787290647 +Energy at sites (0, 1) is -107.007874664256 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.00787290647 +Energy at sites (1, 2) is -107.007874664256 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.00787290647 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.00787335607 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -107.007876720882 +Energy at sites (2, 3) is -107.007874664256 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (3, 4) is -107.007875286151 Stats: nIt(DAVIDSON) = 10 -Energy at sites (5, 6) is -107.007920324459 +Energy at sites (4, 5) is -107.007878423035 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (5, 6) is -107.007920317927 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.007920326576 +Energy at sites (6, 7) is -107.007920317974 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920326577 +Energy at sites (7, 8) is -107.007920317974 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 2.228169 seconds -*** |--> S.join = 0.080715 seconds -*** |--> S.solve = 1.348478 seconds -*** |--> S.split = 0.295874 seconds -*** |--> Tensor update = 0.502583 seconds -*** |--> create = 0.016443 seconds -*** |--> destroy = 0.001837 seconds -*** |--> disk write = 0.01325 seconds -*** |--> disk read = 0.032557 seconds -*** |--> calc = 0.438428 seconds -*** Disk write bandwidth = 14.6570745504127 MB/s -*** Disk read bandwidth = 5.99839087804178 MB/s -*** Minimum energy = -107.007920326577 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.007920326577 +*** Elapsed wall time = 1.952029 seconds +*** |--> S.join = 0.101831 seconds +*** |--> S.solve = 1.171178 seconds +*** |--> S.split = 0.268586 seconds +*** |--> Tensor update = 0.410115 seconds +*** |--> create = 0.01354 seconds +*** |--> destroy = 0.001966 seconds +*** |--> disk write = 0.010418 seconds +*** |--> disk read = 0.008786 seconds +*** |--> calc = 0.375362 seconds +*** Disk write bandwidth = 18.6414127272959 MB/s +*** Disk read bandwidth = 22.2273630567273 MB/s +*** Minimum energy = -107.007920317974 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 107.007920317974 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.007920326577 +Energy at sites (8, 9) is -107.007920317974 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920326577 +Energy at sites (7, 8) is -107.007920317974 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920326577 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -107.007920326616 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (4, 5) is -107.007920352597 +Energy at sites (6, 7) is -107.007920317974 + Stats: nIt(DAVIDSON) = 1 +Energy at sites (5, 6) is -107.007920317974 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (4, 5) is -107.007920341564 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.007920411643 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.007920596784 +Energy at sites (3, 4) is -107.007920395784 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (2, 3) is -107.007920596575 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596784 +Energy at sites (1, 2) is -107.007920596576 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 1.771622 seconds -*** |--> S.join = 0.116501 seconds -*** |--> S.solve = 0.860404 seconds -*** |--> S.split = 0.259756 seconds -*** |--> Tensor update = 0.534395 seconds -*** |--> create = 0.016292 seconds -*** |--> destroy = 0.001873 seconds -*** |--> disk write = 0.013098 seconds -*** |--> disk read = 0.068654 seconds -*** |--> calc = 0.434402 seconds -*** Disk write bandwidth = 14.9098802730498 MB/s -*** Disk read bandwidth = 2.82876799302253 MB/s -*** Minimum energy = -107.007920596784 +*** Elapsed wall time = 0.875089 seconds +*** |--> S.join = 0.04352 seconds +*** |--> S.solve = 0.473522 seconds +*** |--> S.split = 0.135061 seconds +*** |--> Tensor update = 0.222719 seconds +*** |--> create = 0.01286 seconds +*** |--> destroy = 0.001965 seconds +*** |--> disk write = 0.009985 seconds +*** |--> disk read = 0.008171 seconds +*** |--> calc = 0.189708 seconds +*** Disk write bandwidth = 19.558298629585 MB/s +*** Disk read bandwidth = 23.7677441920167 MB/s +*** Minimum energy = -107.007920596576 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.007920596784 +Energy at sites (0, 1) is -107.007920596576 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.007920596784 +Energy at sites (1, 2) is -107.007920596575 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.007920596784 +Energy at sites (2, 3) is -107.007920596576 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -107.007920596902 +Energy at sites (3, 4) is -107.007920596685 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.00792059693 +Energy at sites (4, 5) is -107.007920596722 Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -107.007920599397 +Energy at sites (5, 6) is -107.007920599391 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.007920599397 +Energy at sites (6, 7) is -107.007920599391 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.007920599397 +Energy at sites (7, 8) is -107.007920599391 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 1.576456 seconds -*** |--> S.join = 0.10674 seconds -*** |--> S.solve = 0.719789 seconds -*** |--> S.split = 0.273902 seconds -*** |--> Tensor update = 0.475435 seconds -*** |--> create = 0.01661 seconds -*** |--> destroy = 0.001894 seconds -*** |--> disk write = 0.012391 seconds -*** |--> disk read = 0.048041 seconds -*** |--> calc = 0.396424 seconds -*** Disk write bandwidth = 15.6731690576199 MB/s -*** Disk read bandwidth = 4.06506133961421 MB/s -*** Minimum energy = -107.007920599397 +*** Elapsed wall time = 1.312295 seconds +*** |--> S.join = 0.080374 seconds +*** |--> S.solve = 0.600017 seconds +*** |--> S.split = 0.24079 seconds +*** |--> Tensor update = 0.390806 seconds +*** |--> create = 0.013324 seconds +*** |--> destroy = 0.002032 seconds +*** |--> disk write = 0.010539 seconds +*** |--> disk read = 0.013206 seconds +*** |--> calc = 0.351656 seconds +*** Disk write bandwidth = 18.4273875882881 MB/s +*** Disk read bandwidth = 14.7879457683179 MB/s +*** Minimum energy = -107.007920599391 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.72820642521765e-07 +*** Energy difference with respect to previous leftright sweep = 2.81417129599504e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 631 -*** Minimum energy encountered during all instructions = -107.007920599397 -*** Minimum energy encountered during the last sweep = -107.007920599397 +*** Minimum energy encountered during all instructions = -107.007920599391 +*** Minimum energy encountered during the last sweep = -107.007920599391 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 7 -Energy at sites (8, 9) is -107.007920599399 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (8, 9) is -107.007920599392 Stats: nIt(DAVIDSON) = 8 -Energy at sites (7, 8) is -107.007920599401 +Energy at sites (7, 8) is -107.007920599395 Stats: nIt(DAVIDSON) = 14 -Energy at sites (6, 7) is -107.007920599402 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (5, 6) is -107.007920599403 +Energy at sites (6, 7) is -107.007920599399 Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -107.007920599403 +Energy at sites (5, 6) is -107.007920599399 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -107.007920599399 Stats: nIt(DAVIDSON) = 12 -Energy at sites (3, 4) is -107.007920599404 +Energy at sites (3, 4) is -107.0079205994 Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920599438 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 3.902965 seconds -*** |--> S.join = 0.136899 seconds -*** |--> S.solve = 2.907938 seconds -*** |--> S.split = 0.291807 seconds -*** |--> Tensor update = 0.565758 seconds -*** |--> create = 0.016463 seconds -*** |--> destroy = 0.001977 seconds -*** |--> disk write = 0.012318 seconds -*** |--> disk read = 0.031617 seconds -*** |--> calc = 0.503316 seconds -*** Disk write bandwidth = 15.8540032323759 MB/s -*** Disk read bandwidth = 6.14246252942938 MB/s +*** Elapsed wall time = 2.823686 seconds +*** |--> S.join = 0.0951570000000001 seconds +*** |--> S.solve = 2.075194 seconds +*** |--> S.split = 0.246152 seconds +*** |--> Tensor update = 0.406859 seconds +*** |--> create = 0.015601 seconds +*** |--> destroy = 0.00202 seconds +*** |--> disk write = 0.010673 seconds +*** |--> disk read = 0.009493 seconds +*** |--> calc = 0.369026 seconds +*** Disk write bandwidth = 18.2975369452269 MB/s +*** Disk read bandwidth = 20.4578360679415 MB/s *** Minimum energy = -107.007920599438 *** Maximum discarded weight = 0 ****************************************************************** @@ -2257,31 +2296,31 @@ Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.007920599438 - Stats: nIt(DAVIDSON) = 10 + Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.007920599438 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -107.007920599439 +Energy at sites (5, 6) is -107.007920599438 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 = 3.332681 seconds -*** |--> S.join = 0.143152 seconds -*** |--> S.solve = 2.179958 seconds -*** |--> S.split = 0.387777 seconds -*** |--> Tensor update = 0.621291 seconds -*** |--> create = 0.015899 seconds -*** |--> destroy = 0.001867 seconds -*** |--> disk write = 0.012355 seconds -*** |--> disk read = 0.036313 seconds -*** |--> calc = 0.554798 seconds -*** Disk write bandwidth = 15.7188375388886 MB/s -*** Disk read bandwidth = 5.37795312467729 MB/s +*** Elapsed wall time = 1.916078 seconds +*** |--> S.join = 0.081249 seconds +*** |--> S.solve = 1.23627 seconds +*** |--> S.split = 0.23164 seconds +*** |--> Tensor update = 0.366673 seconds +*** |--> create = 0.015655 seconds +*** |--> destroy = 0.001901 seconds +*** |--> disk write = 0.010704 seconds +*** |--> disk read = 0.015524 seconds +*** |--> calc = 0.322855 seconds +*** Disk write bandwidth = 18.1433331271458 MB/s +*** Disk read bandwidth = 12.5798513151511 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 4.14104306400986e-11 +*** Energy difference with respect to previous leftright sweep = 4.72653027827619e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2296,45 +2335,45 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439 - NOON of irrep Ag = [ 1.99999761728875 , 1.99817458672607 , 1.99099529644716 ]. - NOON of irrep B2g = [ 0.999157310967866 ]. - NOON of irrep B3g = [ 0.999157311000439 ]. - NOON of irrep B1u = [ 1.99999763398133 , 1.99356772578519 , 0.0151843205720043 ]. - NOON of irrep B2u = [ 1.00188409859921 ]. - NOON of irrep B3u = [ 1.00188409863197 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624782150339e-05 , 0.0439795110533055 , 0.0191227064564677 , 0.710073263284927 , 0.710073263097946 , 0.000114194275821064 , 0.0501988280623568 , 0.0847680578567754 , 0.709393186284715 , 0.709393186462549 ]. - Idistance(0) = 1.9674072417486 - Idistance(1) = 7.24682977165329 - Idistance(2) = 34.6048710009304 + NOON of irrep Ag = [ 1.99999761728568 , 1.99817458711044 , 1.99099529633436 ]. + NOON of irrep B2g = [ 0.99915731096162 ]. + NOON of irrep B3g = [ 0.999157310989964 ]. + NOON of irrep B1u = [ 1.99999763398153 , 1.99356772577727 , 0.0151843203244752 ]. + NOON of irrep B2u = [ 1.00188409860038 ]. + NOON of irrep B3u = [ 1.00188409863428 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624942993766e-05 , 0.0439795127635751 , 0.0191227046154156 , 0.710073263324967 , 0.71007326311064 , 0.000114194275589535 , 0.0501988277313263 , 0.0847680568385428 , 0.709393186301051 , 0.709393186505208 ]. + Idistance(0) = 1.96740723998054 + Idistance(1) = 7.24682976545786 + Idistance(2) = 34.6048709862886 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 2.04624 seconds -*** |--> MPS gauge change = 0.673685 seconds -*** |--> Diagram calc = 0.153414 seconds -*** |--> Tensor update = 1.21821 seconds -*** |--> create = 0.036772 seconds -*** |--> destroy = 0.003978 seconds -*** |--> disk write = 0.032234 seconds -*** |--> disk read = 0.129956 seconds -*** |--> calc = 1.014949 seconds -*** Disk write bandwidth = 12.6947501297882 MB/s -*** Disk read bandwidth = 3.14877786084208 MB/s +*** Elapsed wall time = 1.473866 seconds +*** |--> MPS gauge change = 0.488436 seconds +*** |--> Diagram calc = 0.121691 seconds +*** |--> Tensor update = 0.862905 seconds +*** |--> create = 0.04035 seconds +*** |--> destroy = 0.004185 seconds +*** |--> disk write = 0.024591 seconds +*** |--> disk read = 0.037434 seconds +*** |--> calc = 0.756194 seconds +*** Disk write bandwidth = 16.6403389729411 MB/s +*** Disk read bandwidth = 10.9313077866003 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 = 23.967999 seconds -FCI::matvec : Wall time = 24.584423 seconds -FCI::matvec : Wall time = 23.395367 seconds -FCI::matvec : Wall time = 24.047804 seconds -FCI::matvec : Wall time = 22.783914 seconds -FCI::matvec : Wall time = 21.007769 seconds -FCI::matvec : Wall time = 31.227845 seconds -FCI::matvec : Wall time = 33.363837 seconds -FCI::matvec : Wall time = 30.555885 seconds -FCI::matvec : Wall time = 24.6559 seconds -FCI::matvec : Wall time = 20.323729 seconds -FCI::matvec : Wall time = 27.227921 seconds +FCI::matvec : Wall time = 17.655989 seconds +FCI::matvec : Wall time = 17.031918 seconds +FCI::matvec : Wall time = 16.099944 seconds +FCI::matvec : Wall time = 16.927862 seconds +FCI::matvec : Wall time = 17.355901 seconds +FCI::matvec : Wall time = 17.307887 seconds +FCI::matvec : Wall time = 22.139851 seconds +FCI::matvec : Wall time = 22.107861 seconds +FCI::matvec : Wall time = 23.171865 seconds +FCI::matvec : Wall time = 23.323819 seconds +FCI::matvec : Wall time = 18.103399 seconds +FCI::matvec : Wall time = 17.838308 seconds FCI::GSDavidson : Converged ground state energy = -107.007920599438 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 @@ -2357,346 +2396,279 @@ 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 10 -Energy at sites (8, 9) is -103.807326648329 - Stats: nIt(DAVIDSON) = 22 -Energy at sites (7, 8) is -105.878171067011 - Stats: nIt(DAVIDSON) = 29 -Energy at sites (6, 7) is -105.903709586555 - Stats: nIt(DAVIDSON) = 64 -Energy at sites (5, 6) is -105.905320838979 - Stats: nIt(DAVIDSON) = 31 -Energy at sites (4, 5) is -106.13508077467 - Stats: nIt(DAVIDSON) = 39 -Energy at sites (3, 4) is -106.173773921008 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.173773943315 +Energy at sites (8, 9) is -99.3055311503342 + Stats: nIt(DAVIDSON) = 21 +Energy at sites (7, 8) is -105.798504045668 + Stats: nIt(DAVIDSON) = 40 +Energy at sites (6, 7) is -105.903957177765 + Stats: nIt(DAVIDSON) = 54 +Energy at sites (5, 6) is -105.906184786163 + Stats: nIt(DAVIDSON) = 36 +Energy at sites (4, 5) is -106.132735649448 + Stats: nIt(DAVIDSON) = 46 +Energy at sites (3, 4) is -106.183598617865 + Stats: nIt(DAVIDSON) = 5 +Energy at sites (2, 3) is -106.183598642307 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.173773943315 +Energy at sites (1, 2) is -106.183598642307 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 8.827994 seconds -*** |--> S.join = 0.117462 seconds -*** |--> S.solve = 7.730184 seconds -*** |--> S.split = 0.363692 seconds -*** |--> Tensor update = 0.616122 seconds -*** |--> create = 0.02147 seconds -*** |--> destroy = 0.001737 seconds -*** |--> disk write = 0.012476 seconds -*** |--> disk read = 0.047614 seconds -*** |--> calc = 0.532757 seconds -*** Disk write bandwidth = 16.1797467543934 MB/s -*** Disk read bandwidth = 4.21672504902707 MB/s -*** Minimum energy = -106.173773943315 +*** Elapsed wall time = 4.547183 seconds +*** |--> S.join = 0.068387 seconds +*** |--> S.solve = 3.996422 seconds +*** |--> S.split = 0.196822 seconds +*** |--> Tensor update = 0.285178 seconds +*** |--> create = 0.016755 seconds +*** |--> destroy = 0.00226 seconds +*** |--> disk write = 0.011733 seconds +*** |--> disk read = 0.013284 seconds +*** |--> calc = 0.241091 seconds +*** Disk write bandwidth = 17.2043399393005 MB/s +*** Disk read bandwidth = 15.1140580009316 MB/s +*** Minimum energy = -106.183598642307 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.173773943315 +Energy at sites (0, 1) is -106.183598642307 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.173773943315 +Energy at sites (1, 2) is -106.183598642307 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.173773943315 +Energy at sites (2, 3) is -106.183598642307 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.173773943315 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -106.173935021877 +Energy at sites (3, 4) is -106.183598642307 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (4, 5) is -106.183661375351 Stats: nIt(DAVIDSON) = 12 -Energy at sites (5, 6) is -106.191381819451 +Energy at sites (5, 6) is -106.191458049752 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -106.19138181949 +Energy at sites (6, 7) is -106.191458050115 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.19138181949 +Energy at sites (7, 8) is -106.191458050116 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 2.712658 seconds -*** |--> S.join = 0.14756 seconds -*** |--> S.solve = 1.548162 seconds -*** |--> S.split = 0.382574 seconds -*** |--> Tensor update = 0.633767 seconds -*** |--> create = 0.018887 seconds -*** |--> destroy = 0.001857 seconds -*** |--> disk write = 0.013579 seconds -*** |--> disk read = 0.05009 seconds -*** |--> calc = 0.54928 seconds -*** Disk write bandwidth = 14.7857092926118 MB/s -*** Disk read bandwidth = 4.02991656034762 MB/s -*** Minimum energy = -106.19138181949 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 106.19138181949 +*** Elapsed wall time = 1.960146 seconds +*** |--> S.join = 0.096569 seconds +*** |--> S.solve = 1.164295 seconds +*** |--> S.split = 0.263744 seconds +*** |--> Tensor update = 0.435127 seconds +*** |--> create = 0.016295 seconds +*** |--> destroy = 0.010209 seconds +*** |--> disk write = 0.010933 seconds +*** |--> disk read = 0.013062 seconds +*** |--> calc = 0.384578 seconds +*** Disk write bandwidth = 18.3641403534597 MB/s +*** Disk read bandwidth = 15.4538754025274 MB/s +*** Minimum energy = -106.191458050116 +*** Maximum discarded weight = 0 +*** Energy difference with respect to previous leftright sweep = 106.191458050116 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.19138181949 +Energy at sites (8, 9) is -106.191458050115 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.19138181949 +Energy at sites (7, 8) is -106.191458050115 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.19138181949 +Energy at sites (6, 7) is -106.191458050115 Stats: nIt(DAVIDSON) = 1 -Energy at sites (5, 6) is -106.19138181949 - Stats: nIt(DAVIDSON) = 10 -Energy at sites (4, 5) is -106.191446704348 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (3, 4) is -106.191465509835 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -106.191465513436 +Energy at sites (5, 6) is -106.191458050115 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (4, 5) is -106.191462338853 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (3, 4) is -106.191466410872 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (2, 3) is -106.191466418632 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191465513436 +Energy at sites (1, 2) is -106.191466418632 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 2.199465 seconds -*** |--> S.join = 0.127546 seconds -*** |--> S.solve = 1.22986 seconds -*** |--> S.split = 0.284032 seconds -*** |--> Tensor update = 0.55748 seconds -*** |--> create = 0.016008 seconds -*** |--> destroy = 0.002007 seconds -*** |--> disk write = 0.012572 seconds -*** |--> disk read = 0.052355 seconds -*** |--> calc = 0.474463 seconds -*** Disk write bandwidth = 16.0561979404878 MB/s -*** Disk read bandwidth = 3.83488007801308 MB/s -*** Minimum energy = -106.191465513436 +*** Elapsed wall time = 2.075397 seconds +*** |--> S.join = 0.103152 seconds +*** |--> S.solve = 1.136667 seconds +*** |--> S.split = 0.287459 seconds +*** |--> Tensor update = 0.54768 seconds +*** |--> create = 0.031892 seconds +*** |--> destroy = 0.002098 seconds +*** |--> disk write = 0.012001 seconds +*** |--> disk read = 0.055036 seconds +*** |--> calc = 0.446584 seconds +*** Disk write bandwidth = 16.8201416971763 MB/s +*** Disk read bandwidth = 3.64806938157524 MB/s +*** Minimum energy = -106.191466418632 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191465513436 +Energy at sites (0, 1) is -106.191466418632 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191465513436 +Energy at sites (1, 2) is -106.191466418632 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191465513436 +Energy at sites (2, 3) is -106.191466418632 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.191465513436 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (4, 5) is -106.191465526494 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -106.191466539731 +Energy at sites (3, 4) is -106.191466418632 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (4, 5) is -106.191466419565 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (5, 6) is -106.191466567095 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466539732 +Energy at sites (6, 7) is -106.191466567095 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466539731 +Energy at sites (7, 8) is -106.191466567095 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 1.840077 seconds -*** |--> S.join = 0.115963 seconds -*** |--> S.solve = 0.940737 seconds -*** |--> S.split = 0.300269 seconds -*** |--> Tensor update = 0.482551 seconds -*** |--> create = 0.016638 seconds -*** |--> destroy = 0.001821 seconds -*** |--> disk write = 0.013794 seconds -*** |--> disk read = 0.040903 seconds -*** |--> calc = 0.40932 seconds -*** Disk write bandwidth = 14.5552520287353 MB/s -*** Disk read bandwidth = 4.93505416492219 MB/s -*** Minimum energy = -106.191466539732 +*** Elapsed wall time = 1.252036 seconds +*** |--> S.join = 0.082686 seconds +*** |--> S.solve = 0.58022 seconds +*** |--> S.split = 0.223944 seconds +*** |--> Tensor update = 0.364859 seconds +*** |--> create = 0.016011 seconds +*** |--> destroy = 0.00209 seconds +*** |--> disk write = 0.010666 seconds +*** |--> disk read = 0.021072 seconds +*** |--> calc = 0.314971 seconds +*** Disk write bandwidth = 18.8238464733147 MB/s +*** Disk read bandwidth = 9.57946661483544 MB/s +*** Minimum energy = -106.191466567095 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 8.4720241687819e-05 +*** Energy difference with respect to previous leftright sweep = 8.51697961934406e-06 ****************************************************************** *** 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 = -106.191466539732 -*** Minimum energy encountered during the last sweep = -106.191466539732 +*** Minimum energy encountered during all instructions = -106.191466567095 +*** Minimum energy encountered during the last sweep = -106.191466567095 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 9 -Energy at sites (8, 9) is -106.191466539759 +Energy at sites (8, 9) is -106.191466567116 Stats: nIt(DAVIDSON) = 10 -Energy at sites (7, 8) is -106.191466539771 - Stats: nIt(DAVIDSON) = 9 -Energy at sites (6, 7) is -106.191466539773 +Energy at sites (7, 8) is -106.191466567119 + Stats: nIt(DAVIDSON) = 11 +Energy at sites (6, 7) is -106.191466567125 Stats: nIt(DAVIDSON) = 13 -Energy at sites (5, 6) is -106.191466539777 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (4, 5) is -106.191466563195 - Stats: nIt(DAVIDSON) = 19 -Energy at sites (3, 4) is -106.191466573621 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (2, 3) is -106.191466573622 +Energy at sites (5, 6) is -106.191466567128 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (4, 5) is -106.191466571524 + Stats: nIt(DAVIDSON) = 18 +Energy at sites (3, 4) is -106.191466575423 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (2, 3) is -106.191466575423 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466573622 +Energy at sites (1, 2) is -106.191466575424 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 3.551657 seconds -*** |--> S.join = 0.122251 seconds -*** |--> S.solve = 2.660492 seconds -*** |--> S.split = 0.304626 seconds -*** |--> Tensor update = 0.463774 seconds -*** |--> create = 0.016639 seconds -*** |--> destroy = 0.001981 seconds -*** |--> disk write = 0.012588 seconds -*** |--> disk read = 0.039355 seconds -*** |--> calc = 0.393142 seconds -*** Disk write bandwidth = 16.0357896812689 MB/s -*** Disk read bandwidth = 5.10164264983801 MB/s -*** Minimum energy = -106.191466573622 +*** Elapsed wall time = 2.088444 seconds +*** |--> S.join = 0.07088 seconds +*** |--> S.solve = 1.548334 seconds +*** |--> S.split = 0.175788 seconds +*** |--> Tensor update = 0.293149 seconds +*** |--> create = 0.015729 seconds +*** |--> destroy = 0.001999 seconds +*** |--> disk write = 0.010407 seconds +*** |--> disk read = 0.021003 seconds +*** |--> calc = 0.243973 seconds +*** Disk write bandwidth = 19.3964178445097 MB/s +*** Disk read bandwidth = 9.55935563892658 MB/s +*** Minimum energy = -106.191466575424 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.191466573622 +Energy at sites (0, 1) is -106.191466575424 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.191466573622 +Energy at sites (1, 2) is -106.191466575424 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.191466573622 +Energy at sites (2, 3) is -106.191466575424 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -106.191466573622 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (4, 5) is -106.191466573625 - Stats: nIt(DAVIDSON) = 18 -Energy at sites (5, 6) is -106.191466575794 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (6, 7) is -106.191466575794 +Energy at sites (3, 4) is -106.191466575423 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (4, 5) is -106.191466575425 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (5, 6) is -106.191466575918 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (6, 7) is -106.191466575918 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575794 +Energy at sites (7, 8) is -106.191466575918 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 2.479559 seconds -*** |--> S.join = 0.108657 seconds -*** |--> S.solve = 1.5964 seconds -*** |--> S.split = 0.299521 seconds -*** |--> Tensor update = 0.474483 seconds -*** |--> create = 0.015795 seconds -*** |--> destroy = 0.001888 seconds -*** |--> disk write = 0.01184 seconds -*** |--> disk read = 0.025748 seconds -*** |--> calc = 0.419154 seconds -*** Disk write bandwidth = 16.9573603449641 MB/s -*** Disk read bandwidth = 7.83977475950802 MB/s -*** Minimum energy = -106.191466575794 +*** Elapsed wall time = 1.315937 seconds +*** |--> S.join = 0.062455 seconds +*** |--> S.solve = 0.850699 seconds +*** |--> S.split = 0.149386 seconds +*** |--> Tensor update = 0.253083 seconds +*** |--> create = 0.016486 seconds +*** |--> destroy = 0.002244 seconds +*** |--> disk write = 0.011619 seconds +*** |--> disk read = 0.014014 seconds +*** |--> calc = 0.208674 seconds +*** Disk write bandwidth = 17.2798990002905 MB/s +*** Disk read bandwidth = 14.4040616888692 MB/s +*** Minimum energy = -106.191466575918 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 3.60624881068361e-08 +*** Energy difference with respect to previous leftright sweep = 8.82317863215576e-09 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.191466575794 +Energy at sites (8, 9) is -106.191466575918 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.191466575794 +Energy at sites (7, 8) is -106.191466575918 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.191466575794 - Stats: nIt(DAVIDSON) = 3 -Energy at sites (5, 6) is -106.191466575794 - Stats: nIt(DAVIDSON) = 15 -Energy at sites (4, 5) is -106.191466575912 +Energy at sites (6, 7) is -106.191466575918 + Stats: nIt(DAVIDSON) = 2 +Energy at sites (5, 6) is -106.191466575918 + Stats: nIt(DAVIDSON) = 14 +Energy at sites (4, 5) is -106.191466575935 Stats: nIt(DAVIDSON) = 15 -Energy at sites (3, 4) is -106.19146657594 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (2, 3) is -106.19146657594 +Energy at sites (3, 4) is -106.191466575948 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (2, 3) is -106.191466575948 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.19146657594 +Energy at sites (1, 2) is -106.191466575948 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 2.764011 seconds -*** |--> S.join = 0.108965 seconds -*** |--> S.solve = 1.832405 seconds -*** |--> S.split = 0.324443 seconds -*** |--> Tensor update = 0.497707 seconds -*** |--> create = 0.015069 seconds -*** |--> destroy = 0.001788 seconds -*** |--> disk write = 0.012266 seconds -*** |--> disk read = 0.026326 seconds -*** |--> calc = 0.4422 seconds -*** Disk write bandwidth = 16.4567520387912 MB/s -*** Disk read bandwidth = 7.62649648576977 MB/s -*** Minimum energy = -106.19146657594 +*** Elapsed wall time = 1.743229 seconds +*** |--> S.join = 0.08196 seconds +*** |--> S.solve = 1.068105 seconds +*** |--> S.split = 0.219132 seconds +*** |--> Tensor update = 0.373639 seconds +*** |--> create = 0.015249 seconds +*** |--> destroy = 0.002219 seconds +*** |--> disk write = 0.011137 seconds +*** |--> disk read = 0.010046 seconds +*** |--> calc = 0.334933 seconds +*** Disk write bandwidth = 18.1250355129579 MB/s +*** Disk read bandwidth = 19.9855809759481 MB/s +*** Minimum energy = -106.191466575948 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.19146657594 +Energy at sites (0, 1) is -106.191466575948 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.19146657594 +Energy at sites (1, 2) is -106.191466575948 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.19146657594 +Energy at sites (2, 3) is -106.191466575948 Stats: nIt(DAVIDSON) = 2 -Energy at sites (3, 4) is -106.191466575939 +Energy at sites (3, 4) is -106.191466575948 Stats: nIt(DAVIDSON) = 9 -Energy at sites (4, 5) is -106.19146657594 - Stats: nIt(DAVIDSON) = 15 +Energy at sites (4, 5) is -106.191466575948 + Stats: nIt(DAVIDSON) = 14 Energy at sites (5, 6) is -106.19146657595 Stats: nIt(DAVIDSON) = 3 -Energy at sites (6, 7) is -106.191466575949 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.19146657595 -****************************************************************** -*** Information on right sweep 1 of instruction 1: -*** Elapsed wall time = 2.44808 seconds -*** |--> S.join = 0.12363 seconds -*** |--> S.solve = 1.464376 seconds -*** |--> S.split = 0.323891 seconds -*** |--> Tensor update = 0.535676 seconds -*** |--> create = 0.015401 seconds -*** |--> destroy = 0.001656 seconds -*** |--> disk write = 0.011941 seconds -*** |--> disk read = 0.026576 seconds -*** |--> calc = 0.480045 seconds -*** Disk write bandwidth = 16.8139306996378 MB/s -*** Disk read bandwidth = 7.59551928461065 MB/s -*** Minimum energy = -106.19146657595 -*** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.55665702550323e-10 -****************************************************************** - Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -106.19146657595 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -106.19146657595 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -106.19146657595 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -106.19146657595 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -106.19146657595 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (3, 4) is -106.19146657595 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (2, 3) is -106.19146657595 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.19146657595 -****************************************************************** -*** Information on left sweep 2 of instruction 1: -*** Elapsed wall time = 2.687921 seconds -*** |--> S.join = 0.145055 seconds -*** |--> S.solve = 1.69636 seconds -*** |--> S.split = 0.327878 seconds -*** |--> Tensor update = 0.518123 seconds -*** |--> create = 0.014869 seconds -*** |--> destroy = 0.002772 seconds -*** |--> disk write = 0.012708 seconds -*** |--> disk read = 0.008873 seconds -*** |--> calc = 0.478847 seconds -*** Disk write bandwidth = 15.8843657938159 MB/s -*** Disk read bandwidth = 22.6276509054857 MB/s -*** Minimum energy = -106.19146657595 -*** Maximum discarded weight = 0 -****************************************************************** - Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -106.19146657595 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -106.19146657595 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -106.19146657595 - Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -106.19146657595 - Stats: nIt(DAVIDSON) = 5 -Energy at sites (4, 5) is -106.19146657595 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -106.19146657595 - Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19146657595 ****************************************************************** -*** Information on right sweep 2 of instruction 1: -*** Elapsed wall time = 1.815645 seconds -*** |--> S.join = 0.105362 seconds -*** |--> S.solve = 1.00426 seconds -*** |--> S.split = 0.251975 seconds -*** |--> Tensor update = 0.453556 seconds -*** |--> create = 0.016616 seconds -*** |--> destroy = 0.001541 seconds -*** |--> disk write = 0.011831 seconds -*** |--> disk read = 0.047128 seconds -*** |--> calc = 0.376371 seconds -*** Disk write bandwidth = 16.9702600358697 MB/s -*** Disk read bandwidth = 4.28319726081761 MB/s +*** Information on right sweep 1 of instruction 1: +*** Elapsed wall time = 1.508067 seconds +*** |--> S.join = 0.076737 seconds +*** |--> S.solve = 0.918505 seconds +*** |--> S.split = 0.204031 seconds +*** |--> Tensor update = 0.308511 seconds +*** |--> create = 0.01598 seconds +*** |--> destroy = 0.002056 seconds +*** |--> disk write = 0.010796 seconds +*** |--> disk read = 0.013035 seconds +*** |--> calc = 0.266602 seconds +*** Disk write bandwidth = 18.5971791852885 MB/s +*** Disk read bandwidth = 15.4858857313243 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 5.11590769747272e-13 +*** Energy difference with respect to previous leftright sweep = 3.18038928526221e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -2710,54 +2682,54 @@ ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 - Econst + 0.5 * trace(2DM-A * Ham) = -106.191466575951 - NOON of irrep Ag = [ 1.99999399659708 , 1.99366325651146 , 1.87190049168491 ]. - NOON of irrep B2g = [ 0.58481427185174 ]. - NOON of irrep B3g = [ 0.584814292909111 ]. - NOON of irrep B1u = [ 1.99999783389178 , 1.12096429160173 , 1.00219410743886 ]. - NOON of irrep B2u = [ 1.4208287183678 ]. - NOON of irrep B3u = [ 1.42082873914552 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128195028681e-05 , 0.0722109533903576 , 0.460791909017773 , 1.13075778942371 , 1.13075780008532 , 6.17502955250311e-05 , 0.977139014562661 , 0.735936481552319 , 1.12042723803488 , 1.12042722760416 ]. - Idistance(0) = 5.65234392859301 - Idistance(1) = 19.8382956236499 - Idistance(2) = 88.8195402141485 + Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595 + NOON of irrep Ag = [ 1.99999399658993 , 1.99366324718392 , 1.87190045316218 ]. + NOON of irrep B2g = [ 0.58481432436807 ]. + NOON of irrep B3g = [ 0.584814281548517 ]. + NOON of irrep B1u = [ 1.99999783389229 , 1.12096430414791 , 1.00219409637937 ]. + NOON of irrep B2u = [ 1.42082874576767 ]. + NOON of irrep B3u = [ 1.42082871696012 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17129093408271e-05 , 0.0722109848415351 , 0.460792029498004 , 1.13075784985474 , 1.13075781010324 , 6.17502879895734e-05 , 0.977139030457328 , 0.735936538826962 , 1.12042721889573 , 1.12042723432701 ]. + Idistance(0) = 5.65234424813853 + Idistance(1) = 19.8382965349991 + Idistance(2) = 88.819544590447 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 1.798204 seconds -*** |--> MPS gauge change = 0.608769 seconds -*** |--> Diagram calc = 0.117124 seconds -*** |--> Tensor update = 1.071346 seconds -*** |--> create = 0.043994 seconds -*** |--> destroy = 0.004669 seconds -*** |--> disk write = 0.028791 seconds -*** |--> disk read = 0.075697 seconds -*** |--> calc = 0.917968999999999 seconds -*** Disk write bandwidth = 14.6691811005664 MB/s -*** Disk read bandwidth = 5.57935444028702 MB/s +*** Elapsed wall time = 1.031474 seconds +*** |--> MPS gauge change = 0.339563 seconds +*** |--> Diagram calc = 0.069801 seconds +*** |--> Tensor update = 0.621219 seconds +*** |--> create = 0.035962 seconds +*** |--> destroy = 0.004409 seconds +*** |--> disk write = 0.025148 seconds +*** |--> disk read = 0.020542 seconds +*** |--> calc = 0.535012 seconds +*** Disk write bandwidth = 16.794194093622 MB/s +*** Disk read bandwidth = 20.5598477785224 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 = 23.399953 seconds -FCI::matvec : Wall time = 24.168051 seconds -FCI::matvec : Wall time = 24.311744 seconds -FCI::matvec : Wall time = 23.563827 seconds -FCI::matvec : Wall time = 24.47592 seconds -FCI::matvec : Wall time = 20.879852 seconds -FCI::matvec : Wall time = 19.995874 seconds -FCI::matvec : Wall time = 19.923837 seconds -FCI::matvec : Wall time = 20.012552 seconds -FCI::matvec : Wall time = 24.591167 seconds -FCI::matvec : Wall time = 26.699799 seconds -FCI::matvec : Wall time = 24.443807 seconds -FCI::matvec : Wall time = 24.311789 seconds -FCI::matvec : Wall time = 25.03179 seconds -FCI::matvec : Wall time = 23.447735 seconds -FCI::matvec : Wall time = 19.867769 seconds -FCI::matvec : Wall time = 23.267765 seconds -FCI::matvec : Wall time = 24.387725 seconds +FCI::matvec : Wall time = 0.379022 seconds +FCI::matvec : Wall time = 0.028598 seconds +FCI::matvec : Wall time = 0.023527 seconds +FCI::matvec : Wall time = 0.023105 seconds +FCI::matvec : Wall time = 0.039068 seconds +FCI::matvec : Wall time = 0.021327 seconds +FCI::matvec : Wall time = 0.024207 seconds +FCI::matvec : Wall time = 0.014749 seconds +FCI::matvec : Wall time = 18.673838 seconds +FCI::matvec : Wall time = 17.659824 seconds +FCI::matvec : Wall time = 16.159854 seconds +FCI::matvec : Wall time = 15.507844 seconds +FCI::matvec : Wall time = 18.871798 seconds +FCI::matvec : Wall time = 15.871789 seconds +FCI::matvec : Wall time = 17.363853 seconds +FCI::matvec : Wall time = 25.607761 seconds +FCI::matvec : Wall time = 24.435702 seconds +FCI::matvec : Wall time = 21.239671 seconds FCI::GSDavidson : Converged ground state energy = -106.19146657595 -FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000001 and intended S(S+1) = 6 +FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6 and intended S(S+1) = 6 Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry @@ -2777,244 +2749,244 @@ with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. - Stats: nIt(DAVIDSON) = 14 -Energy at sites (8, 9) is -104.107382191645 - Stats: nIt(DAVIDSON) = 32 -Energy at sites (7, 8) is -106.574157444654 - Stats: nIt(DAVIDSON) = 31 -Energy at sites (6, 7) is -106.778567994414 - Stats: nIt(DAVIDSON) = 58 -Energy at sites (5, 6) is -107.226704151443 + Stats: nIt(DAVIDSON) = 17 +Energy at sites (8, 9) is -104.633341450574 + Stats: nIt(DAVIDSON) = 26 +Energy at sites (7, 8) is -106.58161542043 + Stats: nIt(DAVIDSON) = 41 +Energy at sites (6, 7) is -106.778046493921 + Stats: nIt(DAVIDSON) = 63 +Energy at sites (5, 6) is -107.158219234719 Stats: nIt(DAVIDSON) = 30 -Energy at sites (4, 5) is -107.345518609851 +Energy at sites (4, 5) is -107.345817220148 Stats: nIt(DAVIDSON) = 18 -Energy at sites (3, 4) is -107.345635492224 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (2, 3) is -107.345636906751 +Energy at sites (3, 4) is -107.345935999343 + Stats: nIt(DAVIDSON) = 9 +Energy at sites (2, 3) is -107.345937417047 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.345636906752 +Energy at sites (1, 2) is -107.345937417047 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 8.891848 seconds -*** |--> S.join = 0.161486 seconds -*** |--> S.solve = 7.697507 seconds -*** |--> S.split = 0.383052 seconds -*** |--> Tensor update = 0.649327 seconds -*** |--> create = 0.020063 seconds -*** |--> destroy = 0.001776 seconds -*** |--> disk write = 0.012551 seconds -*** |--> disk read = 0.063006 seconds -*** |--> calc = 0.551862 seconds -*** Disk write bandwidth = 65.2367636916381 MB/s -*** Disk read bandwidth = 12.9378576435801 MB/s -*** Minimum energy = -107.345636906752 +*** Elapsed wall time = 5.723946 seconds +*** |--> S.join = 0.089037 seconds +*** |--> S.solve = 4.977963 seconds +*** |--> S.split = 0.252177 seconds +*** |--> Tensor update = 0.404454 seconds +*** |--> create = 0.018269 seconds +*** |--> destroy = 0.002138 seconds +*** |--> disk write = 0.01112 seconds +*** |--> disk read = 0.014968 seconds +*** |--> calc = 0.357876 seconds +*** Disk write bandwidth = 73.6318903861286 MB/s +*** Disk read bandwidth = 54.4603593460319 MB/s +*** Minimum energy = -107.345937417047 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.345636906752 +Energy at sites (0, 1) is -107.345937417047 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.345636906752 +Energy at sites (1, 2) is -107.345937417047 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.345636906752 +Energy at sites (2, 3) is -107.345937417047 Stats: nIt(DAVIDSON) = 4 -Energy at sites (3, 4) is -107.345636908761 +Energy at sites (3, 4) is -107.345937419165 Stats: nIt(DAVIDSON) = 4 -Energy at sites (4, 5) is -107.34563696733 - Stats: nIt(DAVIDSON) = 11 -Energy at sites (5, 6) is -107.346319337851 +Energy at sites (4, 5) is -107.345937475091 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (5, 6) is -107.346320583996 Stats: nIt(DAVIDSON) = 5 -Energy at sites (6, 7) is -107.346324267981 +Energy at sites (6, 7) is -107.346325329406 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346324267981 +Energy at sites (7, 8) is -107.346325329407 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 2.911983 seconds -*** |--> S.join = 0.149437 seconds -*** |--> S.solve = 1.700231 seconds -*** |--> S.split = 0.382901 seconds -*** |--> Tensor update = 0.678946 seconds -*** |--> create = 0.037057 seconds -*** |--> destroy = 0.001588 seconds -*** |--> disk write = 0.012394 seconds -*** |--> disk read = 0.058371 seconds -*** |--> calc = 0.569458 seconds -*** Disk write bandwidth = 65.770748643812 MB/s -*** Disk read bandwidth = 14.0272844579286 MB/s -*** Minimum energy = -107.346324267981 +*** Elapsed wall time = 1.844939 seconds +*** |--> S.join = 0.088331 seconds +*** |--> S.solve = 1.064939 seconds +*** |--> S.split = 0.265945 seconds +*** |--> Tensor update = 0.42536 seconds +*** |--> create = 0.022653 seconds +*** |--> destroy = 0.002391 seconds +*** |--> disk write = 0.013558 seconds +*** |--> disk read = 0.010362 seconds +*** |--> calc = 0.376327 seconds +*** Disk write bandwidth = 60.1241081790387 MB/s +*** Disk read bandwidth = 79.0182031551583 MB/s +*** Minimum energy = -107.346325329407 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.346324267981 +*** Energy difference with respect to previous leftright sweep = 107.346325329407 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.346324267981 +Energy at sites (8, 9) is -107.346325329407 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346324267981 +Energy at sites (7, 8) is -107.346325329407 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.346324267981 - Stats: nIt(DAVIDSON) = 4 -Energy at sites (5, 6) is -107.346324272809 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.346325930643 +Energy at sites (6, 7) is -107.346325329407 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.346326102474 +Energy at sites (5, 6) is -107.346325333544 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (4, 5) is -107.346326066017 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -107.346326106822 Stats: nIt(DAVIDSON) = 2 -Energy at sites (2, 3) is -107.34632610256 +Energy at sites (2, 3) is -107.346326106942 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.34632610256 +Energy at sites (1, 2) is -107.346326106942 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 2.647712 seconds -*** |--> S.join = 0.125641 seconds -*** |--> S.solve = 1.466856 seconds -*** |--> S.split = 0.411019 seconds -*** |--> Tensor update = 0.639824 seconds -*** |--> create = 0.019941 seconds -*** |--> destroy = 0.001795 seconds -*** |--> disk write = 0.0124600000000001 seconds -*** |--> disk read = 0.058575 seconds -*** |--> calc = 0.54696 seconds -*** Disk write bandwidth = 65.7132119657902 MB/s -*** Disk read bandwidth = 13.916562675056 MB/s -*** Minimum energy = -107.34632610256 +*** Elapsed wall time = 1.996066 seconds +*** |--> S.join = 0.105066 seconds +*** |--> S.solve = 1.004374 seconds +*** |--> S.split = 0.339793 seconds +*** |--> Tensor update = 0.546307 seconds +*** |--> create = 0.024976 seconds +*** |--> destroy = 0.002802 seconds +*** |--> disk write = 0.015264 seconds +*** |--> disk read = 0.045772 seconds +*** |--> calc = 0.457414 seconds +*** Disk write bandwidth = 53.6416811513201 MB/s +*** Disk read bandwidth = 17.8091990450801 MB/s +*** Minimum energy = -107.346326106942 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.34632610256 +Energy at sites (0, 1) is -107.346326106942 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.34632610256 +Energy at sites (1, 2) is -107.346326106942 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.34632610256 +Energy at sites (2, 3) is -107.346326106942 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.34632610256 +Energy at sites (3, 4) is -107.346326106942 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.346326102637 +Energy at sites (4, 5) is -107.346326106959 Stats: nIt(DAVIDSON) = 4 -Energy at sites (5, 6) is -107.346326114324 +Energy at sites (5, 6) is -107.346326114705 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.346326114882 +Energy at sites (6, 7) is -107.346326114873 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326114882 +Energy at sites (7, 8) is -107.346326114872 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 2.260048 seconds -*** |--> S.join = 0.135785 seconds -*** |--> S.solve = 1.080987 seconds -*** |--> S.split = 0.392074 seconds -*** |--> Tensor update = 0.650791 seconds -*** |--> create = 0.031319 seconds -*** |--> destroy = 0.001723 seconds -*** |--> disk write = 0.01192 seconds -*** |--> disk read = 0.033961 seconds -*** |--> calc = 0.571807 seconds -*** Disk write bandwidth = 68.3861290848495 MB/s -*** Disk read bandwidth = 24.1096145900813 MB/s -*** Minimum energy = -107.346326114882 +*** Elapsed wall time = 2.475708 seconds +*** |--> S.join = 0.13284 seconds +*** |--> S.solve = 1.174206 seconds +*** |--> S.split = 0.39754 seconds +*** |--> Tensor update = 0.770557 seconds +*** |--> create = 0.054004 seconds +*** |--> destroy = 0.002253 seconds +*** |--> disk write = 0.015327 seconds +*** |--> disk read = 0.033839 seconds +*** |--> calc = 0.665045 seconds +*** Disk write bandwidth = 53.1847497025776 MB/s +*** Disk read bandwidth = 24.1965371640341 MB/s +*** Minimum energy = -107.346326114873 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.84690154014788e-06 +*** Energy difference with respect to previous leftright sweep = 7.85465744002067e-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 = -107.346326114882 -*** Minimum energy encountered during the last sweep = -107.346326114882 +*** Minimum energy encountered during all instructions = -107.346326114873 +*** Minimum energy encountered during the last sweep = -107.346326114873 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** - Stats: nIt(DAVIDSON) = 8 -Energy at sites (8, 9) is -107.346326114886 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (8, 9) is -107.346326114874 Stats: nIt(DAVIDSON) = 9 -Energy at sites (7, 8) is -107.346326114891 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (6, 7) is -107.346326114896 +Energy at sites (7, 8) is -107.346326114875 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (6, 7) is -107.346326114877 Stats: nIt(DAVIDSON) = 19 -Energy at sites (5, 6) is -107.346326114914 +Energy at sites (5, 6) is -107.346326114884 Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.34632611502 - Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -107.346326115023 +Energy at sites (4, 5) is -107.346326115021 + Stats: nIt(DAVIDSON) = 12 +Energy at sites (3, 4) is -107.346326115021 Stats: nIt(DAVIDSON) = 8 -Energy at sites (2, 3) is -107.346326115023 +Energy at sites (2, 3) is -107.346326115022 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115023 +Energy at sites (1, 2) is -107.346326115022 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 5.068195 seconds -*** |--> S.join = 0.132962 seconds -*** |--> S.solve = 3.840517 seconds -*** |--> S.split = 0.415747 seconds -*** |--> Tensor update = 0.678437 seconds -*** |--> create = 0.019645 seconds -*** |--> destroy = 0.001902 seconds -*** |--> disk write = 0.013387 seconds -*** |--> disk read = 0.07493 seconds -*** |--> calc = 0.568503 seconds -*** Disk write bandwidth = 61.1628162466385 MB/s -*** Disk read bandwidth = 10.8789891724464 MB/s -*** Minimum energy = -107.346326115023 +*** Elapsed wall time = 7.143561 seconds +*** |--> S.join = 0.227867 seconds +*** |--> S.solve = 5.412939 seconds +*** |--> S.split = 0.531841 seconds +*** |--> Tensor update = 0.970202 seconds +*** |--> create = 0.07456 seconds +*** |--> destroy = 0.002333 seconds +*** |--> disk write = 0.015341 seconds +*** |--> disk read = 0.030223 seconds +*** |--> calc = 0.847655 seconds +*** Disk write bandwidth = 53.3724412420149 MB/s +*** Disk read bandwidth = 26.9715997317078 MB/s +*** Minimum energy = -107.346326115022 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.346326115023 +Energy at sites (0, 1) is -107.346326115022 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.346326115023 +Energy at sites (1, 2) is -107.346326115022 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.346326115023 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (3, 4) is -107.346326115023 - Stats: nIt(DAVIDSON) = 7 -Energy at sites (4, 5) is -107.346326115023 +Energy at sites (2, 3) is -107.346326115022 + Stats: nIt(DAVIDSON) = 8 +Energy at sites (3, 4) is -107.346326115022 + Stats: nIt(DAVIDSON) = 6 +Energy at sites (4, 5) is -107.346326115022 Stats: nIt(DAVIDSON) = 16 Energy at sites (5, 6) is -107.346326115024 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 8 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115024 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 3.483767 seconds -*** |--> S.join = 0.133603 seconds -*** |--> S.solve = 2.308403 seconds -*** |--> S.split = 0.371891 seconds -*** |--> Tensor update = 0.66938 seconds -*** |--> create = 0.020489 seconds -*** |--> destroy = 0.001586 seconds -*** |--> disk write = 0.012129 seconds -*** |--> disk read = 0.050467 seconds -*** |--> calc = 0.584639 seconds -*** Disk write bandwidth = 67.2077383701382 MB/s -*** Disk read bandwidth = 16.2241984087374 MB/s +*** Elapsed wall time = 5.003893 seconds +*** |--> S.join = 0.190881 seconds +*** |--> S.solve = 3.313301 seconds +*** |--> S.split = 0.554854 seconds +*** |--> Tensor update = 0.944145 seconds +*** |--> create = 0.047398 seconds +*** |--> destroy = 0.002372 seconds +*** |--> disk write = 0.016503 seconds +*** |--> disk read = 0.036851 seconds +*** |--> calc = 0.840922 seconds +*** Disk write bandwidth = 49.3948166206996 MB/s +*** Disk read bandwidth = 22.2188440230591 MB/s *** Minimum energy = -107.346326115024 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 1.41994860314298e-10 +*** Energy difference with respect to previous leftright sweep = 1.51885615196079e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.346326115024 +Energy at sites (8, 9) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.346326115025 +Energy at sites (7, 8) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.346326115024 - Stats: nIt(DAVIDSON) = 9 + Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.346326115025 Stats: nIt(DAVIDSON) = 7 -Energy at sites (3, 4) is -107.346326115024 +Energy at sites (3, 4) is -107.346326115025 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115025 ****************************************************************** *** Information on left sweep 1 of instruction 1: -*** Elapsed wall time = 2.972542 seconds -*** |--> S.join = 0.154259 seconds -*** |--> S.solve = 1.786478 seconds -*** |--> S.split = 0.412211 seconds -*** |--> Tensor update = 0.619151 seconds -*** |--> create = 0.020294 seconds -*** |--> destroy = 0.001797 seconds -*** |--> disk write = 0.011941 seconds -*** |--> disk read = 0.032798 seconds -*** |--> calc = 0.55222 seconds -*** Disk write bandwidth = 68.5693510672264 MB/s -*** Disk read bandwidth = 24.854035572029 MB/s +*** Elapsed wall time = 4.003812 seconds +*** |--> S.join = 0.18767 seconds +*** |--> S.solve = 2.396556 seconds +*** |--> S.split = 0.543875 seconds +*** |--> Tensor update = 0.875125 seconds +*** |--> create = 0.045589 seconds +*** |--> destroy = 0.002293 seconds +*** |--> disk write = 0.027175 seconds +*** |--> disk read = 0.061964 seconds +*** |--> calc = 0.738019 seconds +*** Disk write bandwidth = 30.130142450552 MB/s +*** Disk read bandwidth = 13.1554234505746 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 ****************************************************************** @@ -3027,30 +2999,30 @@ Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.346326115025 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.346326115025 - Stats: nIt(DAVIDSON) = 9 +Energy at sites (4, 5) is -107.346326115024 + Stats: nIt(DAVIDSON) = 10 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 = 2.355877 seconds -*** |--> S.join = 0.117231 seconds -*** |--> S.solve = 1.286244 seconds -*** |--> S.split = 0.358082 seconds -*** |--> Tensor update = 0.593831 seconds -*** |--> create = 0.041163 seconds -*** |--> destroy = 0.001784 seconds -*** |--> disk write = 0.013008 seconds -*** |--> disk read = 0.036191 seconds -*** |--> calc = 0.501612 seconds -*** Disk write bandwidth = 62.6662560494623 MB/s -*** Disk read bandwidth = 22.6240397085947 MB/s +*** Elapsed wall time = 3.299829 seconds +*** |--> S.join = 0.178646 seconds +*** |--> S.solve = 1.792514 seconds +*** |--> S.split = 0.499863 seconds +*** |--> Tensor update = 0.828129 seconds +*** |--> create = 0.041928 seconds +*** |--> destroy = 0.002312 seconds +*** |--> disk write = 0.014576 seconds +*** |--> disk read = 0.06539 seconds +*** |--> calc = 0.70383 seconds +*** Disk write bandwidth = 55.9249903053929 MB/s +*** Disk read bandwidth = 12.5215877212685 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.27373675443232e-13 +*** Energy difference with respect to previous leftright sweep = 1.4210854715202e-13 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3065,51 +3037,51 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115024 - NOON of irrep Ag = [ 1.99999018535378 , 1.99292175282792 , 1.03221285667851 ]. - NOON of irrep B2g = [ 1.02415310260622 ]. - NOON of irrep B3g = [ 0.0896934287772132 ]. - NOON of irrep B1u = [ 1.99999295584655 , 1.95039154291973 , 0.015949509528603 ]. - NOON of irrep B2u = [ 1.91962159296971 ]. - NOON of irrep B3u = [ 1.97507307249176 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322990690579 , 0.0447141463863322 , 0.838966994619416 , 0.790658960145337 , 0.317368561195367 , 9.2498950049456e-05 , 0.227634117034845 , 0.0907424584982842 , 0.299652804892461 , 0.133979296964053 ]. - Idistance(0) = 1.572154079128 - Idistance(1) = 5.15805448302577 - Idistance(2) = 21.9866409841671 + NOON of irrep Ag = [ 1.99999018535371 , 1.99292175277135 , 1.03221285680006 ]. + NOON of irrep B2g = [ 1.02415310259033 ]. + NOON of irrep B3g = [ 0.0896934287758248 ]. + NOON of irrep B1u = [ 1.99999295584654 , 1.95039154288937 , 0.0159495095178863 ]. + NOON of irrep B2u = [ 1.91962159296919 ]. + NOON of irrep B3u = [ 1.97507307248572 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322991758803 , 0.0447141467189502 , 0.838966994283959 , 0.790658960232282 , 0.317368561157017 , 9.24989500773171e-05 , 0.22763411714327 , 0.0907424584243961 , 0.299652804859735 , 0.133979296990354 ]. + Idistance(0) = 1.57215407902385 + Idistance(1) = 5.15805448319312 + Idistance(2) = 21.9866409884795 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 2.681737 seconds -*** |--> MPS gauge change = 0.923524 seconds -*** |--> Diagram calc = 0.161109 seconds -*** |--> Tensor update = 1.596228 seconds -*** |--> create = 0.055302 seconds -*** |--> destroy = 0.00393600000000001 seconds -*** |--> disk write = 0.028538 seconds -*** |--> disk read = 0.143564 seconds -*** |--> calc = 1.364677 seconds -*** Disk write bandwidth = 58.1983945508237 MB/s -*** Disk read bandwidth = 11.568817974502 MB/s +*** Elapsed wall time = 2.871337 seconds +*** |--> MPS gauge change = 0.965241 seconds +*** |--> Diagram calc = 0.195226 seconds +*** |--> Tensor update = 1.709832 seconds +*** |--> create = 0.0810340000000002 seconds +*** |--> destroy = 0.00584100000000001 seconds +*** |--> disk write = 0.034396 seconds +*** |--> disk read = 0.145469 seconds +*** |--> calc = 1.442756 seconds +*** Disk write bandwidth = 48.2865968046112 MB/s +*** Disk read bandwidth = 11.4173176669353 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 = 37.99997 seconds -FCI::matvec : Wall time = 42.851901 seconds -FCI::matvec : Wall time = 36.799826 seconds -FCI::matvec : Wall time = 32.331836 seconds -FCI::matvec : Wall time = 34.003855 seconds -FCI::matvec : Wall time = 26.739801 seconds -FCI::matvec : Wall time = 33.967765 seconds -FCI::matvec : Wall time = 41.647828 seconds -FCI::matvec : Wall time = 38.72769 seconds -FCI::matvec : Wall time = 40.107782 seconds -FCI::matvec : Wall time = 36.151615 seconds -FCI::matvec : Wall time = 33.235686 seconds -FCI::matvec : Wall time = 31.275714 seconds -FCI::matvec : Wall time = 25.515695 seconds -FCI::matvec : Wall time = 15.493868 seconds -FCI::matvec : Wall time = 0.042459 seconds -FCI::matvec : Wall time = 11.170572 seconds -FCI::matvec : Wall time = 26.283531 seconds +FCI::matvec : Wall time = 26.435923 seconds +FCI::matvec : Wall time = 27.459859 seconds +FCI::matvec : Wall time = 11.503397 seconds +FCI::matvec : Wall time = 0.01958 seconds +FCI::matvec : Wall time = 0.017694 seconds +FCI::matvec : Wall time = 0.021777 seconds +FCI::matvec : Wall time = 0.017755 seconds +FCI::matvec : Wall time = 0.0220800000000001 seconds +FCI::matvec : Wall time = 0.018268 seconds +FCI::matvec : Wall time = 0.024348 seconds +FCI::matvec : Wall time = 0.016605 seconds +FCI::matvec : Wall time = 0.025841 seconds +FCI::matvec : Wall time = 0.018242 seconds +FCI::matvec : Wall time = 0.019486 seconds +FCI::matvec : Wall time = 0.023446 seconds +FCI::matvec : Wall time = 0.016528 seconds +FCI::matvec : Wall time = 0.27791 seconds +FCI::matvec : Wall time = 0.018011 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 @@ -3132,176 +3104,176 @@ 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 15 -Energy at sites (8, 9) is -96.5910417800804 - Stats: nIt(DAVIDSON) = 30 -Energy at sites (7, 8) is -106.280814950972 +Energy at sites (8, 9) is -103.927184057863 + Stats: nIt(DAVIDSON) = 20 +Energy at sites (7, 8) is -106.708033411255 + Stats: nIt(DAVIDSON) = 38 +Energy at sites (6, 7) is -106.950590357103 + Stats: nIt(DAVIDSON) = 60 +Energy at sites (5, 6) is -107.180302898465 Stats: nIt(DAVIDSON) = 42 -Energy at sites (6, 7) is -106.950704467306 - Stats: nIt(DAVIDSON) = 58 -Energy at sites (5, 6) is -107.184241624968 - Stats: nIt(DAVIDSON) = 44 -Energy at sites (4, 5) is -107.189124197469 - Stats: nIt(DAVIDSON) = 30 -Energy at sites (3, 4) is -107.199456398912 +Energy at sites (4, 5) is -107.189142252731 + Stats: nIt(DAVIDSON) = 43 +Energy at sites (3, 4) is -107.199478833991 Stats: nIt(DAVIDSON) = 12 -Energy at sites (2, 3) is -107.199478383376 +Energy at sites (2, 3) is -107.199492979111 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199478383376 +Energy at sites (1, 2) is -107.199492979111 ****************************************************************** *** Information on left sweep 0 of instruction 0: -*** Elapsed wall time = 6.72435 seconds -*** |--> S.join = 0.093038 seconds -*** |--> S.solve = 5.952412 seconds -*** |--> S.split = 0.251769 seconds -*** |--> Tensor update = 0.426711 seconds -*** |--> create = 0.020131 seconds -*** |--> destroy = 0.00205 seconds -*** |--> disk write = 0.013085 seconds -*** |--> disk read = 0.022737 seconds -*** |--> calc = 0.368646 seconds -*** Disk write bandwidth = 64.2857389409988 MB/s -*** Disk read bandwidth = 36.8366509055999 MB/s -*** Minimum energy = -107.199478383376 +*** Elapsed wall time = 1.759722 seconds +*** |--> S.join = 0.018832 seconds +*** |--> S.solve = 1.51306 seconds +*** |--> S.split = 0.075501 seconds +*** |--> Tensor update = 0.152097 seconds +*** |--> create = 0.019513 seconds +*** |--> destroy = 0.002045 seconds +*** |--> disk write = 0.011367 seconds +*** |--> disk read = 0.011614 seconds +*** |--> calc = 0.107523 seconds +*** Disk write bandwidth = 74.0018381316943 MB/s +*** Disk read bandwidth = 72.1159748269868 MB/s +*** Minimum energy = -107.199492979111 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199478383377 +Energy at sites (0, 1) is -107.199492979111 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199478383376 +Energy at sites (1, 2) is -107.199492979111 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199478383376 +Energy at sites (2, 3) is -107.199492979111 Stats: nIt(DAVIDSON) = 5 -Energy at sites (3, 4) is -107.199478387932 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (4, 5) is -107.199487358252 - Stats: nIt(DAVIDSON) = 20 -Energy at sites (5, 6) is -107.199616416977 +Energy at sites (3, 4) is -107.199492988099 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (4, 5) is -107.199503796641 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (5, 6) is -107.199616598938 Stats: nIt(DAVIDSON) = 6 -Energy at sites (6, 7) is -107.199617211803 +Energy at sites (6, 7) is -107.199617174301 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617211803 +Energy at sites (7, 8) is -107.199617174301 ****************************************************************** *** Information on right sweep 0 of instruction 0: -*** Elapsed wall time = 2.035803 seconds -*** |--> S.join = 0.093278 seconds -*** |--> S.solve = 1.33633 seconds -*** |--> S.split = 0.223915 seconds -*** |--> Tensor update = 0.381926 seconds -*** |--> create = 0.020151 seconds -*** |--> destroy = 0.001894 seconds -*** |--> disk write = 0.012926 seconds -*** |--> disk read = 0.01773 seconds -*** |--> calc = 0.329179 seconds -*** Disk write bandwidth = 64.7961420114981 MB/s -*** Disk read bandwidth = 47.4438180509289 MB/s -*** Minimum energy = -107.199617211803 +*** Elapsed wall time = 1.344028 seconds +*** |--> S.join = 0.050216 seconds +*** |--> S.solve = 0.847943 seconds +*** |--> S.split = 0.151918 seconds +*** |--> Tensor update = 0.293647 seconds +*** |--> create = 0.019904 seconds +*** |--> destroy = 0.002189 seconds +*** |--> disk write = 0.011588 seconds +*** |--> disk read = 0.018131 seconds +*** |--> calc = 0.241791 seconds +*** Disk write bandwidth = 72.2777814670888 MB/s +*** Disk read bandwidth = 46.3945118329363 MB/s +*** Minimum energy = -107.199617174301 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 107.199617211803 +*** Energy difference with respect to previous leftright sweep = 107.199617174301 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (8, 9) is -107.199617211803 +Energy at sites (8, 9) is -107.199617174301 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617211803 +Energy at sites (7, 8) is -107.199617174301 Stats: nIt(DAVIDSON) = 1 -Energy at sites (6, 7) is -107.199617211803 - Stats: nIt(DAVIDSON) = 8 -Energy at sites (5, 6) is -107.19961721244 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (4, 5) is -107.199617376513 - Stats: nIt(DAVIDSON) = 6 -Energy at sites (3, 4) is -107.199617420097 +Energy at sites (6, 7) is -107.199617174301 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (5, 6) is -107.199617174708 + Stats: nIt(DAVIDSON) = 7 +Energy at sites (4, 5) is -107.199617385747 + Stats: nIt(DAVIDSON) = 4 +Energy at sites (3, 4) is -107.199617419831 Stats: nIt(DAVIDSON) = 3 -Energy at sites (2, 3) is -107.199617421336 +Energy at sites (2, 3) is -107.199617420916 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421336 +Energy at sites (1, 2) is -107.199617420916 ****************************************************************** *** Information on left sweep 1 of instruction 0: -*** Elapsed wall time = 1.643573 seconds -*** |--> S.join = 0.080844 seconds -*** |--> S.solve = 0.920152 seconds -*** |--> S.split = 0.240011 seconds -*** |--> Tensor update = 0.402314 seconds -*** |--> create = 0.01922 seconds -*** |--> destroy = 0.001812 seconds -*** |--> disk write = 0.011216 seconds -*** |--> disk read = 0.00896 seconds -*** |--> calc = 0.361076 seconds -*** Disk write bandwidth = 74.9981182277968 MB/s -*** Disk read bandwidth = 93.4771129063198 MB/s -*** Minimum energy = -107.199617421336 +*** Elapsed wall time = 1.14765 seconds +*** |--> S.join = 0.057363 seconds +*** |--> S.solve = 0.58182 seconds +*** |--> S.split = 0.199979 seconds +*** |--> Tensor update = 0.308213 seconds +*** |--> create = 0.019219 seconds +*** |--> destroy = 0.002168 seconds +*** |--> disk write = 0.011341 seconds +*** |--> disk read = 0.01002 seconds +*** |--> calc = 0.265425 seconds +*** Disk write bandwidth = 74.1714922884198 MB/s +*** Disk read bandwidth = 83.5883165310005 MB/s +*** Minimum energy = -107.199617420916 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 -Energy at sites (0, 1) is -107.199617421336 +Energy at sites (0, 1) is -107.199617420916 Stats: nIt(DAVIDSON) = 1 -Energy at sites (1, 2) is -107.199617421336 +Energy at sites (1, 2) is -107.199617420916 Stats: nIt(DAVIDSON) = 1 -Energy at sites (2, 3) is -107.199617421336 +Energy at sites (2, 3) is -107.199617420916 Stats: nIt(DAVIDSON) = 1 -Energy at sites (3, 4) is -107.199617421336 +Energy at sites (3, 4) is -107.199617420916 Stats: nIt(DAVIDSON) = 2 -Energy at sites (4, 5) is -107.199617421384 - Stats: nIt(DAVIDSON) = 2 -Energy at sites (5, 6) is -107.199617421842 +Energy at sites (4, 5) is -107.199617420948 + Stats: nIt(DAVIDSON) = 3 +Energy at sites (5, 6) is -107.199617421851 Stats: nIt(DAVIDSON) = 2 -Energy at sites (6, 7) is -107.199617421887 +Energy at sites (6, 7) is -107.199617421889 Stats: nIt(DAVIDSON) = 1 -Energy at sites (7, 8) is -107.199617421887 +Energy at sites (7, 8) is -107.199617421889 ****************************************************************** *** Information on right sweep 1 of instruction 0: -*** Elapsed wall time = 1.408328 seconds -*** |--> S.join = 0.089655 seconds -*** |--> S.solve = 0.66027 seconds -*** |--> S.split = 0.257367 seconds -*** |--> Tensor update = 0.400627 seconds -*** |--> create = 0.019519 seconds -*** |--> destroy = 0.001799 seconds -*** |--> disk write = 0.012302 seconds -*** |--> disk read = 0.01139 seconds -*** |--> calc = 0.355554 seconds -*** Disk write bandwidth = 68.0828265030585 MB/s -*** Disk read bandwidth = 73.8524050959586 MB/s -*** Minimum energy = -107.199617421887 +*** Elapsed wall time = 1.432377 seconds +*** |--> S.join = 0.087967 seconds +*** |--> S.solve = 0.664152 seconds +*** |--> S.split = 0.255848 seconds +*** |--> Tensor update = 0.42414 seconds +*** |--> create = 0.019715 seconds +*** |--> destroy = 0.002116 seconds +*** |--> disk write = 0.011593 seconds +*** |--> disk read = 0.029388 seconds +*** |--> calc = 0.361291 seconds +*** Disk write bandwidth = 72.2466084396295 MB/s +*** Disk read bandwidth = 28.6232099511014 MB/s +*** Minimum energy = -107.199617421889 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 2.10083413776374e-07 +*** Energy difference with respect to previous leftright sweep = 2.47588047841418e-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 = -107.199617421887 -*** Minimum energy encountered during the last sweep = -107.199617421887 +*** Minimum energy encountered during all instructions = -107.199617421889 +*** Minimum energy encountered during the last sweep = -107.199617421889 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 Energy at sites (8, 9) is -107.199617421891 Stats: nIt(DAVIDSON) = 10 Energy at sites (7, 8) is -107.199617421893 - Stats: nIt(DAVIDSON) = 17 -Energy at sites (6, 7) is -107.1996174219 - Stats: nIt(DAVIDSON) = 24 -Energy at sites (5, 6) is -107.199617421916 - Stats: nIt(DAVIDSON) = 12 -Energy at sites (4, 5) is -107.199617421918 + Stats: nIt(DAVIDSON) = 16 +Energy at sites (6, 7) is -107.199617421897 + Stats: nIt(DAVIDSON) = 23 +Energy at sites (5, 6) is -107.199617421909 Stats: nIt(DAVIDSON) = 13 -Energy at sites (3, 4) is -107.199617421919 - Stats: nIt(DAVIDSON) = 8 +Energy at sites (4, 5) is -107.199617421914 + Stats: nIt(DAVIDSON) = 13 +Energy at sites (3, 4) is -107.199617421918 + Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421919 ****************************************************************** *** Information on left sweep 0 of instruction 1: -*** Elapsed wall time = 3.379819 seconds -*** |--> S.join = 0.100584 seconds -*** |--> S.solve = 2.619247 seconds -*** |--> S.split = 0.255825 seconds -*** |--> Tensor update = 0.403766 seconds -*** |--> create = 0.018906 seconds -*** |--> destroy = 0.001949 seconds -*** |--> disk write = 0.011876 seconds -*** |--> disk read = 0.014219 seconds -*** |--> calc = 0.356764 seconds -*** Disk write bandwidth = 70.8301527486501 MB/s -*** Disk read bandwidth = 58.9039265518409 MB/s +*** Elapsed wall time = 2.516052 seconds +*** |--> S.join = 0.0612 seconds +*** |--> S.solve = 1.989947 seconds +*** |--> S.split = 0.17652 seconds +*** |--> Tensor update = 0.288126 seconds +*** |--> create = 0.019485 seconds +*** |--> destroy = 0.002072 seconds +*** |--> disk write = 0.011225 seconds +*** |--> disk read = 0.01365 seconds +*** |--> calc = 0.241654 seconds +*** Disk write bandwidth = 74.9379861062778 MB/s +*** Disk read bandwidth = 61.3593356513278 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 ****************************************************************** @@ -3313,9 +3285,9 @@ Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617421919 - Stats: nIt(DAVIDSON) = 7 + Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.199617421919 - Stats: nIt(DAVIDSON) = 18 + Stats: nIt(DAVIDSON) = 19 Energy at sites (5, 6) is -107.199617421919 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.199617421919 @@ -3323,21 +3295,21 @@ Energy at sites (7, 8) is -107.199617421919 ****************************************************************** *** Information on right sweep 0 of instruction 1: -*** Elapsed wall time = 2.212128 seconds -*** |--> S.join = 0.089587 seconds -*** |--> S.solve = 1.45634 seconds -*** |--> S.split = 0.25624 seconds -*** |--> Tensor update = 0.409551 seconds -*** |--> create = 0.021093 seconds -*** |--> destroy = 0.001924 seconds -*** |--> disk write = 0.012404 seconds -*** |--> disk read = 0.013854 seconds -*** |--> calc = 0.360232 seconds -*** Disk write bandwidth = 67.5229709481317 MB/s -*** Disk read bandwidth = 60.7174024861389 MB/s +*** Elapsed wall time = 1.552646 seconds +*** |--> S.join = 0.075534 seconds +*** |--> S.solve = 1.007652 seconds +*** |--> S.split = 0.175919 seconds +*** |--> Tensor update = 0.29328 seconds +*** |--> create = 0.019549 seconds +*** |--> destroy = 0.002087 seconds +*** |--> disk write = 0.011613 seconds +*** |--> disk read = 0.021589 seconds +*** |--> calc = 0.238401 seconds +*** Disk write bandwidth = 72.1221847619586 MB/s +*** Disk read bandwidth = 38.9633097430622 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 -*** Energy difference with respect to previous leftright sweep = 3.20312665280653e-11 +*** Energy difference with respect to previous leftright sweep = 2.97859514830634e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 @@ -3352,54 +3324,54 @@ N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919 - NOON of irrep Ag = [ 1.99998814651127 , 1.98924041568463 , 1.8768785801386 ]. - NOON of irrep B2g = [ 0.13938781131545 ]. - NOON of irrep B3g = [ 1.03112739678549 ]. - NOON of irrep B1u = [ 1.99999431244151 , 1.10839164045134 , 0.0211636956915539 ]. - NOON of irrep B2u = [ 1.96715797371363 ]. - NOON of irrep B3u = [ 1.86667002726652 ]. - Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980000421453 , 0.0818410214844537 , 0.449623197591133 , 0.486645055644945 , 0.811029481748778 , 6.68868115990264e-05 , 0.96204661331509 , 0.112095070409959 , 0.16717614978678 , 0.475082461114368 ]. - Idistance(0) = 2.384459392538 - Idistance(1) = 9.57998273912115 - Idistance(2) = 47.8783646756048 + NOON of irrep Ag = [ 1.99998814651095 , 1.98924041560688 , 1.87687858039758 ]. + NOON of irrep B2g = [ 0.13938781111018 ]. + NOON of irrep B3g = [ 1.03112739679044 ]. + NOON of irrep B1u = [ 1.99999431244146 , 1.10839164018423 , 0.0211636956622574 ]. + NOON of irrep B2u = [ 1.9671579739535 ]. + NOON of irrep B3u = [ 1.86667002734254 ]. + Single-orbital entropies (Hamiltonian index order is used!) = [ 0.00014998000409315 , 0.0818410217641219 , 0.449623196922752 , 0.48664505519452 , 0.811029480468018 , 6.6886811954531e-05 , 0.9620466129696 , 0.112095070301716 , 0.167176148810157 , 0.47508246090452 ]. + Idistance(0) = 2.3844593889535 + Idistance(1) = 9.57998272632256 + Idistance(2) = 47.878364625366 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** -*** Elapsed wall time = 1.694271 seconds -*** |--> MPS gauge change = 0.573302 seconds -*** |--> Diagram calc = 0.125707 seconds -*** |--> Tensor update = 0.99435 seconds -*** |--> create = 0.0466270000000001 seconds -*** |--> destroy = 0.004588 seconds -*** |--> disk write = 0.028072 seconds -*** |--> disk read = 0.023476 seconds -*** |--> calc = 0.891361 seconds -*** Disk write bandwidth = 60.7598436018041 MB/s -*** Disk read bandwidth = 72.6550660074052 MB/s +*** Elapsed wall time = 0.909222 seconds +*** |--> MPS gauge change = 0.2854 seconds +*** |--> Diagram calc = 0.052318 seconds +*** |--> Tensor update = 0.570681 seconds +*** |--> create = 0.049879 seconds +*** |--> destroy = 0.004668 seconds +*** |--> disk write = 0.026608 seconds +*** |--> disk read = 0.028317 seconds +*** |--> calc = 0.461035 seconds +*** Disk write bandwidth = 64.1029137699129 MB/s +*** Disk read bandwidth = 60.2341466112174 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 = 26.31201 seconds -FCI::matvec : Wall time = 25.767847 seconds -FCI::matvec : Wall time = 24.675887 seconds -FCI::matvec : Wall time = 24.967817 seconds -FCI::matvec : Wall time = 8.529743 seconds -FCI::matvec : Wall time = 7.373941 seconds -FCI::matvec : Wall time = 11.776633 seconds -FCI::matvec : Wall time = 0.053208 seconds -FCI::matvec : Wall time = 5.213542 seconds -FCI::matvec : Wall time = 3.537685 seconds -FCI::matvec : Wall time = 1.167937 seconds -FCI::matvec : Wall time = 0.100557 seconds -FCI::matvec : Wall time = 0.073007 seconds -FCI::matvec : Wall time = 0.048645 seconds -FCI::matvec : Wall time = 3.842495 seconds -FCI::matvec : Wall time = 6.978765 seconds -FCI::matvec : Wall time = 0.529752 seconds -FCI::matvec : Wall time = 7.78151 seconds -FCI::matvec : Wall time = 13.669931 seconds -FCI::matvec : Wall time = 0.073375 seconds -FCI::matvec : Wall time = 0.067811 seconds +FCI::matvec : Wall time = 21.560195 seconds +FCI::matvec : Wall time = 22.887668 seconds +FCI::matvec : Wall time = 21.955847 seconds +FCI::matvec : Wall time = 26.527852 seconds +FCI::matvec : Wall time = 23.89981 seconds +FCI::matvec : Wall time = 2.355554 seconds +FCI::matvec : Wall time = 0.033103 seconds +FCI::matvec : Wall time = 0.025266 seconds +FCI::matvec : Wall time = 0.029134 seconds +FCI::matvec : Wall time = 0.034166 seconds +FCI::matvec : Wall time = 0.034174 seconds +FCI::matvec : Wall time = 1.009815 seconds +FCI::matvec : Wall time = 0.044419 seconds +FCI::matvec : Wall time = 0.070911 seconds +FCI::matvec : Wall time = 21.081672 seconds +FCI::matvec : Wall time = 24.807542 seconds +FCI::matvec : Wall time = 24.799562 seconds +FCI::matvec : Wall time = 27.92358 seconds +FCI::matvec : Wall time = 24.611556 seconds +FCI::matvec : Wall time = 27.676683 seconds +FCI::matvec : Wall time = 32.942339 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 @@ -3419,7 +3391,7 @@ debian/rules override_dh_auto_install make[1]: Entering directory '/build/chemps2-1.8.10' dh_auto_install - cd obj-x86_64-linux-gnu && make -j16 install DESTDIR=/build/chemps2-1.8.10/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" + cd obj-x86_64-linux-gnu && make -j15 install DESTDIR=/build/chemps2-1.8.10/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[2]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' @@ -3430,12 +3402,12 @@ make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 66%] Built target chemps2-shared +[ 67%] Built target chemps2-static make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -[ 67%] Built target chemps2-static make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' @@ -3447,6 +3419,7 @@ make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' +[ 69%] Built target test7 make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' @@ -3456,26 +3429,25 @@ make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -[ 69%] Built target test7 make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' -[ 71%] Built target test4 -[ 73%] Built target test5 -[ 76%] Built target test10 -[ 78%] Built target test13 -[ 81%] Built target test8 -[ 82%] Built target test1 -[ 84%] Built target test12 -[ 89%] Built target test2 -[ 89%] Built target test9 -[ 93%] Built target test11 -[ 95%] Built target chemps2-bin +[ 71%] Built target test1 +[ 73%] Built target test3 +[ 76%] Built target test12 +[ 78%] Built target test4 +[ 80%] Built target test2 +[ 82%] Built target test5 +[ 84%] Built target test9 +[ 86%] Built target test10 +[ 89%] Built target test14 +[ 92%] Built target test11 +[ 93%] Built target chemps2-bin [ 95%] Built target test6 -[ 97%] Built target test3 -[100%] Built target test14 +[ 97%] Built target test8 +[100%] Built target test13 make[3]: Leaving directory '/build/chemps2-1.8.10/obj-x86_64-linux-gnu' Install the project... -- Install configuration: "release" @@ -3578,7 +3550,7 @@ dpkg-gensymbols: warning: some new symbols appeared in the symbols file: see diff output below dpkg-gensymbols: warning: debian/libchemps2-3/DEBIAN/symbols doesn't match completely debian/libchemps2-3.symbols --- debian/libchemps2-3.symbols (libchemps2-3_1.8.10-2_amd64) -+++ dpkg-gensymbolsQbIihN 2024-02-07 14:07:05.613018477 -1200 ++++ dpkg-gensymbols16bz_6 2023-01-06 10:27:22.518107601 +1400 @@ -160,6 +160,7 @@ _ZN7CheMPS216DMRGSCFrotations6rotateEPKNS_9FourIndexEPS1_PNS_16DMRGSCFintegralsEccccPNS_14DMRGSCFindicesEPNS_14DMRGSCFunitaryEPdSB_iNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 _ZN7CheMPS216DMRGSCFrotations9dimensionEPNS_14DMRGSCFindicesEic@Base 1.8.7 @@ -3592,27 +3564,27 @@ 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: package chemps2: substitution variable ${python3:Depends} unused, but is defined -dpkg-gencontrol: warning: package libchemps2-3: substitution variable ${python3:Depends} unused, but is defined -dpkg-gencontrol: warning: package libchemps2-dev: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: Depends field of package chemps2-doc: substitution variable ${sphinxdoc:Depends} used, but is not defined -dpkg-gencontrol: warning: package chemps2-doc: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-chemps2: substitution variable ${python3:Provides} unused, but is defined dpkg-gencontrol: warning: package python3-chemps2: substitution variable ${python3:Versions} unused, but is defined +dpkg-gencontrol: warning: package libchemps2-3: substitution variable ${python3:Depends} unused, but is defined +dpkg-gencontrol: warning: package chemps2: substitution variable ${python3:Depends} unused, but is defined +dpkg-gencontrol: warning: package chemps2-doc: substitution variable ${python3:Depends} unused, but is defined +dpkg-gencontrol: warning: package libchemps2-dev: substitution variable ${python3:Depends} unused, but is defined +dpkg-gencontrol: warning: package libchemps2-3: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-chemps2: substitution variable ${python3:Provides} unused, but is defined dpkg-gencontrol: warning: package python3-chemps2: substitution variable ${python3:Versions} unused, but is defined dpkg-gencontrol: warning: package chemps2: substitution variable ${python3:Depends} unused, but is defined -dpkg-gencontrol: warning: package libchemps2-3: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb -dpkg-deb: building package 'libchemps2-3-dbgsym' in '../libchemps2-3-dbgsym_1.8.10-2_amd64.deb'. dpkg-deb: building package 'libchemps2-3' in '../libchemps2-3_1.8.10-2_amd64.deb'. +dpkg-deb: building package 'libchemps2-3-dbgsym' in '../libchemps2-3-dbgsym_1.8.10-2_amd64.deb'. dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.10-2_amd64.deb'. dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.10-2_all.deb'. -dpkg-deb: building package 'chemps2' in '../chemps2_1.8.10-2_amd64.deb'. dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.10-2_amd64.deb'. -dpkg-deb: building package 'python3-chemps2-dbgsym' in '../python3-chemps2-dbgsym_1.8.10-2_amd64.deb'. +dpkg-deb: building package 'chemps2' in '../chemps2_1.8.10-2_amd64.deb'. dpkg-deb: building package 'python3-chemps2' in '../python3-chemps2_1.8.10-2_amd64.deb'. +dpkg-deb: building package 'python3-chemps2-dbgsym' in '../python3-chemps2-dbgsym_1.8.10-2_amd64.deb'. dpkg-genbuildinfo --build=binary dpkg-genchanges --build=binary >../chemps2_1.8.10-2_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -3620,12 +3592,14 @@ 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/328376/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/328376/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/1778616 and its subdirectories -I: Current time: Wed Feb 7 14:07:11 -12 2024 -I: pbuilder-time-stamp: 1707358031 +I: removing directory /srv/workspace/pbuilder/328376 and its subdirectories +I: Current time: Fri Jan 6 10:27:33 +14 2023 +I: pbuilder-time-stamp: 1672950453