https://launchpad.net/ubuntu/+source/chemps2/1.8.12-1build1/+build/25422470 RUN: /usr/share/launchpad-buildd/bin/builder-prep Kernel version: Linux lcy02-amd64-033 5.4.0-135-generic #152-Ubuntu SMP Wed Nov 23 20:19:22 UTC 2022 x86_64 Buildd toolchain package versions: launchpad-buildd_225~602~ubuntu20.04.1 python3-lpbuildd_225~602~ubuntu20.04.1 sbuild_0.79.0-1ubuntu1 git-build-recipe_0.3.6 git_1:2.25.1-1ubuntu3.6 dpkg-dev_1.19.7ubuntu3.2 python3-debian_0.1.36ubuntu1. Syncing the system clock with the buildd NTP service... 25 Dec 19:39:44 ntpdate[1834]: adjust time server 10.131.248.1 offset 0.000194 sec RUN: /usr/share/launchpad-buildd/bin/in-target unpack-chroot --backend=chroot --series=lunar --arch=amd64 PACKAGEBUILD-25422470 --image-type chroot /home/buildd/filecache-default/bc95a5beca317e426bf1850638bb0efa95f27a71 Creating target for build PACKAGEBUILD-25422470 RUN: /usr/share/launchpad-buildd/bin/in-target mount-chroot --backend=chroot --series=lunar --arch=amd64 PACKAGEBUILD-25422470 Starting target for build PACKAGEBUILD-25422470 RUN: /usr/share/launchpad-buildd/bin/in-target override-sources-list --backend=chroot --series=lunar --arch=amd64 PACKAGEBUILD-25422470 'deb http://ftpmaster.internal/ubuntu lunar main universe' 'deb http://ftpmaster.internal/ubuntu lunar-security main universe' 'deb http://ftpmaster.internal/ubuntu lunar-updates main universe' 'deb http://ftpmaster.internal/ubuntu lunar-proposed main universe' Overriding sources.list in build-PACKAGEBUILD-25422470 RUN: /usr/share/launchpad-buildd/bin/in-target update-debian-chroot --backend=chroot --series=lunar --arch=amd64 PACKAGEBUILD-25422470 Updating target for build PACKAGEBUILD-25422470 Get:1 http://ftpmaster.internal/ubuntu lunar InRelease [267 kB] Get:2 http://ftpmaster.internal/ubuntu lunar-security InRelease [90.7 kB] Get:3 http://ftpmaster.internal/ubuntu lunar-updates InRelease [90.7 kB] Get:4 http://ftpmaster.internal/ubuntu lunar-proposed InRelease [118 kB] Get:5 http://ftpmaster.internal/ubuntu lunar/main amd64 Packages [1393 kB] Get:6 http://ftpmaster.internal/ubuntu lunar/main Translation-en [511 kB] Get:7 http://ftpmaster.internal/ubuntu lunar/universe amd64 Packages [14.8 MB] Get:8 http://ftpmaster.internal/ubuntu lunar/universe Translation-en [5868 kB] Get:9 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 Packages [201 kB] Get:10 http://ftpmaster.internal/ubuntu lunar-proposed/main Translation-en [84.1 kB] Get:11 http://ftpmaster.internal/ubuntu lunar-proposed/universe amd64 Packages [1764 kB] Get:12 http://ftpmaster.internal/ubuntu lunar-proposed/universe Translation-en [626 kB] Fetched 25.8 MB in 2s (11.7 MB/s) Reading package lists... Reading package lists... Building dependency tree... Reading state information... Calculating upgrade... The following packages were automatically installed and are no longer required: libperl5.34 perl-modules-5.34 Use 'sudo apt autoremove' to remove them. The following packages will be REMOVED: lsb-base* The following NEW packages will be installed: libjansson4 libperl5.36 perl-modules-5.36 The following packages will be upgraded: adduser binutils binutils-common binutils-x86-64-linux-gnu ca-certificates coreutils cpp-12 dash debconf diffutils dpkg dpkg-dev g++-12 gcc-12 gcc-12-base gpg gpg-agent gpgconf gpgv libapparmor1 libasan8 libatomic1 libaudit-common libaudit1 libbinutils libcap2 libcc1-0 libctf-nobfd0 libctf0 libdpkg-perl libgcc-12-dev libgcc-s1 libgomp1 libgprofng0 libgssapi-krb5-2 libitm1 libk5crypto3 libkeyutils1 libkmod2 libkrb5-3 libkrb5support0 liblsan0 liblz4-1 liblzma5 libpcre3 libquadmath0 libsqlite3-0 libssl3 libstdc++-12-dev libstdc++6 libsystemd-shared libsystemd0 libtsan2 libubsan1 libudev1 linux-libc-dev openssl perl perl-base systemd systemd-sysv sysvinit-utils xz-utils zlib1g 64 upgraded, 3 newly installed, 1 to remove and 0 not upgraded. Need to get 88.4 MB of archives. After this operation, 48.2 MB of additional disk space will be used. Get:1 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 coreutils amd64 9.1-1ubuntu1 [1408 kB] Get:2 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 liblzma5 amd64 5.4.0-0.1 [124 kB] Get:3 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 dpkg amd64 1.21.13ubuntu1 [1345 kB] Get:4 http://ftpmaster.internal/ubuntu lunar/main amd64 dash amd64 0.5.11+git20210903+057cd650a4ed-9ubuntu1 [88.5 kB] Get:5 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 diffutils amd64 1:3.8-3 [176 kB] Get:6 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 perl-modules-5.36 all 5.36.0-6 [2985 kB] Get:7 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libperl5.36 amd64 5.36.0-6 [4805 kB] Get:8 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 perl amd64 5.36.0-6 [235 kB] Get:9 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 perl-base amd64 5.36.0-6 [1780 kB] Get:10 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 zlib1g amd64 1:1.2.13.dfsg-1ubuntu3 [61.6 kB] Get:11 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 sysvinit-utils amd64 3.05-7ubuntu1 [26.2 kB] Get:12 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 systemd-sysv amd64 252.1-1ubuntu1 [11.4 kB] Get:13 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libaudit-common all 1:3.0.7-1ubuntu3 [4864 B] Get:14 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libaudit1 amd64 1:3.0.7-1ubuntu3 [45.1 kB] Get:15 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 debconf all 1.5.80 [125 kB] Get:16 http://ftpmaster.internal/ubuntu lunar/main amd64 libssl3 amd64 3.0.5-2ubuntu2 [1893 kB] Get:17 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libkmod2 amd64 30+20220905-1ubuntu1 [49.6 kB] Get:18 http://ftpmaster.internal/ubuntu lunar/main amd64 libapparmor1 amd64 3.0.8-1ubuntu1 [36.9 kB] Get:19 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libcap2 amd64 1:2.66-3 [27.8 kB] Get:20 http://ftpmaster.internal/ubuntu lunar/main amd64 liblz4-1 amd64 1.9.4-1 [63.1 kB] Get:21 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 systemd amd64 252.1-1ubuntu1 [2994 kB] Get:22 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libsystemd-shared amd64 252.1-1ubuntu1 [1756 kB] Get:23 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libsystemd0 amd64 252.1-1ubuntu1 [330 kB] Get:24 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libubsan1 amd64 12.2.0-10ubuntu1 [969 kB] Get:25 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libgomp1 amd64 12.2.0-10ubuntu1 [125 kB] Get:26 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libitm1 amd64 12.2.0-10ubuntu1 [29.5 kB] Get:27 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libatomic1 amd64 12.2.0-10ubuntu1 [10.4 kB] Get:28 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libasan8 amd64 12.2.0-10ubuntu1 [2429 kB] Get:29 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 liblsan0 amd64 12.2.0-10ubuntu1 [1060 kB] Get:30 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libquadmath0 amd64 12.2.0-10ubuntu1 [152 kB] Get:31 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 cpp-12 amd64 12.2.0-10ubuntu1 [10.6 MB] Get:32 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libcc1-0 amd64 12.2.0-10ubuntu1 [46.5 kB] Get:33 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libctf-nobfd0 amd64 2.39.50.20221224-1ubuntu1 [99.7 kB] Get:34 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libgprofng0 amd64 2.39.50.20221224-1ubuntu1 [897 kB] Get:35 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libctf0 amd64 2.39.50.20221224-1ubuntu1 [97.4 kB] Get:36 http://ftpmaster.internal/ubuntu lunar/main amd64 libjansson4 amd64 2.14-2 [33.0 kB] Get:37 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 binutils-x86-64-linux-gnu amd64 2.39.50.20221224-1ubuntu1 [2456 kB] Get:38 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libbinutils amd64 2.39.50.20221224-1ubuntu1 [631 kB] Get:39 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 binutils-common amd64 2.39.50.20221224-1ubuntu1 [235 kB] Get:40 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 binutils amd64 2.39.50.20221224-1ubuntu1 [3258 B] Get:41 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 gcc-12-base amd64 12.2.0-10ubuntu1 [19.6 kB] Get:42 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libstdc++6 amd64 12.2.0-10ubuntu1 [678 kB] Get:43 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libstdc++-12-dev amd64 12.2.0-10ubuntu1 [2158 kB] Get:44 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 g++-12 amd64 12.2.0-10ubuntu1 [12.0 MB] Get:45 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 gcc-12 amd64 12.2.0-10ubuntu1 [21.4 MB] Get:46 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libgcc-12-dev amd64 12.2.0-10ubuntu1 [2577 kB] Get:47 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libtsan2 amd64 12.2.0-10ubuntu1 [2456 kB] Get:48 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libgcc-s1 amd64 12.2.0-10ubuntu1 [53.9 kB] Get:49 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libudev1 amd64 252.1-1ubuntu1 [88.7 kB] Get:50 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 adduser all 3.129ubuntu1 [59.0 kB] Get:51 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 gpgv amd64 2.2.40-1ubuntu2 [137 kB] Get:52 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libpcre3 amd64 2:8.39-15 [250 kB] Get:53 http://ftpmaster.internal/ubuntu lunar/main amd64 openssl amd64 3.0.5-2ubuntu2 [1178 kB] Get:54 http://ftpmaster.internal/ubuntu lunar/main amd64 ca-certificates all 20211016ubuntu1 [141 kB] Get:55 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libkeyutils1 amd64 1.6.3-2 [9356 B] Get:56 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libkrb5support0 amd64 1.20.1-1build1 [31.4 kB] Get:57 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libk5crypto3 amd64 1.20.1-1build1 [81.1 kB] Get:58 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libgssapi-krb5-2 amd64 1.20.1-1build1 [142 kB] Get:59 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libkrb5-3 amd64 1.20.1-1build1 [346 kB] Get:60 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libsqlite3-0 amd64 3.40.0-2 [655 kB] Get:61 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 xz-utils amd64 5.4.0-0.1 [176 kB] Get:62 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 dpkg-dev all 1.21.13ubuntu1 [1070 kB] Get:63 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libdpkg-perl all 1.21.13ubuntu1 [242 kB] Get:64 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 gpg amd64 2.2.40-1ubuntu2 [523 kB] Get:65 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 gpgconf amd64 2.2.40-1ubuntu2 [93.7 kB] Get:66 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 gpg-agent amd64 2.2.40-1ubuntu2 [217 kB] Get:67 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 linux-libc-dev amd64 5.19.0-23.24 [1345 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 88.4 MB in 1s (173 MB/s) (Reading database ... 13639 files and directories currently installed.) Preparing to unpack .../coreutils_9.1-1ubuntu1_amd64.deb ... Unpacking coreutils (9.1-1ubuntu1) over (8.32-4.1ubuntu1) ... Setting up coreutils (9.1-1ubuntu1) ... (Reading database ... 13639 files and directories currently installed.) Preparing to unpack .../liblzma5_5.4.0-0.1_amd64.deb ... Unpacking liblzma5:amd64 (5.4.0-0.1) over (5.2.9-0.0) ... Setting up liblzma5:amd64 (5.4.0-0.1) ... (Reading database ... 13639 files and directories currently installed.) Preparing to unpack .../dpkg_1.21.13ubuntu1_amd64.deb ... Unpacking dpkg (1.21.13ubuntu1) over (1.21.11ubuntu2) ... Setting up dpkg (1.21.13ubuntu1) ... (Reading database ... 13639 files and directories currently installed.) Preparing to unpack .../dash_0.5.11+git20210903+057cd650a4ed-9ubuntu1_amd64.deb ... Unpacking dash (0.5.11+git20210903+057cd650a4ed-9ubuntu1) over (0.5.11+git20210903+057cd650a4ed-8ubuntu1) ... Setting up dash (0.5.11+git20210903+057cd650a4ed-9ubuntu1) ... 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Setting up libctf0:amd64 (2.39.50.20221224-1ubuntu1) ... Setting up gpg-agent (2.2.40-1ubuntu2) ... Setting up ca-certificates (20211016ubuntu1) ... Updating certificates in /etc/ssl/certs... rehash: warning: skipping ca-certificates.crt,it does not contain exactly one certificate or CRL 0 added, 3 removed; done. Setting up perl (5.36.0-6) ... Setting up libgprofng0:amd64 (2.39.50.20221224-1ubuntu1) ... Setting up libgcc-12-dev:amd64 (12.2.0-10ubuntu1) ... Setting up libgssapi-krb5-2:amd64 (1.20.1-1build1) ... Setting up libsystemd-shared:amd64 (252.1-1ubuntu1) ... Setting up libdpkg-perl (1.21.13ubuntu1) ... Setting up binutils-x86-64-linux-gnu (2.39.50.20221224-1ubuntu1) ... Setting up libstdc++-12-dev:amd64 (12.2.0-10ubuntu1) ... Setting up systemd (252.1-1ubuntu1) ... Installing new version of config file /etc/systemd/logind.conf ... Installing new version of config file /etc/systemd/system.conf ... Installing new version of config file /etc/systemd/user.conf ... Initializing machine ID from random generator. Setting up binutils (2.39.50.20221224-1ubuntu1) ... Setting up dpkg-dev (1.21.13ubuntu1) ... Setting up gcc-12 (12.2.0-10ubuntu1) ... Setting up g++-12 (12.2.0-10ubuntu1) ... Setting up systemd-sysv (252.1-1ubuntu1) ... Processing triggers for debianutils (5.7-0.4) ... Processing triggers for libc-bin (2.36-0ubuntu4) ... (Reading database ... 15586 files and directories currently installed.) Purging configuration files for lsb-base (11.2ubuntu1) ... Processing triggers for ca-certificates (20211016ubuntu1) ... Updating certificates in /etc/ssl/certs... 0 added, 0 removed; done. Running hooks in /etc/ca-certificates/update.d... done. RUN: /usr/share/launchpad-buildd/bin/sbuild-package PACKAGEBUILD-25422470 amd64 lunar-proposed -c chroot:build-PACKAGEBUILD-25422470 --arch=amd64 --dist=lunar-proposed --nolog -A chemps2_1.8.12-1build1.dsc Initiating build PACKAGEBUILD-25422470 with 4 jobs across 4 processor cores. Kernel reported to sbuild: 5.4.0-135-generic #152-Ubuntu SMP Wed Nov 23 20:19:22 UTC 2022 x86_64 sbuild (Debian sbuild) 0.79.0 (05 February 2020) on lcy02-amd64-033.buildd +==============================================================================+ | chemps2 1.8.12-1build1 (amd64) Sun, 25 Dec 2022 19:40:00 +0000 | +==============================================================================+ Package: chemps2 Version: 1.8.12-1build1 Source Version: 1.8.12-1build1 Distribution: lunar-proposed Machine Architecture: amd64 Host Architecture: amd64 Build Architecture: amd64 Build Type: binary I: NOTICE: Log filtering will replace 'home/buildd/build-PACKAGEBUILD-25422470/chroot-autobuild' with '<>' I: NOTICE: Log filtering will replace 'build/chemps2-sETXp7/resolver-yeXMIH' with '<>' +------------------------------------------------------------------------------+ | Fetch source files | +------------------------------------------------------------------------------+ Local sources ------------- chemps2_1.8.12-1build1.dsc exists in .; copying to chroot I: NOTICE: Log filtering will replace 'build/chemps2-sETXp7/chemps2-1.8.12' with '<>' I: NOTICE: Log filtering will replace 'build/chemps2-sETXp7' with '<>' +------------------------------------------------------------------------------+ | Install package build dependencies | +------------------------------------------------------------------------------+ Setup apt archive ----------------- Merged Build-Depends: debhelper (>= 11), cmake (>= 3.0.2), libblas-dev, liblapack-dev, libhdf5-dev, dh-python, python3-all (>= 3.6), python3-setuptools, python3-docutils, cython3 (>= 0.19), python3-numpy, libpython3-dev, build-essential, fakeroot, python3-sphinx (>= 1.1), libjs-mathjax, libjs-jquery, libjs-underscore Filtered Build-Depends: debhelper (>= 11), cmake (>= 3.0.2), libblas-dev, liblapack-dev, libhdf5-dev, dh-python, python3-all (>= 3.6), python3-setuptools, python3-docutils, cython3 (>= 0.19), python3-numpy, libpython3-dev, build-essential, fakeroot, python3-sphinx (>= 1.1), libjs-mathjax, libjs-jquery, libjs-underscore dpkg-deb: building package 'sbuild-build-depends-main-dummy' in '/<>/apt_archive/sbuild-build-depends-main-dummy.deb'. Ign:1 copy:/<>/apt_archive ./ InRelease Get:2 copy:/<>/apt_archive ./ Release [957 B] Ign:3 copy:/<>/apt_archive ./ Release.gpg Get:4 copy:/<>/apt_archive ./ Sources [487 B] Get:5 copy:/<>/apt_archive ./ Packages [566 B] Fetched 2010 B in 0s (0 B/s) Reading package lists... Reading package lists... Install main build dependencies (apt-based resolver) ---------------------------------------------------- Installing build dependencies Reading package lists... Building dependency tree... Reading state information... The following packages were automatically installed and are no longer required: libperl5.34 perl-modules-5.34 Use 'apt autoremove' to remove them. The following additional packages will be installed: autoconf automake autopoint autotools-dev bsdextrautils cmake cmake-data cython3 debhelper debugedit dh-autoreconf dh-python dh-strip-nondeterminism docutils-common dwz file fonts-mathjax gettext gettext-base groff-base hdf5-helpers intltool-debian libaec-dev libaec0 libarchive-zip-perl libarchive13 libblas-dev libblas3 libbrotli1 libcurl4 libcurl4-openssl-dev libdebhelper-perl libdw1 libelf1 libexpat1 libexpat1-dev libfile-stripnondeterminism-perl libgfortran5 libhdf5-103-1 libhdf5-cpp-103-1 libhdf5-dev libhdf5-fortran-102 libhdf5-hl-100 libhdf5-hl-cpp-100 libhdf5-hl-fortran-100 libicu71 libjpeg-dev libjpeg-turbo8 libjpeg-turbo8-dev libjpeg8 libjpeg8-dev libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore libjson-perl libjsoncpp25 liblapack-dev liblapack3 libldap2 libmagic-mgc libmagic1 libmpdec3 libnghttp2-14 libpipeline1 libpsl5 libpython3-dev libpython3-stdlib libpython3.10-minimal libpython3.10-stdlib libpython3.11 libpython3.11-dev libpython3.11-minimal libpython3.11-stdlib librhash0 librtmp1 libsasl2-2 libsasl2-modules-db libssh-4 libssl-dev libsub-override-perl libsz2 libtool libuchardet0 libuv1 libxml2 m4 man-db media-types po-debconf python-babel-localedata python3 python3-alabaster python3-all python3-babel python3-certifi python3-chardet python3-distutils python3-docutils python3-idna python3-imagesize python3-jinja2 python3-lib2to3 python3-markupsafe python3-minimal python3-numpy python3-packaging python3-pkg-resources python3-pygments python3-pyparsing python3-requests python3-roman python3-setuptools python3-six python3-snowballstemmer python3-sphinx python3-tz python3-urllib3 python3.10 python3.10-minimal python3.11 python3.11-minimal sgml-base sphinx-common xml-core zlib1g-dev Suggested packages: autoconf-archive gnu-standards autoconf-doc cmake-doc cmake-format elpa-cmake-mode ninja-build cython-doc dh-make flit python3-build python3-tomli python3-installer gettext-doc libasprintf-dev libgettextpo-dev groff lrzip liblapack-doc libcurl4-doc libidn11-dev libkrb5-dev libldap2-dev librtmp-dev libssh2-1-dev pkg-config libhdf5-doc fonts-mathjax-extras fonts-stix libjs-mathjax-doc libssl-doc libtool-doc gfortran | fortran95-compiler gcj-jdk m4-doc apparmor less www-browser libmail-box-perl python3-doc python3-tk python3-venv docutils-doc fonts-linuxlibertine | ttf-linux-libertine texlive-lang-french texlive-latex-base texlive-latex-recommended python-jinja2-doc gfortran python-numpy-doc python3-dev python3-pytest python-pygments-doc ttf-bitstream-vera python-pyparsing-doc python3-cryptography python3-openssl python3-socks python-requests-doc python-setuptools-doc python3-stemmer dvipng fonts-freefont-otf imagemagick-6.q16 latexmk python3-sphinx-rtd-theme sphinx-doc tex-gyre texlive-fonts-recommended texlive-latex-extra texlive-plain-generic python3-brotli python3.10-venv python3.10-doc binfmt-support python3.11-venv python3.11-doc sgml-base-doc Recommended packages: python3-dev curl | wget | lynx libarchive-cpio-perl javascript-common libjson-xs-perl libldap-common publicsuffix libsasl2-modules libltdl-dev libmail-sendmail-perl libpaper-utils python3-pil The following NEW packages will be installed: autoconf automake autopoint autotools-dev bsdextrautils cmake cmake-data cython3 debhelper debugedit dh-autoreconf dh-python dh-strip-nondeterminism docutils-common dwz file fonts-mathjax gettext gettext-base groff-base hdf5-helpers intltool-debian libaec-dev libaec0 libarchive-zip-perl libarchive13 libblas-dev libblas3 libbrotli1 libcurl4 libcurl4-openssl-dev libdebhelper-perl libdw1 libelf1 libexpat1 libexpat1-dev libfile-stripnondeterminism-perl libgfortran5 libhdf5-103-1 libhdf5-cpp-103-1 libhdf5-dev libhdf5-fortran-102 libhdf5-hl-100 libhdf5-hl-cpp-100 libhdf5-hl-fortran-100 libicu71 libjpeg-dev libjpeg-turbo8 libjpeg-turbo8-dev libjpeg8 libjpeg8-dev libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore libjson-perl libjsoncpp25 liblapack-dev liblapack3 libldap2 libmagic-mgc libmagic1 libmpdec3 libnghttp2-14 libpipeline1 libpsl5 libpython3-dev libpython3-stdlib libpython3.10-minimal libpython3.10-stdlib libpython3.11 libpython3.11-dev libpython3.11-minimal libpython3.11-stdlib librhash0 librtmp1 libsasl2-2 libsasl2-modules-db libssh-4 libssl-dev libsub-override-perl libsz2 libtool libuchardet0 libuv1 libxml2 m4 man-db media-types po-debconf python-babel-localedata python3 python3-alabaster python3-all python3-babel python3-certifi python3-chardet python3-distutils python3-docutils python3-idna python3-imagesize python3-jinja2 python3-lib2to3 python3-markupsafe python3-minimal python3-numpy python3-packaging python3-pkg-resources python3-pygments python3-pyparsing python3-requests python3-roman python3-setuptools python3-six python3-snowballstemmer python3-sphinx python3-tz python3-urllib3 python3.10 python3.10-minimal python3.11 python3.11-minimal sbuild-build-depends-main-dummy sgml-base sphinx-common xml-core zlib1g-dev 0 upgraded, 127 newly installed, 0 to remove and 0 not upgraded. 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amd64 libsasl2-2 amd64 2.1.28+dfsg-6ubuntu3 [56.6 kB] Get:42 http://ftpmaster.internal/ubuntu lunar/main amd64 libldap2 amd64 2.6.3+dfsg-1~exp1ubuntu1 [184 kB] Get:43 http://ftpmaster.internal/ubuntu lunar/main amd64 librtmp1 amd64 2.4+20151223.gitfa8646d.1-2build4 [58.2 kB] Get:44 http://ftpmaster.internal/ubuntu lunar/main amd64 libssh-4 amd64 0.10.4-2 [185 kB] Get:45 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 libcurl4 amd64 7.87.0-1 [294 kB] Get:46 http://ftpmaster.internal/ubuntu lunar/main amd64 libjsoncpp25 amd64 1.9.5-4 [80.3 kB] Get:47 http://ftpmaster.internal/ubuntu lunar/main amd64 librhash0 amd64 1.4.3-3 [128 kB] Get:48 http://ftpmaster.internal/ubuntu lunar/main amd64 cmake-data all 3.25.1-1 [2049 kB] Get:49 http://ftpmaster.internal/ubuntu lunar/main amd64 cmake amd64 3.25.1-1 [9271 kB] Get:50 http://ftpmaster.internal/ubuntu lunar/universe amd64 cython3 amd64 0.29.32-2ubuntu1 [1711 kB] Get:51 http://ftpmaster.internal/ubuntu lunar/main amd64 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1.10.8+repack-1ubuntu1 [85.3 kB] Get:82 http://ftpmaster.internal/ubuntu lunar/universe amd64 libhdf5-hl-100 amd64 1.10.8+repack-1ubuntu1 [55.9 kB] Get:83 http://ftpmaster.internal/ubuntu lunar/universe amd64 libhdf5-hl-fortran-100 amd64 1.10.8+repack-1ubuntu1 [32.0 kB] Get:84 http://ftpmaster.internal/ubuntu lunar/universe amd64 libhdf5-hl-cpp-100 amd64 1.10.8+repack-1ubuntu1 [10.7 kB] Get:85 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 zlib1g-dev amd64 1:1.2.13.dfsg-1ubuntu3 [895 kB] Get:86 http://ftpmaster.internal/ubuntu lunar/main amd64 libjpeg-turbo8 amd64 2.1.2-0ubuntu1 [134 kB] Get:87 http://ftpmaster.internal/ubuntu lunar/main amd64 libjpeg-turbo8-dev amd64 2.1.2-0ubuntu1 [257 kB] Get:88 http://ftpmaster.internal/ubuntu lunar/main amd64 libjpeg8 amd64 8c-2ubuntu10 [2264 B] Get:89 http://ftpmaster.internal/ubuntu lunar/main amd64 libjpeg8-dev amd64 8c-2ubuntu10 [1476 B] Get:90 http://ftpmaster.internal/ubuntu lunar/main amd64 libjpeg-dev amd64 8c-2ubuntu10 [1472 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all 0.17.1+dfsg-3 [386 kB] Get:111 http://ftpmaster.internal/ubuntu lunar/main amd64 python3-idna all 3.3-1 [49.3 kB] Get:112 http://ftpmaster.internal/ubuntu lunar/main amd64 python3-imagesize all 1.4.1-1 [6844 B] Get:113 http://ftpmaster.internal/ubuntu lunar/main amd64 python3-markupsafe amd64 2.1.1-1 [12.7 kB] Get:114 http://ftpmaster.internal/ubuntu lunar/main amd64 python3-jinja2 all 3.0.3-2 [107 kB] Get:115 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 python3-numpy amd64 1:1.23.5-2 [6100 kB] Get:116 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 python3-pyparsing all 3.0.9-1 [83.1 kB] Get:117 http://ftpmaster.internal/ubuntu lunar/main amd64 python3-packaging all 21.3-1.1 [30.6 kB] Get:118 http://ftpmaster.internal/ubuntu lunar/main amd64 python3-pygments all 2.13.0+dfsg-1 [769 kB] Get:119 http://ftpmaster.internal/ubuntu lunar/main amd64 python3-six all 1.16.0-4 [12.4 kB] Get:120 http://ftpmaster.internal/ubuntu lunar/main amd64 python3-urllib3 all 1.26.12-1 [99.7 kB] Get:121 http://ftpmaster.internal/ubuntu lunar/main amd64 python3-requests all 2.28.1+dfsg-1ubuntu1 [49.9 kB] Get:122 http://ftpmaster.internal/ubuntu lunar-proposed/main amd64 python3-setuptools all 65.5.0-1.1 [452 kB] Get:123 http://ftpmaster.internal/ubuntu lunar/main amd64 python3-snowballstemmer all 2.2.0-2 [59.6 kB] Get:124 http://ftpmaster.internal/ubuntu lunar/main amd64 sphinx-common all 5.3.0-2 [691 kB] Get:125 http://ftpmaster.internal/ubuntu lunar/main amd64 python3-alabaster all 0.7.12-1 [17.8 kB] Get:126 http://ftpmaster.internal/ubuntu lunar/main amd64 python3-sphinx all 5.3.0-2 [558 kB] Get:127 http://ftpmaster.internal/ubuntu lunar/main amd64 libjs-mathjax all 2.7.9+dfsg-1 [5665 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 95.1 MB in 1s (136 MB/s) Selecting previously unselected package libpython3.11-minimal:amd64. (Reading database ... 15586 files and directories currently installed.) Preparing to unpack .../libpython3.11-minimal_3.11.1-1_amd64.deb ... Unpacking libpython3.11-minimal:amd64 (3.11.1-1) ... Selecting previously unselected package libexpat1:amd64. Preparing to unpack .../libexpat1_2.5.0-1_amd64.deb ... Unpacking libexpat1:amd64 (2.5.0-1) ... Selecting previously unselected package python3.11-minimal. Preparing to unpack .../python3.11-minimal_3.11.1-1_amd64.deb ... Unpacking python3.11-minimal (3.11.1-1) ... Setting up libpython3.11-minimal:amd64 (3.11.1-1) ... Setting up libexpat1:amd64 (2.5.0-1) ... Setting up python3.11-minimal (3.11.1-1) ... Selecting previously unselected package python3-minimal. (Reading database ... 15900 files and directories currently installed.) Preparing to unpack .../0-python3-minimal_3.11.1-0ubuntu1_amd64.deb ... Unpacking python3-minimal (3.11.1-0ubuntu1) ... Selecting previously unselected package media-types. 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Setting up po-debconf (1.0.21+nmu1) ... Setting up libjpeg-dev:amd64 (8c-2ubuntu10) ... Setting up python3 (3.11.1-0ubuntu1) ... Setting up man-db (2.11.1-1) ... Not building database; man-db/auto-update is not 'true'. Created symlink /etc/systemd/system/timers.target.wants/man-db.timer → /lib/systemd/system/man-db.timer. Setting up python3-markupsafe (2.1.1-1) ... Setting up python3-tz (2022.7-1) ... Setting up python3-six (1.16.0-4) ... Setting up python3-roman (3.3-3) ... Setting up python3-jinja2 (3.0.3-2) ... Setting up python3-pyparsing (3.0.9-1) ... Setting up python3-certifi (2022.9.24-1) ... Setting up libcurl4-openssl-dev:amd64 (7.87.0-1) ... Setting up python3-snowballstemmer (2.2.0-2) ... Setting up libpython3.11-dev:amd64 (3.11.1-1) ... Setting up sphinx-common (5.3.0-2) ... Setting up python3-idna (3.3-1) ... Setting up cython3 (0.29.32-2ubuntu1) ... Setting up python3-urllib3 (1.26.12-1) ... Setting up libhdf5-103-1:amd64 (1.10.8+repack-1ubuntu1) ... Setting up libhdf5-cpp-103-1:amd64 (1.10.8+repack-1ubuntu1) ... Setting up cmake (3.25.1-1) ... Setting up python3-lib2to3 (3.10.8-1) ... Setting up python3-imagesize (1.4.1-1) ... Setting up libhdf5-hl-100:amd64 (1.10.8+repack-1ubuntu1) ... Setting up python3-pkg-resources (65.5.0-1.1) ... Setting up python3-distutils (3.10.8-1) ... Setting up dh-python (5.20221205) ... Setting up libpython3-dev:amd64 (3.11.1-0ubuntu1) ... Setting up python3-setuptools (65.5.0-1.1) ... Setting up python3-babel (2.10.3-1) ... update-alternatives: using /usr/bin/pybabel-python3 to provide /usr/bin/pybabel (pybabel) in auto mode Setting up python3-alabaster (0.7.12-1) ... Setting up python3-all (3.11.1-0ubuntu1) ... Setting up debhelper (13.10.1ubuntu1) ... Setting up python3-pygments (2.13.0+dfsg-1) ... Setting up libhdf5-hl-cpp-100:amd64 (1.10.8+repack-1ubuntu1) ... Setting up python3-packaging (21.3-1.1) ... Setting up python3-chardet (5.1.0+dfsg-1) ... Setting up python3-requests (2.28.1+dfsg-1ubuntu1) ... Setting up libhdf5-fortran-102:amd64 (1.10.8+repack-1ubuntu1) ... Setting up python3-numpy (1:1.23.5-2) ... Setting up libhdf5-hl-fortran-100:amd64 (1.10.8+repack-1ubuntu1) ... Setting up libhdf5-dev (1.10.8+repack-1ubuntu1) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Processing triggers for libc-bin (2.36-0ubuntu4) ... Processing triggers for systemd (252.1-1ubuntu1) ... Processing triggers for sgml-base (1.31) ... Setting up docutils-common (0.17.1+dfsg-3) ... Processing triggers for sgml-base (1.31) ... Setting up python3-docutils (0.17.1+dfsg-3) ... Setting up python3-sphinx (5.3.0-2) ... Setting up sbuild-build-depends-main-dummy (0.invalid.0) ... +------------------------------------------------------------------------------+ | Check architectures | +------------------------------------------------------------------------------+ Arch check ok (amd64 included in any all) +------------------------------------------------------------------------------+ | Build environment | +------------------------------------------------------------------------------+ Kernel: Linux 5.4.0-135-generic #152-Ubuntu SMP Wed Nov 23 20:19:22 UTC 2022 amd64 (x86_64) Toolchain package versions: binutils_2.39.50.20221224-1ubuntu1 dpkg-dev_1.21.13ubuntu1 g++-12_12.2.0-10ubuntu1 gcc-12_12.2.0-10ubuntu1 libc6-dev_2.36-0ubuntu4 libstdc++-12-dev_12.2.0-10ubuntu1 libstdc++6_12.2.0-10ubuntu1 linux-libc-dev_5.19.0-23.24 Package versions: adduser_3.129ubuntu1 advancecomp_2.4-1 apt_2.5.4 autoconf_2.71-2 automake_1:1.16.5-1.3 autopoint_0.21-10 autotools-dev_20220109.1 base-files_12.3ubuntu1 base-passwd_3.6.1 bash_5.2-1ubuntu2 binutils_2.39.50.20221224-1ubuntu1 binutils-common_2.39.50.20221224-1ubuntu1 binutils-x86-64-linux-gnu_2.39.50.20221224-1ubuntu1 bsdextrautils_2.38.1-4ubuntu1 bsdutils_1:2.38.1-4ubuntu1 build-essential_12.9ubuntu3 bzip2_1.0.8-5build1 ca-certificates_20211016ubuntu1 cmake_3.25.1-1 cmake-data_3.25.1-1 coreutils_9.1-1ubuntu1 cpp_4:12.2.0-1ubuntu1 cpp-12_12.2.0-10ubuntu1 cython3_0.29.32-2ubuntu1 dash_0.5.11+git20210903+057cd650a4ed-9ubuntu1 debconf_1.5.80 debhelper_13.10.1ubuntu1 debianutils_5.7-0.4 debugedit_1:5.0-5 dh-autoreconf_20 dh-python_5.20221205 dh-strip-nondeterminism_1.13.0-2 diffutils_1:3.8-3 docutils-common_0.17.1+dfsg-3 dpkg_1.21.13ubuntu1 dpkg-dev_1.21.13ubuntu1 dwz_0.14+20220924-2 e2fsprogs_1.46.6~rc1-1ubuntu1 fakeroot_1.30.1-1ubuntu1 file_1:5.41-4 findutils_4.9.0-3ubuntu1 fonts-mathjax_2.7.9+dfsg-1 g++_4:12.2.0-1ubuntu1 g++-12_12.2.0-10ubuntu1 gcc_4:12.2.0-1ubuntu1 gcc-12_12.2.0-10ubuntu1 gcc-12-base_12.2.0-10ubuntu1 gettext_0.21-10 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python3-pygments_2.13.0+dfsg-1 python3-pyparsing_3.0.9-1 python3-requests_2.28.1+dfsg-1ubuntu1 python3-roman_3.3-3 python3-setuptools_65.5.0-1.1 python3-six_1.16.0-4 python3-snowballstemmer_2.2.0-2 python3-sphinx_5.3.0-2 python3-tz_2022.7-1 python3-urllib3_1.26.12-1 python3.10_3.10.9-1 python3.10-minimal_3.10.9-1 python3.11_3.11.1-1 python3.11-minimal_3.11.1-1 readline-common_8.2-1.2 rpcsvc-proto_1.4.2-0ubuntu6 sbuild-build-depends-main-dummy_0.invalid.0 sed_4.8-1ubuntu2 sensible-utils_0.0.17 sgml-base_1.31 sphinx-common_5.3.0-2 systemd_252.1-1ubuntu1 systemd-sysv_252.1-1ubuntu1 sysvinit-utils_3.05-7ubuntu1 tar_1.34+dfsg-1.1 tzdata_2022g-0ubuntu2 ubuntu-keyring_2021.03.26 usrmerge_33ubuntu1 util-linux_2.38.1-4ubuntu1 util-linux-extra_2.38.1-4ubuntu1 xml-core_0.18+nmu1 xz-utils_5.4.0-0.1 zlib1g_1:1.2.13.dfsg-1ubuntu3 zlib1g-dev_1:1.2.13.dfsg-1ubuntu3 +------------------------------------------------------------------------------+ | Build | +------------------------------------------------------------------------------+ Unpack source ------------- -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: chemps2 Binary: libchemps2-3, libchemps2-dev, chemps2-doc, chemps2, python3-chemps2 Architecture: any all Version: 1.8.12-1build1 Maintainer: Debichem Team Uploaders: Sebastian Wouters , Michael Banck Homepage: http://sebwouters.github.io/CheMPS2/index.html Standards-Version: 4.2.1 Vcs-Browser: https://salsa.debian.org/debichem-team/chemps2 Vcs-Git: https://salsa.debian.org/debichem-team/chemps2.git Testsuite: autopkgtest Testsuite-Triggers: cmake, g++, libhdf5-dev, python3-all, python3-numpy Build-Depends: debhelper (>= 11), cmake (>= 3.0.2), libblas-dev, liblapack-dev, libhdf5-dev, dh-python, python3-all (>= 3.6), python3-setuptools, python3-docutils, cython3 (>= 0.19), python3-numpy, libpython3-dev Build-Depends-Indep: python3-sphinx (>= 1.1), libjs-mathjax, libjs-jquery, libjs-underscore Package-List: chemps2 deb science optional arch=any chemps2-doc deb doc optional arch=all libchemps2-3 deb libs optional arch=any libchemps2-dev deb libdevel optional arch=any python3-chemps2 deb python optional arch=any Checksums-Sha1: 67941ec12056a3c7b004650dad67ee1664d75826 1250047 chemps2_1.8.12.orig.tar.gz ceba61d4f797b9377959e86e088d4afa7edbfeab 14812 chemps2_1.8.12-1build1.debian.tar.xz Checksums-Sha256: eef1b92d74ac07fde58c043f64e8cac02b5400c209c44dcbb51641f86e0c7c83 1250047 chemps2_1.8.12.orig.tar.gz 7c03d10050fec9f981d774a2d628916829fb71160e675ae97bd9f7d397ce1c4b 14812 chemps2_1.8.12-1build1.debian.tar.xz Files: 66811448c478d39cc3407a972bd958a0 1250047 chemps2_1.8.12.orig.tar.gz 22986a6ed5e02a76fa76f984b04a70c0 14812 chemps2_1.8.12-1build1.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQIzBAEBCgAdFiEEJeP/LX9Gnb59DU5Qr8/sjmac4cIFAmOopsoACgkQr8/sjmac 4cJcaQ/+Nn5V9Y4KNWfLeo4htKbXQFCLqSt5NT6X4oOm4qRBENz5/qOFpEUSoFo7 Pd3k5Q/uqhiitbEAh8fgKP0bn9Et3eAUTshNr54m+M+ibja8Z18Qboqnsx1RPBGX 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unpacking chemps2_1.8.12-1build1.debian.tar.xz Check disk space ---------------- Sufficient free space for build User Environment ---------------- APT_CONFIG=/var/lib/sbuild/apt.conf DEB_BUILD_OPTIONS=parallel=4 HOME=/sbuild-nonexistent LANG=C.UTF-8 LC_ALL=C.UTF-8 LOGNAME=buildd PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games SCHROOT_ALIAS_NAME=build-PACKAGEBUILD-25422470 SCHROOT_CHROOT_NAME=build-PACKAGEBUILD-25422470 SCHROOT_COMMAND=env SCHROOT_GID=2501 SCHROOT_GROUP=buildd SCHROOT_SESSION_ID=build-PACKAGEBUILD-25422470 SCHROOT_UID=2001 SCHROOT_USER=buildd SHELL=/bin/sh TERM=unknown USER=buildd V=1 dpkg-buildpackage ----------------- Command: dpkg-buildpackage -us -uc -mLaunchpad Build Daemon -b -rfakeroot dpkg-buildpackage: info: source package chemps2 dpkg-buildpackage: info: source version 1.8.12-1build1 dpkg-buildpackage: info: source distribution lunar dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 fakeroot debian/rules clean dh clean --with python3 debian/rules override_dh_clean make[1]: Entering directory '/<>' dh_clean rm -rf build-sphinx PyCheMPS2/build PyCheMPS2/PyCheMPS2.cpp PyCheMPS2/*.pyc make[1]: Leaving directory '/<>' debian/rules build dh build --with python3 dh_update_autotools_config dh_autoreconf debian/rules override_dh_auto_configure make[1]: Entering directory '/<>' dh_auto_configure -- -DCMAKE_INSTALL_LIBDIR=lib/x86_64-linux-gnu \ -DENABLE_XHOST=OFF \ -DBUILD_SPHINX=ON \ -DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial \ -DCMAKE_BUILD_TYPE=release cd obj-x86_64-linux-gnu && cmake -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_SYSCONFDIR=/etc -DCMAKE_INSTALL_LOCALSTATEDIR=/var -DCMAKE_EXPORT_NO_PACKAGE_REGISTRY=ON -DCMAKE_FIND_USE_PACKAGE_REGISTRY=OFF -DCMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY=ON -DFETCHCONTENT_FULLY_DISCONNECTED=ON -DCMAKE_INSTALL_RUNSTATEDIR=/run "-GUnix Makefiles" -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_INSTALL_LIBDIR=lib/x86_64-linux-gnu -DCMAKE_INSTALL_LIBDIR=lib/x86_64-linux-gnu -DENABLE_XHOST=OFF -DBUILD_SPHINX=ON -DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial -DCMAKE_BUILD_TYPE=release .. -- The C compiler identification is GNU 12.2.0 -- The CXX compiler identification is GNU 12.2.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/cc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/c++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- The CMake build type is release -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- Performing Test HAS_IPO -- Performing Test HAS_IPO - Failed -- Performing Test HAS_FLTO -- Performing Test HAS_FLTO - Success -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success -- Found Threads: TRUE -- LAPACK detected. -- Found TargetLAPACK: Found LAPACK: /usr/lib/x86_64-linux-gnu/liblapack.so;/usr/lib/x86_64-linux-gnu/libblas.so -- HDF5 detected. -- Found TargetHDF5: Found HDF5: /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/x86_64-linux-gnu/libcrypto.so;/usr/lib/x86_64-linux-gnu/libcurl.so;/usr/lib/x86_64-linux-gnu/libpthread.a;/usr/lib/x86_64-linux-gnu/libsz.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libdl.a;/usr/lib/x86_64-linux-gnu/libm.so (found version 1.10.8) (found version "1.10.8") -- Found Sphinx: /usr/bin/sphinx-build -- Configuring done -- Generating done CMake Warning: Manually-specified variables were not used by the project: CMAKE_EXPORT_NO_PACKAGE_REGISTRY CMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY FETCHCONTENT_FULLY_DISCONNECTED -- Build files have been written to: /<>/obj-x86_64-linux-gnu make[1]: Leaving directory '/<>' debian/rules override_dh_auto_build make[1]: Entering directory '/<>' dh_auto_build -- VERBOSE=1 cd obj-x86_64-linux-gnu && make -j4 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1 make[2]: Entering directory '/<>/obj-x86_64-linux-gnu' /usr/bin/cmake -S/<> -B/<>/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /<>/obj-x86_64-linux-gnu/CMakeFiles /<>/obj-x86_64-linux-gnu//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[3]: Entering directory '/<>/obj-x86_64-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-base.dir/build.make CheMPS2/CMakeFiles/chemps2-base.dir/depend make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/CheMPS2 /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/CheMPS2 /<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-base.dir/DependInfo.cmake --color= make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-base.dir/build.make CheMPS2/CMakeFiles/chemps2-base.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o [ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o [ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASPT2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -c /<>/CheMPS2/CASPT2.cpp cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCF.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -c /<>/CheMPS2/CASSCF.cpp cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -c /<>/CheMPS2/CASSCFdebug.cpp [ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -c /<>/CheMPS2/CASSCFnewtonraphson.cpp [ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -c /<>/CheMPS2/CASSCFpt2.cpp [ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -MF CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -c /<>/CheMPS2/ConjugateGradient.cpp [ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -MF CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -c /<>/CheMPS2/ConvergenceScheme.cpp [ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o -MF CMakeFiles/chemps2-base.dir/Correlations.cpp.o.d -o CMakeFiles/chemps2-base.dir/Correlations.cpp.o -c /<>/CheMPS2/Correlations.cpp [ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -MF CMakeFiles/chemps2-base.dir/Cumulant.cpp.o.d -o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -c /<>/CheMPS2/Cumulant.cpp [ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o -MF CMakeFiles/chemps2-base.dir/Davidson.cpp.o.d -o CMakeFiles/chemps2-base.dir/Davidson.cpp.o -c /<>/CheMPS2/Davidson.cpp [ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o -MF CMakeFiles/chemps2-base.dir/DIIS.cpp.o.d -o CMakeFiles/chemps2-base.dir/DIIS.cpp.o -c /<>/CheMPS2/DIIS.cpp [ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRG.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRG.cpp.o -c /<>/CheMPS2/DMRG.cpp [ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -c /<>/CheMPS2/DMRGfock.cpp [ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -c /<>/CheMPS2/DMRGmpsio.cpp [ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o -c /<>/CheMPS2/DMRGoperators.cpp [ 17%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o -c /<>/CheMPS2/DMRGoperators3RDM.cpp [ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o -c /<>/CheMPS2/DMRGSCFindices.cpp [ 19%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o -c /<>/CheMPS2/DMRGSCFintegrals.cpp [ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o -c /<>/CheMPS2/DMRGSCFmatrix.cpp [ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o -c /<>/CheMPS2/DMRGSCFoptions.cpp [ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o [ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o -c /<>/CheMPS2/DMRGSCFunitary.cpp cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -c /<>/CheMPS2/DMRGSCFrotations.cpp [ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -c /<>/CheMPS2/DMRGSCFwtilde.cpp [ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o -c /<>/CheMPS2/DMRGtechnics.cpp [ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o -MF CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o.d -o CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o -c /<>/CheMPS2/EdmistonRuedenberg.cpp [ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o -MF CMakeFiles/chemps2-base.dir/Excitation.cpp.o.d -o CMakeFiles/chemps2-base.dir/Excitation.cpp.o -c /<>/CheMPS2/Excitation.cpp [ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o -MF CMakeFiles/chemps2-base.dir/FCI.cpp.o.d -o CMakeFiles/chemps2-base.dir/FCI.cpp.o -c /<>/CheMPS2/FCI.cpp [ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o -MF CMakeFiles/chemps2-base.dir/FourIndex.cpp.o.d -o CMakeFiles/chemps2-base.dir/FourIndex.cpp.o -c /<>/CheMPS2/FourIndex.cpp [ 31%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o -MF CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o.d -o CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o -c /<>/CheMPS2/Hamiltonian.cpp [ 32%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o -MF CMakeFiles/chemps2-base.dir/Heff.cpp.o.d -o CMakeFiles/chemps2-base.dir/Heff.cpp.o -c /<>/CheMPS2/Heff.cpp [ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -c /<>/CheMPS2/HeffDiagonal.cpp [ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -c /<>/CheMPS2/HeffDiagrams1.cpp [ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -c /<>/CheMPS2/HeffDiagrams2.cpp [ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o -c /<>/CheMPS2/HeffDiagrams3.cpp [ 38%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o -c /<>/CheMPS2/HeffDiagrams4.cpp [ 39%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o -c /<>/CheMPS2/HeffDiagrams5.cpp [ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o -MF CMakeFiles/chemps2-base.dir/Initialize.cpp.o.d -o CMakeFiles/chemps2-base.dir/Initialize.cpp.o -c /<>/CheMPS2/Initialize.cpp [ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o -MF CMakeFiles/chemps2-base.dir/Irreps.cpp.o.d -o CMakeFiles/chemps2-base.dir/Irreps.cpp.o -c /<>/CheMPS2/Irreps.cpp [ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o -MF CMakeFiles/chemps2-base.dir/Molden.cpp.o.d -o CMakeFiles/chemps2-base.dir/Molden.cpp.o -c /<>/CheMPS2/Molden.cpp [ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o -MF CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o.d -o CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o -c /<>/CheMPS2/PrintLicense.cpp [ 44%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o -MF CMakeFiles/chemps2-base.dir/Problem.cpp.o.d -o CMakeFiles/chemps2-base.dir/Problem.cpp.o -c /<>/CheMPS2/Problem.cpp [ 45%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o -MF CMakeFiles/chemps2-base.dir/Sobject.cpp.o.d -o CMakeFiles/chemps2-base.dir/Sobject.cpp.o -c /<>/CheMPS2/Sobject.cpp [ 46%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o -MF CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o.d -o CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o -c /<>/CheMPS2/SyBookkeeper.cpp [ 47%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o -MF CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o -c /<>/CheMPS2/Tensor3RDM.cpp [ 48%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorF0.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorF0.cpp.o -c /<>/CheMPS2/TensorF0.cpp [ 50%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorF1.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorF1.cpp.o -c /<>/CheMPS2/TensorF1.cpp [ 51%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o -c /<>/CheMPS2/TensorGYZ.cpp [ 52%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorKM.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorKM.cpp.o -c /<>/CheMPS2/TensorKM.cpp [ 53%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorL.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorL.cpp.o -c /<>/CheMPS2/TensorL.cpp [ 54%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorO.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorO.cpp.o -c /<>/CheMPS2/TensorO.cpp [ 55%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o -c /<>/CheMPS2/TensorOperator.cpp [ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorQ.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorQ.cpp.o -c /<>/CheMPS2/TensorQ.cpp [ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorS0.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorS0.cpp.o -c /<>/CheMPS2/TensorS0.cpp [ 58%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorS1.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorS1.cpp.o -c /<>/CheMPS2/TensorS1.cpp [ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorT.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorT.cpp.o -c /<>/CheMPS2/TensorT.cpp [ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorX.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorX.cpp.o -c /<>/CheMPS2/TensorX.cpp [ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o -MF CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o -c /<>/CheMPS2/ThreeDM.cpp [ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -MF CMakeFiles/chemps2-base.dir/TwoDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -c /<>/CheMPS2/TwoDM.cpp [ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -MF CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o.d -o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -c /<>/CheMPS2/TwoIndex.cpp [ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o -MF CMakeFiles/chemps2-base.dir/Wigner.cpp.o.d -o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -c /<>/CheMPS2/Wigner.cpp make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 65%] Built target chemps2-base make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/depend make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/depend make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/CheMPS2 /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/CheMPS2 /<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake --color= make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/CheMPS2 /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/CheMPS2 /<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake --color= make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 66%] Linking CXX shared library libchemps2.so cd /<>/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 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -flto=auto -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" 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CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-static.dir/link.txt --verbose=1 /usr/bin/ar qc libchemps2.a "CMakeFiles/chemps2-base.dir/CASPT2.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCF.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o" "CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o" "CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o" "CMakeFiles/chemps2-base.dir/Correlations.cpp.o" "CMakeFiles/chemps2-base.dir/Cumulant.cpp.o" "CMakeFiles/chemps2-base.dir/Davidson.cpp.o" "CMakeFiles/chemps2-base.dir/DIIS.cpp.o" "CMakeFiles/chemps2-base.dir/DMRG.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o" "CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o" "CMakeFiles/chemps2-base.dir/Excitation.cpp.o" "CMakeFiles/chemps2-base.dir/FCI.cpp.o" "CMakeFiles/chemps2-base.dir/FourIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o" "CMakeFiles/chemps2-base.dir/Heff.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o" "CMakeFiles/chemps2-base.dir/Initialize.cpp.o" "CMakeFiles/chemps2-base.dir/Irreps.cpp.o" "CMakeFiles/chemps2-base.dir/Molden.cpp.o" "CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o" "CMakeFiles/chemps2-base.dir/Problem.cpp.o" "CMakeFiles/chemps2-base.dir/Sobject.cpp.o" "CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o" "CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorKM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorL.cpp.o" "CMakeFiles/chemps2-base.dir/TensorO.cpp.o" "CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o" "CMakeFiles/chemps2-base.dir/TensorQ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorT.cpp.o" "CMakeFiles/chemps2-base.dir/TensorX.cpp.o" "CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Wigner.cpp.o" /usr/bin/ranlib libchemps2.a make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 67%] Built target chemps2-static cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_symlink_library libchemps2.so.3 libchemps2.so.3 libchemps2.so make[4]: Leaving directory '/<>/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/test1.dir/build.make tests/CMakeFiles/test1.dir/depend make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/depend make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/depend make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/CheMPS2 /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/CheMPS2 /<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake --color= cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/tests /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/tests /<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake --color= make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/tests /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/tests /<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/DependInfo.cmake --color= make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/tests /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/tests /<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake --color= make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/build make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 69%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o [ 69%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test2.dir/tests/test2.cpp.o -MF CMakeFiles/test2.dir/tests/test2.cpp.o.d -o CMakeFiles/test2.dir/tests/test2.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test2.cpp cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test1.dir/tests/test1.cpp.o -MF CMakeFiles/test1.dir/tests/test1.cpp.o.d -o CMakeFiles/test1.dir/tests/test1.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test1.cpp [ 70%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -MF CMakeFiles/chemps2-bin.dir/executable.cpp.o.d -o CMakeFiles/chemps2-bin.dir/executable.cpp.o -c /<>/CheMPS2/executable.cpp [ 71%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test3.dir/tests/test3.cpp.o -MF CMakeFiles/test3.dir/tests/test3.cpp.o.d -o CMakeFiles/test3.dir/tests/test3.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test3.cpp [ 72%] Linking CXX executable test2 cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test2.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -flto=auto -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test2.dir/tests/test2.cpp.o -o test2 -Wl,-rpath,/<>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm [ 73%] Linking CXX executable test3 cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -flto=auto -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test3.dir/tests/test3.cpp.o -o test3 -Wl,-rpath,/<>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm [ 75%] Linking CXX executable test1 cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test1.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -flto=auto -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -Wl,-rpath,/<>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 75%] Built target test2 make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/depend make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/tests /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/tests /<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake --color= make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 76%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test4.dir/tests/test4.cpp.o -MF CMakeFiles/test4.dir/tests/test4.cpp.o.d -o CMakeFiles/test4.dir/tests/test4.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test4.cpp [ 76%] Built target test3 make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/depend make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/tests /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/tests /<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake --color= make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 77%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test5.dir/tests/test5.cpp.o -MF CMakeFiles/test5.dir/tests/test5.cpp.o.d -o CMakeFiles/test5.dir/tests/test5.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test5.cpp make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 77%] Built target test1 make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/tests /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/tests /<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake --color= make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 78%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test6.dir/tests/test6.cpp.o -MF CMakeFiles/test6.dir/tests/test6.cpp.o.d -o CMakeFiles/test6.dir/tests/test6.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test6.cpp [ 79%] Linking CXX executable test4 cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test4.dir/link.txt --verbose=1 [ 80%] Linking CXX executable test5 cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test5.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -flto=auto -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test4.dir/tests/test4.cpp.o -o test4 -Wl,-rpath,/<>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -flto=auto -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test5.dir/tests/test5.cpp.o -o test5 -Wl,-rpath,/<>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm [ 81%] Linking CXX executable test6 cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test6.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -flto=auto -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test6.dir/tests/test6.cpp.o -o test6 -Wl,-rpath,/<>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 81%] Built target test4 make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/depend make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/tests /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/tests /<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake --color= make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 82%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test7.dir/tests/test7.cpp.o -MF CMakeFiles/test7.dir/tests/test7.cpp.o.d -o CMakeFiles/test7.dir/tests/test7.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test7.cpp make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 82%] Built target test5 make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/depend make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/tests /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/tests /<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake --color= make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 83%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test8.dir/tests/test8.cpp.o -MF CMakeFiles/test8.dir/tests/test8.cpp.o.d -o CMakeFiles/test8.dir/tests/test8.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test8.cpp make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 83%] Built target test6 make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/depend make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/tests /<>/obj-x86_64-linux-gnu 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/<>/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 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -flto=auto -Wl,-z,relro -Wl,-z,now -rdynamic "CMakeFiles/chemps2-bin.dir/executable.cpp.o" -o chemps2 -Wl,-rpath,/<>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial: libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm [ 86%] Linking CXX executable test8 cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test8.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto 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-Wl,-z,now -rdynamic CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -Wl,-rpath,/<>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm [ 89%] Linking CXX executable test9 cd /<>/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 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -flto=auto -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test9.dir/tests/test9.cpp.o -o test9 -Wl,-rpath,/<>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 89%] Built target test8 make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/depend make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/tests /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/tests /<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake --color= make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 90%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test10.dir/tests/test10.cpp.o -MF CMakeFiles/test10.dir/tests/test10.cpp.o.d -o CMakeFiles/test10.dir/tests/test10.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test10.cpp make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 90%] Built target test7 make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/depend make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/tests /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/tests /<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test11.dir/DependInfo.cmake --color= make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f 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'/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/tests /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/tests /<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake --color= make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 92%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test12.dir/tests/test12.cpp.o -MF CMakeFiles/test12.dir/tests/test12.cpp.o.d -o CMakeFiles/test12.dir/tests/test12.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test12.cpp [ 93%] Linking CXX executable test10 cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test10.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -flto=auto -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -Wl,-rpath,/<>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm [ 94%] Linking CXX executable test12 cd /<>/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 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -flto=auto -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test12.dir/tests/test12.cpp.o -o test12 -Wl,-rpath,/<>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm [ 95%] Linking CXX executable test11 cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test11.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto 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make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 96%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test13.dir/tests/test13.cpp.o -MF CMakeFiles/test13.dir/tests/test13.cpp.o.d -o CMakeFiles/test13.dir/tests/test13.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test13.cpp make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 96%] Built target test12 make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/depend make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<> /<>/tests /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/tests /<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake --color= make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 97%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test14.dir/tests/test14.cpp.o -MF CMakeFiles/test14.dir/tests/test14.cpp.o.d -o CMakeFiles/test14.dir/tests/test14.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test14.cpp make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 97%] Built target test11 make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 97%] Built target chemps2-bin [ 98%] Linking CXX executable test13 cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test13.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -flto=auto -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test13.dir/tests/test13.cpp.o -o test13 -Wl,-rpath,/<>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm [100%] Linking CXX executable test14 cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test14.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -flto=auto -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test14.dir/tests/test14.cpp.o -o test14 -Wl,-rpath,/<>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [100%] Built target test13 make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [100%] Built target test14 make[3]: Leaving directory '/<>/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /<>/obj-x86_64-linux-gnu/CMakeFiles 0 make[2]: Leaving directory '/<>/obj-x86_64-linux-gnu' cd PyCheMPS2 && CPATH=../CheMPS2/include:/usr/include/hdf5/serial python3 setup.py build_ext -L ../obj-x86_64-linux-gnu/CheMPS2 running build_ext cythoning PyCheMPS2.pyx to PyCheMPS2.cpp /usr/lib/python3/dist-packages/Cython/Compiler/Main.py:369: FutureWarning: Cython directive 'language_level' not set, using 2 for now (Py2). This will change in a later release! File: /<>/PyCheMPS2/PyCheMPS2.pyx tree = Parsing.p_module(s, pxd, full_module_name) building 'PyCheMPS2' extension creating build creating build/temp.linux-x86_64-cpython-311 x86_64-linux-gnu-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/lib/python3/dist-packages/numpy/core/include -I/usr/include/python3.11 -c PyCheMPS2.cpp -o build/temp.linux-x86_64-cpython-311/PyCheMPS2.o In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1948, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, from /usr/lib/python3/dist-packages/numpy/core/include/numpy/arrayobject.h:5, from PyCheMPS2.cpp:760: /usr/lib/python3/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 17 | #warning "Using deprecated NumPy API, disable it with " \ | ^~~~~~~ creating build/lib.linux-x86_64-cpython-311 x86_64-linux-gnu-g++ -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-Bsymbolic-functions -g -fwrapv -O2 -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -flto=auto -Wl,-z,relro -Wl,-z,now -g -O2 -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -flto=auto -ffat-lto-objects -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-x86_64-cpython-311/PyCheMPS2.o -L../obj-x86_64-linux-gnu/CheMPS2 -L/usr/lib/x86_64-linux-gnu -lchemps2 -o build/lib.linux-x86_64-cpython-311/PyCheMPS2.cpython-311-x86_64-linux-gnu.so make[1]: Leaving directory '/<>' debian/rules execute_after_dh_auto_build-indep make[1]: Entering directory '/<>' # https://wiki.debian.org/Python/LibraryStyleGuide: info on sphinx-build PYTHONPATH=. http_proxy='127.0.0.1:9' sphinx-build -N -b html \ -c obj-x86_64-linux-gnu/sphinx/ \ -D html_theme=default \ -D mathjax_path="/usr/share/javascript/mathjax/MathJax.js" sphinx/ build-sphinx/html Running Sphinx v5.3.0 WARNING: Invalid configuration value found: 'language = None'. Update your configuration to a valid language code. Falling back to 'en' (English). making output directory... done building [mo]: targets for 0 po files that are out of date building [html]: targets for 13 source files that are out of date updating environment: [new config] 13 added, 0 changed, 0 removed reading sources... [ 7%] caspt2 reading sources... [ 15%] dmrgscf reading sources... [ 23%] dmrgscfcalcs reading sources... [ 30%] handson reading sources... [ 38%] index reading sources... [ 46%] inoutput reading sources... [ 53%] interfaces reading sources... [ 61%] matrixelements reading sources... [ 69%] method reading sources... [ 76%] publications reading sources... [ 84%] resources reading sources... [ 92%] sourcecode reading sources... [100%] symmetry looking for now-outdated files... none found pickling environment... done checking consistency... done preparing documents... done writing output... [ 7%] caspt2 writing output... [ 15%] dmrgscf writing output... [ 23%] dmrgscfcalcs writing output... [ 30%] handson writing output... [ 38%] index writing output... [ 46%] inoutput writing output... [ 53%] interfaces writing output... [ 61%] matrixelements writing output... [ 69%] method writing output... [ 76%] publications writing output... [ 84%] resources writing output... [ 92%] sourcecode writing output... [100%] symmetry generating indices... genindex done writing additional pages... search done copying images... [ 12%] handson_orbitals.png copying images... [ 25%] handson_comparison.png copying images... [ 37%] ExtrapolationN2reorder.png copying images... [ 50%] Comparison.png copying images... [ 62%] ComparisonN2.png copying images... [ 75%] polyene_scaling.png copying images... [ 87%] single_node_h2o.png copying images... [100%] multi_node_h2o.png copying static files... done copying extra files... done dumping search index in English (code: en)... done dumping object inventory... done build succeeded, 1 warning. The HTML pages are in build-sphinx/html. # I know it's ugly, but sphinx splits strings at equality signs: http://svn.python.org/projects/doctools/trunk/sphinx/cmdline.py cd build-sphinx/html && sed -i "s/MathJax.js/MathJax.js?config=TeX-AMS-MML_HTMLorMML/" *.html # Solving the complaints from lintian about jquery.js & underscore.js cd build-sphinx/html && sed -i "s/_static\/jquery.js/\/usr\/share\/javascript\/jquery\/jquery.js/" *.html cd build-sphinx/html && sed -i "s/_static\/underscore.js/\/usr\/share\/javascript\/underscore\/underscore.js/" *.html cd build-sphinx/html/_static && rm jquery*.js underscore*.js make[1]: Leaving directory '/<>' debian/rules override_dh_auto_test make[1]: Entering directory '/<>' cd obj-x86_64-linux-gnu/ && ctest -R "^test3|^test5|^test8" Test project /<>/obj-x86_64-linux-gnu Start 3: test3 1/3 Test #3: test3 ............................ Passed 0.51 sec Start 5: test5 2/3 Test #5: test5 ............................ Passed 1.03 sec Start 8: test8 3/3 Test #8: test8 ............................ Passed 0.85 sec 100% tests passed, 0 tests failed out of 3 Total Test time (real) = 2.39 sec cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-x86_64-cpython-311:.. \ LD_LIBRARY_PATH=../../obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial \ python3 test1.py CheMPS2::Hamiltonian : Reading FCIDUMP file ../../tests/matrixelements/N2.STO3G.FCIDUMP CheMPS2::Hamiltonian : Finished reading FCIDUMP file ../../tests/matrixelements/N2.STO3G.FCIDUMP CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2021 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along 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 -98.0764331888583 Stats: nIt(DAVIDSON) = 19 Energy at sites (7, 8) is -106.851862249296 Stats: nIt(DAVIDSON) = 71 Energy at sites (6, 7) is -106.903820836375 Stats: nIt(DAVIDSON) = 55 Energy at sites (5, 6) is -106.906600234035 Stats: nIt(DAVIDSON) = 38 Energy at sites (4, 5) is -107.632885108436 Stats: nIt(DAVIDSON) = 28 Energy at sites (3, 4) is -107.648016746079 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648016746079 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648016746079 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.284271 seconds *** |--> S.join = 0.000315 seconds *** |--> S.solve = 0.261187 seconds *** |--> S.split = 0.001566 seconds *** |--> Tensor update = 0.020691 seconds *** |--> create = 0.007856 seconds *** |--> destroy = 0.000946 seconds *** |--> disk write = 0.00545 seconds *** |--> disk read = 0.003554 seconds *** |--> calc = 0.002866 seconds *** Disk write bandwidth = 107.515667556623 MB/s *** Disk read bandwidth = 165.431634992042 MB/s *** Minimum energy = -107.648016746079 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648016746079 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648016746079 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648016746079 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648016746079 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.648047217005 Stats: nIt(DAVIDSON) = 7 Energy at sites (5, 6) is -107.648250576315 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250576315 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250576315 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.047921 seconds *** |--> S.join = 0.000348 seconds *** |--> S.solve = 0.026351 seconds *** |--> S.split = 0.000983 seconds *** |--> Tensor update = 0.019804 seconds *** |--> create = 0.007958 seconds *** |--> destroy = 0.000956 seconds *** |--> disk write = 0.004702 seconds *** |--> disk read = 0.003424 seconds *** |--> calc = 0.002747 seconds *** Disk write bandwidth = 125.04126558097 MB/s *** Disk read bandwidth = 171.13329094147 MB/s *** Minimum energy = -107.648250576315 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.648250576315 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.648250576315 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250576315 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250576315 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.648250576315 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.648250873454 Stats: nIt(DAVIDSON) = 4 Energy at sites (3, 4) is -107.648250972637 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250972637 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250972637 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.039187 seconds *** |--> S.join = 0.000383 seconds *** |--> S.solve = 0.017145 seconds *** |--> S.split = 0.001026 seconds *** |--> Tensor update = 0.020206 seconds *** |--> create = 0.008085 seconds *** |--> destroy = 0.001005 seconds *** |--> disk write = 0.004745 seconds *** |--> disk read = 0.003573 seconds *** |--> calc = 0.002785 seconds *** Disk write bandwidth = 123.490071271569 MB/s *** Disk read bandwidth = 164.551925765944 MB/s *** Minimum energy = -107.648250972637 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250972637 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250972637 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250972637 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250972637 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.648250972714 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.648250973999 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250973999 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250973999 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.034826 seconds *** |--> S.join = 0.000336 seconds *** |--> S.solve = 0.012488 seconds *** |--> S.split = 0.001008 seconds *** |--> Tensor update = 0.020552 seconds *** |--> create = 0.008224 seconds *** |--> destroy = 0.001016 seconds *** |--> disk write = 0.004896 seconds *** |--> disk read = 0.003558 seconds *** |--> calc = 0.002846 seconds *** Disk write bandwidth = 120.08660759022 MB/s *** Disk read bandwidth = 164.688136083079 MB/s *** Minimum energy = -107.648250973999 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 3.97684260633469e-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 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 6 Energy at sites (8, 9) is -107.648250973999 Stats: nIt(DAVIDSON) = 8 Energy at sites (7, 8) is -107.648250974 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.648250974002 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250974002 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.648250974005 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250974013 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 0.077785 seconds *** |--> S.join = 0.000372 seconds *** |--> S.solve = 0.053837 seconds *** |--> S.split = 0.001196 seconds *** |--> Tensor update = 0.021906 seconds *** |--> create = 0.008129 seconds *** |--> destroy = 0.001431 seconds *** |--> disk write = 0.005435 seconds *** |--> disk read = 0.004 seconds *** |--> calc = 0.002892 seconds *** Disk write bandwidth = 107.812398929824 MB/s *** Disk read bandwidth = 146.98600769043 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250974013 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.648250974013 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250974013 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.0516080000000001 seconds *** |--> S.join = 0.000366 seconds *** |--> S.solve = 0.028517 seconds *** |--> S.split = 0.001051 seconds *** |--> Tensor update = 0.021201 seconds *** |--> create = 0.0081 seconds *** |--> destroy = 0.001024 seconds *** |--> disk write = 0.005551 seconds *** |--> disk read = 0.003723 seconds *** |--> calc = 0.002793 seconds *** Disk write bandwidth = 105.916777294491 MB/s *** Disk read bandwidth = 157.389306522588 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.4352963262354e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** The total number of reduced MPS variables = 1685 *** Minimum energy encountered during all instructions = -107.648250974014 *** Minimum energy encountered during the last sweep = -107.648250974014 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974013 NOON of irrep Ag = [ 1.99999530444258 , 1.99487994123549 , 1.98267954073896 ]. NOON of irrep B2g = [ 0.0748715523327762 ]. NOON of irrep B3g = [ 0.0748715523209348 ]. NOON of irrep B1u = [ 1.99999681839219 , 1.98658242708169 , 0.0188079712022607 ]. NOON of irrep B2u = [ 1.93365744609422 ]. NOON of irrep B3u = [ 1.93365744615889 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009430215577 , 0.0515866784025517 , 0.0764971080651411 , 0.257716818998073 , 0.257716818975995 , 8.47155301418699e-05 , 0.0462800405313881 , 0.100736303316366 , 0.24150601977804 , 0.241506019651844 ]. Idistance(0) = 1.30939331255126 Idistance(1) = 5.4240299970029 Idistance(2) = 26.7355488136717 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.052479 seconds *** |--> MPS gauge change = 0.000525 seconds *** |--> Diagram calc = 0.003594 seconds *** |--> Tensor update = 0.04736 seconds *** |--> create = 0.018057 seconds *** |--> destroy = 0.001823 seconds *** |--> disk write = 0.011548 seconds *** |--> disk read = 0.008682 seconds *** |--> calc = 0.007193 seconds *** Disk write bandwidth = 103.102533058349 MB/s *** Disk read bandwidth = 137.137531877196 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1824 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.0625 MB memory. FCI::matvec : Wall time = 0.004649 seconds FCI::matvec : Wall time = 0.004576 seconds FCI::matvec : Wall time = 0.004555 seconds FCI::matvec : Wall time = 0.004639 seconds FCI::matvec : Wall time = 0.004515 seconds FCI::matvec : Wall time = 0.004606 seconds FCI::matvec : Wall time = 0.004856 seconds FCI::matvec : Wall time = 0.005144 seconds FCI::matvec : Wall time = 0.005531 seconds FCI::matvec : Wall time = 0.004942 seconds FCI::matvec : Wall time = 0.004615 seconds FCI::matvec : Wall time = 0.004553 seconds FCI::matvec : Wall time = 0.004416 seconds FCI::matvec : Wall time = 0.004645 seconds FCI::matvec : Wall time = 0.004561 seconds FCI::matvec : Wall time = 0.004569 seconds FCI::matvec : Wall time = 0.004514 seconds FCI::matvec : Wall time = 0.004545 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974013 FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = 3.72255668621496e-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 Copyright (C) 2013-2021 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 18 Energy at sites (8, 9) is -103.887912114878 Stats: nIt(DAVIDSON) = 59 Energy at sites (7, 8) is -106.322852744274 Stats: nIt(DAVIDSON) = 44 Energy at sites (6, 7) is -106.403573047057 Stats: nIt(DAVIDSON) = 61 Energy at sites (5, 6) is -107.317905580525 Stats: nIt(DAVIDSON) = 47 Energy at sites (4, 5) is -107.325607241599 Stats: nIt(DAVIDSON) = 24 Energy at sites (3, 4) is -107.328763378427 Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.328765097404 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328765097404 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.415689 seconds *** |--> S.join = 0.000431 seconds *** |--> S.solve = 0.387903 seconds *** |--> S.split = 0.002622 seconds *** |--> Tensor update = 0.024479 seconds *** |--> create = 0.009464 seconds *** |--> destroy = 0.001003 seconds *** |--> disk write = 0.005948 seconds *** |--> disk read = 0.003897 seconds *** |--> calc = 0.004151 seconds *** Disk write bandwidth = 142.035263051262 MB/s *** Disk read bandwidth = 215.858809911871 MB/s *** Minimum energy = -107.328765097404 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328765097404 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328765097404 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328765097404 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.328765099595 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.328767198688 Stats: nIt(DAVIDSON) = 7 Energy at sites (5, 6) is -107.328768892116 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768892116 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768892116 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.060299 seconds *** |--> S.join = 0.000421 seconds *** |--> S.solve = 0.035677 seconds *** |--> S.split = 0.001506 seconds *** |--> Tensor update = 0.022495 seconds *** |--> create = 0.009197 seconds *** |--> destroy = 0.000892 seconds *** |--> disk write = 0.004938 seconds *** |--> disk read = 0.003605 seconds *** |--> calc = 0.003848 seconds *** Disk write bandwidth = 170.352730301045 MB/s *** Disk read bandwidth = 234.348334155036 MB/s *** Minimum energy = -107.328768892116 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.328768892116 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.328768892116 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768892116 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768892116 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768892116 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.328768892484 Stats: nIt(DAVIDSON) = 3 Energy at sites (3, 4) is -107.328768897981 Stats: nIt(DAVIDSON) = 2 Energy at sites (2, 3) is -107.328768897994 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768897994 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.040241 seconds *** |--> S.join = 0.000487 seconds *** |--> S.solve = 0.015287 seconds *** |--> S.split = 0.001221 seconds *** |--> Tensor update = 0.022874 seconds *** |--> create = 0.009215 seconds *** |--> destroy = 0.000978 seconds *** |--> disk write = 0.004993 seconds *** |--> disk read = 0.003672 seconds *** |--> calc = 0.003999 seconds *** Disk write bandwidth = 169.20203177026 MB/s *** Disk read bandwidth = 229.085452676079 MB/s *** Minimum energy = -107.328768897994 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328768897994 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768897994 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768897994 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.328768897994 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898021 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.036759 seconds *** |--> S.join = 0.00043 seconds *** |--> S.solve = 0.011815 seconds *** |--> S.split = 0.00137 seconds *** |--> Tensor update = 0.022765 seconds *** |--> create = 0.009428 seconds *** |--> destroy = 0.000948 seconds *** |--> disk write = 0.004688 seconds *** |--> disk read = 0.003665 seconds *** |--> calc = 0.004028 seconds *** Disk write bandwidth = 179.437240236041 MB/s *** Disk read bandwidth = 230.511799353044 MB/s *** Minimum energy = -107.328768898021 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 5.90557647228707e-09 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 2280 *** Minimum energy encountered during all instructions = -107.328768898021 *** Minimum energy encountered during the last sweep = -107.328768898021 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 Energy at sites (8, 9) is -107.328768898023 Stats: nIt(DAVIDSON) = 10 Energy at sites (7, 8) is -107.328768898027 Stats: nIt(DAVIDSON) = 14 Energy at sites (6, 7) is -107.328768898032 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.328768898032 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.328768898032 Stats: nIt(DAVIDSON) = 15 Energy at sites (3, 4) is -107.328768898032 Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 0.133899 seconds *** |--> S.join = 0.000437 seconds *** |--> S.solve = 0.106054 seconds *** |--> S.split = 0.001611 seconds *** |--> Tensor update = 0.025347 seconds *** |--> create = 0.010067 seconds *** |--> destroy = 0.000989 seconds *** |--> disk write = 0.006378 seconds *** |--> disk read = 0.003718 seconds *** |--> calc = 0.004185 seconds *** Disk write bandwidth = 132.459351619458 MB/s *** Disk read bandwidth = 226.251151755396 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328768898033 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 Energy at sites (3, 4) is -107.328768898033 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.328768898033 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898033 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.06916 seconds *** |--> S.join = 0.000466 seconds *** |--> S.solve = 0.044044 seconds *** |--> S.split = 0.001471 seconds *** |--> Tensor update = 0.02278 seconds *** |--> create = 0.009277 seconds *** |--> destroy = 0.000945 seconds *** |--> disk write = 0.005006 seconds *** |--> disk read = 0.003515 seconds *** |--> calc = 0.004021 seconds *** Disk write bandwidth = 168.038709993321 MB/s *** Disk read bandwidth = 240.348718244355 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.15676357381744e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** The total number of reduced MPS variables = 2280 *** Minimum energy encountered during all instructions = -107.328768898033 *** Minimum energy encountered during the last sweep = -107.328768898033 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898033 NOON of irrep Ag = [ 1.99999672241052 , 1.99571463015736 , 1.98497373603799 ]. NOON of irrep B2g = [ 0.538989905121381 ]. NOON of irrep B3g = [ 0.538989904956403 ]. NOON of irrep B1u = [ 1.99999702947248 , 1.99149890562573 , 0.0194690668379975 ]. NOON of irrep B2u = [ 1.46518504977308 ]. NOON of irrep B3u = [ 1.46518504960707 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862741389786 , 0.0587089374163932 , 0.0554792809940411 , 1.11957630007846 , 1.11957629998966 , 8.52797482041713e-05 , 0.0421718621310671 , 0.105000352895292 , 1.11261995848152 , 1.11261995857174 ]. Idistance(0) = 4.60188108185739 Idistance(1) = 17.7825010795214 Idistance(2) = 85.6947708206446 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.058374 seconds *** |--> MPS gauge change = 0.000644 seconds *** |--> Diagram calc = 0.00431400000000001 seconds *** |--> Tensor update = 0.052434 seconds *** |--> create = 0.021254 seconds *** |--> destroy = 0.001982 seconds *** |--> disk write = 0.010326 seconds *** |--> disk read = 0.008463 seconds *** |--> calc = 0.010361 seconds *** Disk write bandwidth = 165.886503075898 MB/s *** Disk read bandwidth = 202.403879329046 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1160 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.0751953125 MB memory. FCI::matvec : Wall time = 0.005121 seconds FCI::matvec : Wall time = 0.004948 seconds FCI::matvec : Wall time = 0.004993 seconds FCI::matvec : Wall time = 0.005091 seconds FCI::matvec : Wall time = 0.004984 seconds FCI::matvec : Wall time = 0.005057 seconds FCI::matvec : Wall time = 0.004969 seconds FCI::matvec : Wall time = 0.005151 seconds FCI::matvec : Wall time = 0.004959 seconds FCI::matvec : Wall time = 0.005009 seconds FCI::matvec : Wall time = 0.004398 seconds FCI::matvec : Wall time = 0.004394 seconds FCI::matvec : Wall time = 0.004388 seconds FCI::matvec : Wall time = 0.004448 seconds FCI::matvec : Wall time = 0.004456 seconds FCI::matvec : Wall time = 0.004867 seconds FCI::matvec : Wall time = 0.004907 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 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2021 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 12 Energy at sites (8, 9) is -102.870551593333 Stats: nIt(DAVIDSON) = 27 Energy at sites (7, 8) is -106.983837666365 Stats: nIt(DAVIDSON) = 24 Energy at sites (6, 7) is -106.994480176902 Stats: nIt(DAVIDSON) = 15 Energy at sites (5, 6) is -106.994547877029 Stats: nIt(DAVIDSON) = 21 Energy at sites (4, 5) is -106.996772691062 Stats: nIt(DAVIDSON) = 18 Energy at sites (3, 4) is -106.999074645047 Stats: nIt(DAVIDSON) = 14 Energy at sites (2, 3) is -107.007870725782 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007870725782 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.101421 seconds *** |--> S.join = 0.00027 seconds *** |--> S.solve = 0.080546 seconds *** |--> S.split = 0.001523 seconds *** |--> Tensor update = 0.018648 seconds *** |--> create = 0.007108 seconds *** |--> destroy = 0.001487 seconds *** |--> disk write = 0.004607 seconds *** |--> disk read = 0.003456 seconds *** |--> calc = 0.001972 seconds *** Disk write bandwidth = 42.3897572859575 MB/s *** Disk read bandwidth = 56.1939345465766 MB/s *** Minimum energy = -107.007870725782 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007870725782 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007870725782 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007870725782 Stats: nIt(DAVIDSON) = 6 Energy at sites (3, 4) is -107.007871201553 Stats: nIt(DAVIDSON) = 10 Energy at sites (4, 5) is -107.007874735864 Stats: nIt(DAVIDSON) = 10 Energy at sites (5, 6) is -107.007920344322 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -107.007920344538 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920344538 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.047007 seconds *** |--> S.join = 0.0003 seconds *** |--> S.solve = 0.024237 seconds *** |--> S.split = 0.000983 seconds *** |--> Tensor update = 0.02101 seconds *** |--> create = 0.007272 seconds *** |--> destroy = 0.001193 seconds *** |--> disk write = 0.00456 seconds *** |--> disk read = 0.003799 seconds *** |--> calc = 0.00417 seconds *** Disk write bandwidth = 42.5890872353002 MB/s *** Disk read bandwidth = 51.405530880865 MB/s *** Minimum energy = -107.007920344538 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.007920344538 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.007920344538 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920344538 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920344538 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.007920344538 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.007920365357 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.00792041557 Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -107.007920596959 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920596959 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.031827 seconds *** |--> S.join = 0.00029 seconds *** |--> S.solve = 0.010185 seconds *** |--> S.split = 0.000863 seconds *** |--> Tensor update = 0.020043 seconds *** |--> create = 0.008236 seconds *** |--> destroy = 0.001087 seconds *** |--> disk write = 0.004802 seconds *** |--> disk read = 0.003948 seconds *** |--> calc = 0.00195 seconds *** Disk write bandwidth = 40.6683906323212 MB/s *** Disk read bandwidth = 49.1910430073376 MB/s *** Minimum energy = -107.007920596959 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007920596959 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920596959 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007920596959 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.007920597061 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.007920597091 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.007920599403 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920599403 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599403 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.02882 seconds *** |--> S.join = 0.000268 seconds *** |--> S.solve = 0.009147 seconds *** |--> S.split = 0.000856 seconds *** |--> Tensor update = 0.018136 seconds *** |--> create = 0.007204 seconds *** |--> destroy = 0.001024 seconds *** |--> disk write = 0.004299 seconds *** |--> disk read = 0.003511 seconds *** |--> calc = 0.002087 seconds *** Disk write bandwidth = 45.1747471023421 MB/s *** Disk read bandwidth = 55.6222192584467 MB/s *** Minimum energy = -107.007920599403 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.5486511390227e-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 = -107.007920599403 *** Minimum energy encountered during the last sweep = -107.007920599403 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 Energy at sites (8, 9) is -107.007920599403 Stats: nIt(DAVIDSON) = 8 Energy at sites (7, 8) is -107.007920599405 Stats: nIt(DAVIDSON) = 13 Energy at sites (6, 7) is -107.007920599407 Stats: nIt(DAVIDSON) = 12 Energy at sites (5, 6) is -107.007920599407 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.007920599407 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.007920599407 Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920599438 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 0.068597 seconds *** |--> S.join = 0.000292 seconds *** |--> S.solve = 0.047695 seconds *** |--> S.split = 0.001068 seconds *** |--> Tensor update = 0.019074 seconds *** |--> create = 0.007185 seconds *** |--> destroy = 0.001086 seconds *** |--> disk write = 0.004983 seconds *** |--> disk read = 0.003807 seconds *** |--> calc = 0.002002 seconds *** Disk write bandwidth = 39.1911723492688 MB/s *** Disk read bandwidth = 51.0129334890908 MB/s *** Minimum energy = -107.007920599438 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.007920599438 Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.007920599438 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.007920599438 Stats: nIt(DAVIDSON) = 4 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 = 0.050455 seconds *** |--> S.join = 0.00027 seconds *** |--> S.solve = 0.030776 seconds *** |--> S.split = 0.000736 seconds *** |--> Tensor update = 0.018241 seconds *** |--> create = 0.007178 seconds *** |--> destroy = 0.000952 seconds *** |--> disk write = 0.004629 seconds *** |--> disk read = 0.00341 seconds *** |--> calc = 0.00204 seconds *** Disk write bandwidth = 41.9542531417085 MB/s *** Disk read bandwidth = 57.2696808845766 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 3.52997631125618e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** The total number of reduced MPS variables = 631 *** Minimum energy encountered during all instructions = -107.007920599439 *** Minimum energy encountered during the last sweep = -107.007920599439 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439 NOON of irrep Ag = [ 1.99999761728595 , 1.9981745866787 , 1.99099529650768 ]. NOON of irrep B2g = [ 0.999157310985144 ]. NOON of irrep B3g = [ 0.99915731098438 ]. NOON of irrep B1u = [ 1.99999763398151 , 1.99356772579418 , 0.0151843205516421 ]. NOON of irrep B2u = [ 1.0018840986168 ]. NOON of irrep B3u = [ 1.00188409861402 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624931820398e-05 , 0.0439795108231859 , 0.0191227063982755 , 0.710073263176294 , 0.710073263198086 , 0.000114194275413223 , 0.0501988280339031 , 0.0847680577966438 , 0.709393186379371 , 0.709393186358741 ]. Idistance(0) = 1.96740724160109 Idistance(1) = 7.24682977140245 Idistance(2) = 34.6048709997548 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.045202 seconds *** |--> MPS gauge change = 0.000398 seconds *** |--> Diagram calc = 0.002807 seconds *** |--> Tensor update = 0.041011 seconds *** |--> create = 0.016425 seconds *** |--> destroy = 0.001673 seconds *** |--> disk write = 0.009768 seconds *** |--> disk read = 0.008018 seconds *** |--> calc = 0.005075 seconds *** Disk write bandwidth = 41.8921555777635 MB/s *** Disk read bandwidth = 51.035492103217 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 276 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.01904296875 MB memory. FCI::matvec : Wall time = 0.002788 seconds FCI::matvec : Wall time = 0.00282 seconds FCI::matvec : Wall time = 0.002678 seconds FCI::matvec : Wall time = 0.002517 seconds FCI::matvec : Wall time = 0.002548 seconds FCI::matvec : Wall time = 0.002497 seconds FCI::matvec : Wall time = 0.002573 seconds FCI::matvec : Wall time = 0.002584 seconds FCI::matvec : Wall time = 0.002513 seconds FCI::matvec : Wall time = 0.002486 seconds FCI::matvec : Wall time = 0.002431 seconds FCI::matvec : Wall time = 0.002451 seconds FCI::GSDavidson : Converged ground state energy = -107.007920599439 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000002 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 Copyright (C) 2013-2021 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 11 Energy at sites (8, 9) is -104.984383303172 Stats: nIt(DAVIDSON) = 20 Energy at sites (7, 8) is -105.804429169614 Stats: nIt(DAVIDSON) = 45 Energy at sites (6, 7) is -105.903376628216 Stats: nIt(DAVIDSON) = 59 Energy at sites (5, 6) is -105.937042632362 Stats: nIt(DAVIDSON) = 37 Energy at sites (4, 5) is -106.141502612588 Stats: nIt(DAVIDSON) = 26 Energy at sites (3, 4) is -106.160278005222 Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -106.160278023796 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.160278023796 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.174005 seconds *** |--> S.join = 0.00024 seconds *** |--> S.solve = 0.153031 seconds *** |--> S.split = 0.001595 seconds *** |--> Tensor update = 0.018901 seconds *** |--> create = 0.007256 seconds *** |--> destroy = 0.000992 seconds *** |--> disk write = 0.004993 seconds *** |--> disk read = 0.003697 seconds *** |--> calc = 0.00195 seconds *** Disk write bandwidth = 40.42830372678 MB/s *** Disk read bandwidth = 54.3075862819516 MB/s *** Minimum energy = -106.160278023796 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.160278023797 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.160278023796 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.160278023796 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.160278023796 Stats: nIt(DAVIDSON) = 13 Energy at sites (4, 5) is -106.168335365857 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -106.191317855365 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.191317855534 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191317855534 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.049269 seconds *** |--> S.join = 0.000603 seconds *** |--> S.solve = 0.028218 seconds *** |--> S.split = 0.000844 seconds *** |--> Tensor update = 0.019144 seconds *** |--> create = 0.007418 seconds *** |--> destroy = 0.001144 seconds *** |--> disk write = 0.004989 seconds *** |--> disk read = 0.003646 seconds *** |--> calc = 0.001934 seconds *** Disk write bandwidth = 40.2435651401834 MB/s *** Disk read bandwidth = 55.3643775391696 MB/s *** Minimum energy = -106.191317855534 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 106.191317855534 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191317855534 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191317855534 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191317855534 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.191317855533 Stats: nIt(DAVIDSON) = 10 Energy at sites (4, 5) is -106.191412079207 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -106.191461894361 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -106.19146189475 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.19146189475 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.037065 seconds *** |--> S.join = 0.000295 seconds *** |--> S.solve = 0.016282 seconds *** |--> S.split = 0.000764 seconds *** |--> Tensor update = 0.019278 seconds *** |--> create = 0.00757 seconds *** |--> destroy = 0.001113 seconds *** |--> disk write = 0.004939 seconds *** |--> disk read = 0.003698 seconds *** |--> calc = 0.001946 seconds *** Disk write bandwidth = 40.8703220303326 MB/s *** Disk read bandwidth = 54.2929006177326 MB/s *** Minimum energy = -106.19146189475 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.19146189475 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.19146189475 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.19146189475 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.19146189475 Stats: nIt(DAVIDSON) = 4 Energy at sites (4, 5) is -106.191461919507 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -106.191466287003 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466287003 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466287003 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.036354 seconds *** |--> S.join = 0.000291 seconds *** |--> S.solve = 0.015907 seconds *** |--> S.split = 0.000808 seconds *** |--> Tensor update = 0.018856 seconds *** |--> create = 0.007381 seconds *** |--> destroy = 0.000985 seconds *** |--> disk write = 0.004904 seconds *** |--> disk read = 0.003666 seconds *** |--> calc = 0.001906 seconds *** Disk write bandwidth = 40.941098385884 MB/s *** Disk read bandwidth = 55.0623351085141 MB/s *** Minimum energy = -106.191466287003 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 0.000148431469682464 ****************************************************************** *** 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 = -106.191466287003 *** Minimum energy encountered during the last sweep = -106.191466287003 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 9 Energy at sites (8, 9) is -106.191466287008 Stats: nIt(DAVIDSON) = 9 Energy at sites (7, 8) is -106.191466287011 Stats: nIt(DAVIDSON) = 11 Energy at sites (6, 7) is -106.191466287016 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -106.191466287021 Stats: nIt(DAVIDSON) = 18 Energy at sites (4, 5) is -106.191466525222 Stats: nIt(DAVIDSON) = 16 Energy at sites (3, 4) is -106.191466555793 Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -106.191466555798 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466555798 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 0.073401 seconds *** |--> S.join = 0.000295 seconds *** |--> S.solve = 0.052442 seconds *** |--> S.split = 0.000891 seconds *** |--> Tensor update = 0.019268 seconds *** |--> create = 0.007342 seconds *** |--> destroy = 0.000932 seconds *** |--> disk write = 0.005249 seconds *** |--> disk read = 0.003824 seconds *** |--> calc = 0.001905 seconds *** Disk write bandwidth = 38.4565670618808 MB/s *** Disk read bandwidth = 52.5039609007257 MB/s *** Minimum energy = -106.191466555798 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466555798 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466555798 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466555798 Stats: nIt(DAVIDSON) = 6 Energy at sites (3, 4) is -106.191466555798 Stats: nIt(DAVIDSON) = 13 Energy at sites (4, 5) is -106.191466555807 Stats: nIt(DAVIDSON) = 19 Energy at sites (5, 6) is -106.191466574514 Stats: nIt(DAVIDSON) = 4 Energy at sites (6, 7) is -106.191466574514 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466574514 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.057478 seconds *** |--> S.join = 0.000283 seconds *** |--> S.solve = 0.037249 seconds *** |--> S.split = 0.000797 seconds *** |--> Tensor update = 0.018678 seconds *** |--> create = 0.007353 seconds *** |--> destroy = 0.000953 seconds *** |--> disk write = 0.004843 seconds *** |--> disk read = 0.003601 seconds *** |--> calc = 0.001915 seconds *** Disk write bandwidth = 41.4567719356546 MB/s *** Disk read bandwidth = 56.0562400743717 MB/s *** Minimum energy = -106.191466574514 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.87511170427024e-07 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466574514 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466574514 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466574514 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -106.191466574514 Stats: nIt(DAVIDSON) = 15 Energy at sites (4, 5) is -106.191466575762 Stats: nIt(DAVIDSON) = 15 Energy at sites (3, 4) is -106.191466575847 Stats: nIt(DAVIDSON) = 5 Energy at sites (2, 3) is -106.191466575847 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575847 ****************************************************************** *** Information on left sweep 1 of instruction 1: *** Elapsed wall time = 0.048366 seconds *** |--> S.join = 0.000272 seconds *** |--> S.solve = 0.026488 seconds *** |--> S.split = 0.000826 seconds *** |--> Tensor update = 0.020271 seconds *** |--> create = 0.007807 seconds *** |--> destroy = 0.001088 seconds *** |--> disk write = 0.005312 seconds *** |--> disk read = 0.003937 seconds *** |--> calc = 0.002112 seconds *** Disk write bandwidth = 38.0004744931876 MB/s *** Disk read bandwidth = 50.9969892010097 MB/s *** Minimum energy = -106.191466575847 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466575847 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575847 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466575847 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -106.191466575847 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -106.191466575847 Stats: nIt(DAVIDSON) = 15 Energy at sites (5, 6) is -106.191466575943 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -106.191466575943 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575943 ****************************************************************** *** Information on right sweep 1 of instruction 1: *** Elapsed wall time = 0.047707 seconds *** |--> S.join = 0.000256 seconds *** |--> S.solve = 0.027327 seconds *** |--> S.split = 0.001 seconds *** |--> Tensor update = 0.018679 seconds *** |--> create = 0.007331 seconds *** |--> destroy = 0.000933 seconds *** |--> disk write = 0.004823 seconds *** |--> disk read = 0.00365 seconds *** |--> calc = 0.001923 seconds *** Disk write bandwidth = 41.6286847365488 MB/s *** Disk read bandwidth = 55.3037042487158 MB/s *** Minimum energy = -106.191466575943 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.4281908988778e-09 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575943 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575943 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575943 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.191466575943 Stats: nIt(DAVIDSON) = 13 Energy at sites (4, 5) is -106.191466575949 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -106.19146657595 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.19146657595 ****************************************************************** *** Information on left sweep 2 of instruction 1: *** Elapsed wall time = 0.041162 seconds *** |--> S.join = 0.000266 seconds *** |--> S.solve = 0.019678 seconds *** |--> S.split = 0.001129 seconds *** |--> Tensor update = 0.019604 seconds *** |--> create = 0.007506 seconds *** |--> destroy = 0.001038 seconds *** |--> disk write = 0.005109 seconds *** |--> disk read = 0.003824 seconds *** |--> calc = 0.002107 seconds *** Disk write bandwidth = 39.5103778641246 MB/s *** Disk read bandwidth = 52.5039609007257 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) = 6 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 = 0.041317 seconds *** |--> S.join = 0.00027 seconds *** |--> S.solve = 0.020157 seconds *** |--> S.split = 0.001036 seconds *** |--> Tensor update = 0.019369 seconds *** |--> create = 0.007717 seconds *** |--> destroy = 0.001061 seconds *** |--> disk write = 0.004996 seconds *** |--> disk read = 0.003619 seconds *** |--> calc = 0.001961 seconds *** Disk write bandwidth = 40.1871790401071 MB/s *** Disk read bandwidth = 55.7774303696636 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 7.53175299905706e-12 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** The total number of reduced MPS variables = 621 *** Minimum energy encountered during all instructions = -106.19146657595 *** Minimum energy encountered during the last sweep = -106.19146657595 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595 NOON of irrep Ag = [ 1.99999399659687 , 1.9936632562075 , 1.87190049045021 ]. NOON of irrep B2g = [ 0.584814240042971 ]. NOON of irrep B3g = [ 0.584814326039461 ]. NOON of irrep B1u = [ 1.99999783389179 , 1.12096429200016 , 1.00219410707937 ]. NOON of irrep B2u = [ 1.42082868297941 ]. NOON of irrep B3u = [ 1.42082877471226 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128221947244e-05 , 0.0722109544155121 , 0.460791912885407 , 1.13075777868021 , 1.13075781310313 , 6.17502952791937e-05 , 0.977139015066937 , 0.735936483413916 , 1.12042725546412 , 1.1204272097687 ]. Idistance(0) = 5.6523439389423 Idistance(1) = 19.838295481339 Idistance(2) = 88.8195388868083 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.047131 seconds *** |--> MPS gauge change = 0.000431 seconds *** |--> Diagram calc = 0.002884 seconds *** |--> Tensor update = 0.042631 seconds *** |--> create = 0.016922 seconds *** |--> destroy = 0.001985 seconds *** |--> disk write = 0.010047 seconds *** |--> disk read = 0.008348 seconds *** |--> calc = 0.005273 seconds *** Disk write bandwidth = 42.0364679074755 MB/s *** Disk read bandwidth = 50.5918055901301 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 276 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.01904296875 MB memory. FCI::matvec : Wall time = 0.002714 seconds FCI::matvec : Wall time = 0.002611 seconds FCI::matvec : Wall time = 0.002562 seconds FCI::matvec : Wall time = 0.002524 seconds FCI::matvec : Wall time = 0.002484 seconds FCI::matvec : Wall time = 0.002472 seconds FCI::matvec : Wall time = 0.002412 seconds FCI::matvec : Wall time = 0.002444 seconds FCI::matvec : Wall time = 0.002427 seconds FCI::matvec : Wall time = 0.002483 seconds FCI::matvec : Wall time = 0.002427 seconds FCI::matvec : Wall time = 0.002481 seconds FCI::matvec : Wall time = 0.00255 seconds FCI::matvec : Wall time = 0.002509 seconds FCI::matvec : Wall time = 0.00241 seconds FCI::matvec : Wall time = 0.002424 seconds FCI::matvec : Wall time = 0.002432 seconds FCI::matvec : Wall time = 0.002398 seconds FCI::GSDavidson : Converged ground state energy = -106.19146657595 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6 and intended S(S+1) = 6 Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2021 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 16 Energy at sites (8, 9) is -103.382806609676 Stats: nIt(DAVIDSON) = 52 Energy at sites (7, 8) is -106.580432601121 Stats: nIt(DAVIDSON) = 30 Energy at sites (6, 7) is -106.778727586215 Stats: nIt(DAVIDSON) = 84 Energy at sites (5, 6) is -106.851790735486 Stats: nIt(DAVIDSON) = 41 Energy at sites (4, 5) is -107.339712804534 Stats: nIt(DAVIDSON) = 15 Energy at sites (3, 4) is -107.339832692269 Stats: nIt(DAVIDSON) = 7 Energy at sites (2, 3) is -107.339833808106 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.339833808106 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.441343 seconds *** |--> S.join = 0.000414 seconds *** |--> S.solve = 0.415329 seconds *** |--> S.split = 0.001623 seconds *** |--> Tensor update = 0.023435 seconds *** |--> create = 0.009308 seconds *** |--> destroy = 0.000952 seconds *** |--> disk write = 0.005374 seconds *** |--> disk read = 0.003672 seconds *** |--> calc = 0.004117 seconds *** Disk write bandwidth = 152.360740806429 MB/s *** Disk read bandwidth = 221.994188096788 MB/s *** Minimum energy = -107.339833808106 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.339833808106 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.339833808106 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.339833808106 Stats: nIt(DAVIDSON) = 3 Energy at sites (3, 4) is -107.339833809507 Stats: nIt(DAVIDSON) = 5 Energy at sites (4, 5) is -107.339833861028 Stats: nIt(DAVIDSON) = 16 Energy at sites (5, 6) is -107.346312442747 Stats: nIt(DAVIDSON) = 5 Energy at sites (6, 7) is -107.34631735017 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.34631735017 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.095634 seconds *** |--> S.join = 0.000466 seconds *** |--> S.solve = 0.069438 seconds *** |--> S.split = 0.001286 seconds *** |--> Tensor update = 0.023982 seconds *** |--> create = 0.009888 seconds *** |--> destroy = 0.000948 seconds *** |--> disk write = 0.005277 seconds *** |--> disk read = 0.003742 seconds *** |--> calc = 0.004111 seconds *** Disk write bandwidth = 154.474636856435 MB/s *** Disk read bandwidth = 218.809893397582 MB/s *** Minimum energy = -107.34631735017 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.34631735017 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.34631735017 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.34631735017 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.34631735017 Stats: nIt(DAVIDSON) = 6 Energy at sites (5, 6) is -107.346317354823 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.346325840187 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.346326063936 Stats: nIt(DAVIDSON) = 2 Energy at sites (2, 3) is -107.346326064064 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326064064 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.065935 seconds *** |--> S.join = 0.000517 seconds *** |--> S.solve = 0.038884 seconds *** |--> S.split = 0.001421 seconds *** |--> Tensor update = 0.024599 seconds *** |--> create = 0.009511 seconds *** |--> destroy = 0.001146 seconds *** |--> disk write = 0.005601 seconds *** |--> disk read = 0.004173 seconds *** |--> calc = 0.004155 seconds *** Disk write bandwidth = 146.185792018166 MB/s *** Disk read bandwidth = 195.342118066476 MB/s *** Minimum energy = -107.346326064064 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326064064 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326064064 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326064064 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.346326064064 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.346326064178 Stats: nIt(DAVIDSON) = 5 Energy at sites (5, 6) is -107.34632611368 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -107.34632611433 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.34632611433 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.052852 seconds *** |--> S.join = 0.00045 seconds *** |--> S.solve = 0.026619 seconds *** |--> S.split = 0.001282 seconds *** |--> Tensor update = 0.024019 seconds *** |--> create = 0.009461 seconds *** |--> destroy = 0.001075 seconds *** |--> disk write = 0.005385 seconds *** |--> disk read = 0.003839 seconds *** |--> calc = 0.004242 seconds *** Disk write bandwidth = 151.376538289955 MB/s *** Disk read bandwidth = 213.28122456206 MB/s *** Minimum energy = -107.34632611433 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 8.76415938932951e-06 ****************************************************************** *** 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 = -107.34632611433 *** Minimum energy encountered during the last sweep = -107.34632611433 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 Energy at sites (8, 9) is -107.346326114332 Stats: nIt(DAVIDSON) = 9 Energy at sites (7, 8) is -107.346326114336 Stats: nIt(DAVIDSON) = 12 Energy at sites (6, 7) is -107.34632611434 Stats: nIt(DAVIDSON) = 18 Energy at sites (5, 6) is -107.346326114352 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.346326115005 Stats: nIt(DAVIDSON) = 14 Energy at sites (3, 4) is -107.346326115011 Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.346326115011 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115011 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 0.148528 seconds *** |--> S.join = 0.000479 seconds *** |--> S.solve = 0.122201 seconds *** |--> S.split = 0.001483 seconds *** |--> Tensor update = 0.023875 seconds *** |--> create = 0.009246 seconds *** |--> destroy = 0.001151 seconds *** |--> disk write = 0.005453 seconds *** |--> disk read = 0.003721 seconds *** |--> calc = 0.004284 seconds *** Disk write bandwidth = 150.153424003989 MB/s *** Disk read bandwidth = 219.070856944748 MB/s *** Minimum energy = -107.346326115011 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326115011 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115011 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115011 Stats: nIt(DAVIDSON) = 8 Energy at sites (3, 4) is -107.346326115011 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.346326115011 Stats: nIt(DAVIDSON) = 16 Energy at sites (5, 6) is -107.346326115024 Stats: nIt(DAVIDSON) = 9 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115024 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.120531 seconds *** |--> S.join = 0.000502 seconds *** |--> S.solve = 0.08293 seconds *** |--> S.split = 0.00129 seconds *** |--> Tensor update = 0.03528 seconds *** |--> create = 0.009454 seconds *** |--> destroy = 0.001018 seconds *** |--> disk write = 0.015653 seconds *** |--> disk read = 0.003789 seconds *** |--> calc = 0.005352 seconds *** Disk write bandwidth = 52.077088014528 MB/s *** Disk read bandwidth = 216.095703640472 MB/s *** Minimum energy = -107.346326115024 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 6.94427626513061e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 10 Energy at sites (5, 6) is -107.346326115024 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -107.346326115025 Stats: nIt(DAVIDSON) = 8 Energy at sites (3, 4) is -107.346326115024 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115024 ****************************************************************** *** Information on left sweep 1 of instruction 1: *** Elapsed wall time = 0.08084 seconds *** |--> S.join = 0.001878 seconds *** |--> S.solve = 0.054155 seconds *** |--> S.split = 0.001092 seconds *** |--> Tensor update = 0.022722 seconds *** |--> create = 0.009088 seconds *** |--> destroy = 0.000966 seconds *** |--> disk write = 0.004878 seconds *** |--> disk read = 0.00367 seconds *** |--> calc = 0.004112 seconds *** Disk write bandwidth = 167.852935853577 MB/s *** Disk read bandwidth = 222.115165855969 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115025 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.346326115024 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.346326115025 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.346326115025 Stats: nIt(DAVIDSON) = 4 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115024 ****************************************************************** *** Information on right sweep 1 of instruction 1: *** Elapsed wall time = 0.068617 seconds *** |--> S.join = 0.000417 seconds *** |--> S.solve = 0.042521 seconds *** |--> S.split = 0.001087 seconds *** |--> Tensor update = 0.023586 seconds *** |--> create = 0.009713 seconds *** |--> destroy = 0.000986 seconds *** |--> disk write = 0.004882 seconds *** |--> disk read = 0.003781 seconds *** |--> calc = 0.004208 seconds *** Disk write bandwidth = 166.973096823311 MB/s *** Disk read bandwidth = 216.552928086154 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 3.12638803734444e-13 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** The total number of reduced MPS variables = 2128 *** Minimum energy encountered during all instructions = -107.346326115025 *** Minimum energy encountered during the last sweep = -107.346326115025 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115025 NOON of irrep Ag = [ 1.99999018535359 , 1.9929217526721 , 1.03221285704674 ]. NOON of irrep B2g = [ 1.02415310254846 ]. NOON of irrep B3g = [ 0.0896934287560312 ]. NOON of irrep B1u = [ 1.99999295584653 , 1.9503915428227 , 0.0159495095080988 ]. NOON of irrep B2u = [ 1.9196215929853 ]. NOON of irrep B3u = [ 1.97507307246045 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322993693128 , 0.0447141472973885 , 0.83896699370261 , 0.79065896052581 , 0.317368561036568 , 9.24989501729204e-05 , 0.227634117379641 , 0.0907424583374266 , 0.299652804749039 , 0.133979297101054 ]. Idistance(0) = 1.57215407872428 Idistance(1) = 5.15805448316726 Idistance(2) = 21.98664099561 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.059843 seconds *** |--> MPS gauge change = 0.000636 seconds *** |--> Diagram calc = 0.004206 seconds *** |--> Tensor update = 0.053065 seconds *** |--> create = 0.021151 seconds *** |--> destroy = 0.002108 seconds *** |--> disk write = 0.01054 seconds *** |--> disk read = 0.008281 seconds *** |--> calc = 0.010933 seconds *** Disk write bandwidth = 157.577398832202 MB/s *** Disk read bandwidth = 200.563432398431 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1182 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.06982421875 MB memory. FCI::matvec : Wall time = 0.00436 seconds FCI::matvec : Wall time = 0.004245 seconds FCI::matvec : Wall time = 0.004209 seconds FCI::matvec : Wall time = 0.00421 seconds FCI::matvec : Wall time = 0.004225 seconds FCI::matvec : Wall time = 0.004271 seconds FCI::matvec : Wall time = 0.004283 seconds FCI::matvec : Wall time = 0.004237 seconds FCI::matvec : Wall time = 0.00421 seconds FCI::matvec : Wall time = 0.004304 seconds FCI::matvec : Wall time = 0.004187 seconds FCI::matvec : Wall time = 0.004318 seconds FCI::matvec : Wall time = 0.004304 seconds FCI::matvec : Wall time = 0.004298 seconds FCI::matvec : Wall time = 0.004249 seconds FCI::matvec : Wall time = 0.004217 seconds FCI::matvec : Wall time = 0.0046 seconds FCI::matvec : Wall time = 0.005089 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 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2021 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 17 Energy at sites (8, 9) is -104.967799386722 Stats: nIt(DAVIDSON) = 31 Energy at sites (7, 8) is -106.61727552529 Stats: nIt(DAVIDSON) = 44 Energy at sites (6, 7) is -106.950586748738 Stats: nIt(DAVIDSON) = 61 Energy at sites (5, 6) is -107.185316101305 Stats: nIt(DAVIDSON) = 41 Energy at sites (4, 5) is -107.189693988847 Stats: nIt(DAVIDSON) = 39 Energy at sites (3, 4) is -107.199540917327 Stats: nIt(DAVIDSON) = 11 Energy at sites (2, 3) is -107.199563286631 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199563286631 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.386026 seconds *** |--> S.join = 0.000382 seconds *** |--> S.solve = 0.360475 seconds *** |--> S.split = 0.002012 seconds *** |--> Tensor update = 0.023037 seconds *** |--> create = 0.009232 seconds *** |--> destroy = 0.000949 seconds *** |--> disk write = 0.005229 seconds *** |--> disk read = 0.003743 seconds *** |--> calc = 0.003868 seconds *** Disk write bandwidth = 160.868023339638 MB/s *** Disk read bandwidth = 223.765677702545 MB/s *** Minimum energy = -107.199563286631 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199563286631 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199563286631 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199563286631 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199563292518 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.199573930326 Stats: nIt(DAVIDSON) = 18 Energy at sites (5, 6) is -107.199614948804 Stats: nIt(DAVIDSON) = 8 Energy at sites (6, 7) is -107.199617360776 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617360776 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.101033 seconds *** |--> S.join = 0.000702 seconds *** |--> S.solve = 0.076536 seconds *** |--> S.split = 0.001441 seconds *** |--> Tensor update = 0.02227 seconds *** |--> create = 0.00904 seconds *** |--> destroy = 0.000872 seconds *** |--> disk write = 0.004711 seconds *** |--> disk read = 0.003789 seconds *** |--> calc = 0.003849 seconds *** Disk write bandwidth = 177.78707952465 MB/s *** Disk read bandwidth = 222.005514395083 MB/s *** Minimum energy = -107.199617360776 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.199617360776 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.199617360776 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617360776 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.199617360776 Stats: nIt(DAVIDSON) = 10 Energy at sites (5, 6) is -107.199617364269 Stats: nIt(DAVIDSON) = 4 Energy at sites (4, 5) is -107.199617390901 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617420007 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.199617421685 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421685 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.062966 seconds *** |--> S.join = 0.000706 seconds *** |--> S.solve = 0.039061 seconds *** |--> S.split = 0.001341 seconds *** |--> Tensor update = 0.021784 seconds *** |--> create = 0.008989 seconds *** |--> destroy = 0.000908 seconds *** |--> disk write = 0.004558 seconds *** |--> disk read = 0.00345 seconds *** |--> calc = 0.003865 seconds *** Disk write bandwidth = 184.54999869306 MB/s *** Disk read bandwidth = 242.76954540308 MB/s *** Minimum energy = -107.199617421685 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199617421685 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421685 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421685 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.199617421685 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.19961742173 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -107.199617421893 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.199617421893 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421893 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.037487 seconds *** |--> S.join = 0.000731 seconds *** |--> S.solve = 0.013446 seconds *** |--> S.split = 0.001254 seconds *** |--> Tensor update = 0.02199 seconds *** |--> create = 0.009068 seconds *** |--> destroy = 0.000934 seconds *** |--> disk write = 0.004401 seconds *** |--> disk read = 0.003501 seconds *** |--> calc = 0.004079 seconds *** Disk write bandwidth = 190.310141249858 MB/s *** Disk read bandwidth = 240.268178818329 MB/s *** Minimum energy = -107.199617421893 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 6.11169070907636e-08 ****************************************************************** *** 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 = -107.199617421893 *** Minimum energy encountered during the last sweep = -107.199617421893 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 Energy at sites (8, 9) is -107.199617421902 Stats: nIt(DAVIDSON) = 11 Energy at sites (7, 8) is -107.199617421907 Stats: nIt(DAVIDSON) = 16 Energy at sites (6, 7) is -107.199617421913 Stats: nIt(DAVIDSON) = 23 Energy at sites (5, 6) is -107.199617421916 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.199617421917 Stats: nIt(DAVIDSON) = 13 Energy at sites (3, 4) is -107.199617421918 Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421919 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 0.160767 seconds *** |--> S.join = 0.000841 seconds *** |--> S.solve = 0.135771 seconds *** |--> S.split = 0.001448 seconds *** |--> Tensor update = 0.022608 seconds *** |--> create = 0.008924 seconds *** |--> destroy = 0.001023 seconds *** |--> disk write = 0.005047 seconds *** |--> disk read = 0.003616 seconds *** |--> calc = 0.003988 seconds *** Disk write bandwidth = 166.66908936853 MB/s *** Disk read bandwidth = 231.624704546633 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617421919 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.199617421919 Stats: nIt(DAVIDSON) = 17 Energy at sites (5, 6) is -107.199617421919 Stats: nIt(DAVIDSON) = 9 Energy at sites (6, 7) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421919 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.101974 seconds *** |--> S.join = 0.000695 seconds *** |--> S.solve = 0.077135 seconds *** |--> S.split = 0.001377 seconds *** |--> Tensor update = 0.022668 seconds *** |--> create = 0.009274 seconds *** |--> destroy = 0.000932 seconds *** |--> disk write = 0.005011 seconds *** |--> disk read = 0.003521 seconds *** |--> calc = 0.003917 seconds *** Disk write bandwidth = 167.143271131635 MB/s *** Disk read bandwidth = 238.903406430835 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.59490207099589e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** The total number of reduced MPS variables = 2254 *** Minimum energy encountered during all instructions = -107.199617421919 *** Minimum energy encountered during the last sweep = -107.199617421919 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919 NOON of irrep Ag = [ 1.99998814651092 , 1.98924041565539 , 1.8768785798628 ]. NOON of irrep B2g = [ 0.139387811328712 ]. NOON of irrep B3g = [ 1.03112739713227 ]. NOON of irrep B1u = [ 1.99999431244147 , 1.10839164069616 , 0.0211636956970751 ]. NOON of irrep B2u = [ 1.96715797352655 ]. NOON of irrep B3u = [ 1.86667002714866 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980006726546 , 0.0818410216184698 , 0.449623198345192 , 0.486645055689155 , 0.811029481926946 , 6.68868118511311e-05 , 0.962046613681472 , 0.11209507040981 , 0.167176150574224 , 0.475082461362128 ]. Idistance(0) = 2.38445939184552 Idistance(1) = 9.57998273949303 Idistance(2) = 47.8783646837931 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.066234 seconds *** |--> MPS gauge change = 0.001284 seconds *** |--> Diagram calc = 0.004926 seconds *** |--> Tensor update = 0.059661 seconds *** |--> create = 0.023624 seconds *** |--> destroy = 0.001907 seconds *** |--> disk write = 0.012146 seconds *** |--> disk read = 0.010332 seconds *** |--> calc = 0.011576 seconds *** Disk write bandwidth = 140.428974937415 MB/s *** Disk read bandwidth = 165.08423631338 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1182 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.06982421875 MB memory. FCI::matvec : Wall time = 0.005036 seconds FCI::matvec : Wall time = 0.004909 seconds FCI::matvec : Wall time = 0.004287 seconds FCI::matvec : Wall time = 0.004448 seconds FCI::matvec : Wall time = 0.004397 seconds FCI::matvec : Wall time = 0.004269 seconds FCI::matvec : Wall time = 0.004232 seconds FCI::matvec : Wall time = 0.004273 seconds FCI::matvec : Wall time = 0.004281 seconds FCI::matvec : Wall time = 0.004217 seconds FCI::matvec : Wall time = 0.004185 seconds FCI::matvec : Wall time = 0.004452 seconds FCI::matvec : Wall time = 0.004436 seconds FCI::matvec : Wall time = 0.004158 seconds FCI::matvec : Wall time = 0.004136 seconds FCI::matvec : Wall time = 0.004076 seconds FCI::matvec : Wall time = 0.004622 seconds FCI::matvec : Wall time = 0.004191 seconds FCI::matvec : Wall time = 0.004304 seconds FCI::matvec : Wall time = 0.004174 seconds FCI::matvec : Wall time = 0.004146 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 RMS difference FCI and DMRG determinant coefficients = 0.0 RMS difference FCI and DMRG determinant coefficients = 0.0 RMS difference FCI and DMRG determinant coefficients = 0.0 RMS difference FCI and DMRG determinant coefficients = 0.0 RMS difference FCI and DMRG determinant coefficients = 0.0 RMS difference FCI and DMRG determinant coefficients = 0.0 ================> Did test 1 succeed : yes make[1]: Leaving directory '/<>' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary dh binary --with python3 dh_testroot dh_prep debian/rules override_dh_auto_install make[1]: Entering directory '/<>' dh_auto_install cd obj-x86_64-linux-gnu && make -j4 install DESTDIR=/<>/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[2]: Entering directory '/<>/obj-x86_64-linux-gnu' make[3]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 65%] Built target chemps2-base make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 66%] Built target chemps2-shared [ 67%] Built target chemps2-static make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 69%] Built target test1 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 71%] Built target test2 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 73%] Built target test3 [ 76%] Built target chemps2-bin make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 78%] Built target test5 [ 80%] Built target test4 make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 82%] Built target test6 make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 84%] Built target test7 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 86%] Built target test8 make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 89%] Built target test9 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 91%] Built target test10 [ 93%] Built target test12 [ 95%] Built target test11 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 97%] Built target test13 [100%] Built target test14 make[3]: Leaving directory '/<>/obj-x86_64-linux-gnu' Install the project... -- Install configuration: "release" -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Config.cmake -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2ConfigVersion.cmake -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/FindTargetHDF5.cmake -- Installing: /<>/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so.3 -- Set runtime path of "/<>/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so.3" to "" -- Installing: /<>/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so -- Installing: /<>/debian/tmp/usr/bin/chemps2 -- Set runtime path of "/<>/debian/tmp/usr/bin/chemps2" to "" -- Installing: /<>/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.a -- Up-to-date: /<>/debian/tmp/usr/bin/chemps2 -- Installing: /<>/debian/tmp/usr/include/chemps2 -- Installing: /<>/debian/tmp/usr/include/chemps2/EdmistonRuedenberg.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Options.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TwoDM.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRG.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorOperator.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFintegrals.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorS0.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Tensor3RDM.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Heff.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFunitary.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFrotations.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorKM.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TwoIndex.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorF0.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorF1.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Correlations.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorL.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Initialize.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Excitation.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Sobject.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Tensor.h -- Installing: /<>/debian/tmp/usr/include/chemps2/SyBookkeeper.h -- Installing: /<>/debian/tmp/usr/include/chemps2/CASPT2.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DIIS.h -- Installing: /<>/debian/tmp/usr/include/chemps2/FourIndex.h -- Installing: /<>/debian/tmp/usr/include/chemps2/ConvergenceScheme.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Problem.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Wigner.h -- Installing: /<>/debian/tmp/usr/include/chemps2/ThreeDM.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorQ.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h -- Installing: /<>/debian/tmp/usr/include/chemps2/CASSCF.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorS1.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Lapack.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Molden.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorT.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Special.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Davidson.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Hamiltonian.h -- Installing: /<>/debian/tmp/usr/include/chemps2/ConjugateGradient.h -- Installing: /<>/debian/tmp/usr/include/chemps2/FCI.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFwtilde.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorO.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorX.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Cumulant.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFindices.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorGYZ.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Irreps.h -- Installing: /<>/debian/tmp/usr/include/chemps2/MPIchemps2.h -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared.cmake -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared-release.cmake -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static.cmake -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static-release.cmake make[2]: Leaving directory '/<>/obj-x86_64-linux-gnu' # This will skip the build as it is already performed cd PyCheMPS2 && CPATH=../CheMPS2/include:/usr/include/hdf5/serial python3 setup.py install --root=../debian/tmp --install-layout=deb running install /usr/lib/python3/dist-packages/setuptools/command/install.py:34: SetuptoolsDeprecationWarning: setup.py install is deprecated. Use build and pip and other standards-based tools. warnings.warn( running build running build_ext skipping 'PyCheMPS2.cpp' Cython extension (up-to-date) running install_lib creating ../debian/tmp/usr/lib/python3 creating ../debian/tmp/usr/lib/python3/dist-packages copying build/lib.linux-x86_64-cpython-311/PyCheMPS2.cpython-311-x86_64-linux-gnu.so -> ../debian/tmp/usr/lib/python3/dist-packages running install_egg_info running egg_info creating CheMPS2.egg-info writing CheMPS2.egg-info/PKG-INFO writing dependency_links to CheMPS2.egg-info/dependency_links.txt writing top-level names to CheMPS2.egg-info/top_level.txt writing manifest file 'CheMPS2.egg-info/SOURCES.txt' reading manifest file 'CheMPS2.egg-info/SOURCES.txt' writing manifest file 'CheMPS2.egg-info/SOURCES.txt' Copying CheMPS2.egg-info to ../debian/tmp/usr/lib/python3/dist-packages/CheMPS2-1.8.12.egg-info Skipping SOURCES.txt running install_scripts dh_numpy3 make[1]: Leaving directory '/<>' dh_install dh_installdocs debian/rules override_dh_installchangelogs make[1]: Entering directory '/<>' dh_installchangelogs -k CHANGELOG.md make[1]: Leaving directory '/<>' dh_installman dh_python3 dh_perl dh_link dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_strip fb5277141f3e424ef4d2cf47c426f54e0fde96f3 00c628dc07c2163545259f9328908d884db7b4a3 10f11922f2a334b909f1973e68b1c6d63c44d6a3 dh_makeshlibs 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_1.8.12-1build1_amd64) +++ dpkg-gensymbolsUcrU_D 2022-12-25 19:41:18.741293783 +0000 @@ -142,12 +142,12 @@ _ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.8.7 _ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.8.7 _ZN7CheMPS216DMRGSCFintegralsD2Ev@Base 1.8.7 -#MISSING: 1.8.10-2# (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileEiii@Base 1.8.7 +#MISSING: 1.8.12-1build1# (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileEiii@Base 1.8.7 (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileElll@Base 1.8.7 -#MISSING: 1.8.10-2# (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileExxx@Base 1.8.7 -#MISSING: 1.8.10-2# (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEiiPdiii@Base 1.8.7 +#MISSING: 1.8.12-1build1# (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileExxx@Base 1.8.7 +#MISSING: 1.8.12-1build1# (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEiiPdiii@Base 1.8.7 (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEllPdiii@Base 1.8.7 -#MISSING: 1.8.10-2# (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileExxPdiii@Base 1.8.7 +#MISSING: 1.8.12-1build1# (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileExxPdiii@Base 1.8.7 _ZN7CheMPS216DMRGSCFrotations13package_firstEPdS1_iii@Base 1.8.7 _ZN7CheMPS216DMRGSCFrotations15blockwise_firstEPdS1_iiiS1_ii@Base 1.8.7 _ZN7CheMPS216DMRGSCFrotations15blockwise_thirdEPdS1_iiiS1_ii@Base 1.8.7 @@ -159,11 +159,12 @@ _ZN7CheMPS216DMRGSCFrotations5writeEPdPNS_9FourIndexEPNS_16DMRGSCFintegralsEcccciiiiPNS_14DMRGSCFindicesEiib@Base 1.8.7 _ZN7CheMPS216DMRGSCFrotations6rotateEPKNS_9FourIndexEPS1_PNS_16DMRGSCFintegralsEccccPNS_14DMRGSCFindicesEPNS_14DMRGSCFunitaryEPdSB_iNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 _ZN7CheMPS216DMRGSCFrotations9dimensionEPNS_14DMRGSCFindicesEic@Base 1.8.7 -#MISSING: 1.8.10-2# (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPiS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 -#MISSING: 1.8.10-2# (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPxS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 -#MISSING: 1.8.10-2# (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEiiPdiii@Base 1.8.7 +#MISSING: 1.8.12-1build1# (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPiS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 + _ZN7CheMPS216DMRGSCFrotations9open_fileEPlS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.12-1build1 +#MISSING: 1.8.12-1build1# (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPxS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 +#MISSING: 1.8.12-1build1# (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEiiPdiii@Base 1.8.7 (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEllPdiii@Base 1.8.7 -#MISSING: 1.8.10-2# (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileExxPdiii@Base 1.8.7 +#MISSING: 1.8.12-1build1# (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileExxPdiii@Base 1.8.7 _ZN7CheMPS217ConjugateGradient12apply_preconEPd@Base 1.8.7 _ZN7CheMPS217ConjugateGradient12apply_preconEPdS1_@Base 1.8.7 _ZN7CheMPS217ConjugateGradient4stepEPPd@Base 1.8.7 @@ -242,12 +243,12 @@ _ZN7CheMPS24DMRG16symm_4rdm_helperEPdiiddbd@Base 1.8.7 _ZN7CheMPS24DMRG16updateMovingLeftEi@Base 1.8.7 _ZN7CheMPS24DMRG17updateMovingRightEi@Base 1.8.7 -#MISSING: 1.8.10-2# (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 +#MISSING: 1.8.12-1build1# (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEliPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 -#MISSING: 1.8.10-2# (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHExiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 -#MISSING: 1.8.10-2# (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 +#MISSING: 1.8.12-1build1# (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHExiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 +#MISSING: 1.8.12-1build1# (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEliPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 -#MISSING: 1.8.10-2# (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHExiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 +#MISSING: 1.8.12-1build1# (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHExiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 _ZN7CheMPS24DMRG19activateExcitationsEi@Base 1.8.7 _ZN7CheMPS24DMRG19prepare_excitationsEPNS_7SobjectE@Base 1.8.7 _ZN7CheMPS24DMRG20updateMovingLeftSafeEi@Base 1.8.7 dh_shlibdeps dh_installdeb dh_gencontrol dpkg-gencontrol: warning: package libchemps2-3: 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 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: Depends field of package libchemps2-dev: substitution variable ${shlibs:Depends} used, but is not defined dpkg-gencontrol: warning: package libchemps2-dev: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package chemps2: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb INFO: pkgstriptranslations version 149 INFO: pkgstriptranslations version 149 INFO: pkgstriptranslations version 149 INFO: pkgstriptranslations version 149 pkgstriptranslations: processing chemps2 (in debian/chemps2); do_strip: , oemstrip: pkgstriptranslations: processing libchemps2-dev (in debian/libchemps2-dev); do_strip: , oemstrip: pkgstriptranslations: processing python3-chemps2 (in debian/python3-chemps2); do_strip: , oemstrip: pkgstriptranslations: processing libchemps2-3 (in debian/libchemps2-3); do_strip: , oemstrip: pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgstripfiles: processing control file: debian/chemps2/DEBIAN/control, package chemps2, directory debian/chemps2 pkgstripfiles: processing control file: debian/libchemps2-dev/DEBIAN/control, package libchemps2-dev, directory debian/libchemps2-dev .. removing usr/share/doc/libchemps2-dev/changelog.gz .. removing usr/share/doc/chemps2/changelog.gz INFO: pkgstripfiles: waiting for lock (libchemps2-dev) ... INFO: pkgstripfiles: waiting for lock (chemps2) ... pkgstripfiles: processing control file: debian/libchemps2-3/DEBIAN/control, package libchemps2-3, directory debian/libchemps2-3 .. removing usr/share/doc/libchemps2-3/changelog.gz pkgstripfiles: processing control file: debian/python3-chemps2/DEBIAN/control, package python3-chemps2, directory debian/python3-chemps2 .. removing usr/share/doc/python3-chemps2/changelog.gz INFO: pkgstripfiles: waiting for lock (python3-chemps2) ... pkgstripfiles: Running PNG optimization (using 4 cpus) for package libchemps2-3 ... pkgstripfiles: No PNG files. dpkg-deb: building package 'libchemps2-3' in '../libchemps2-3_1.8.12-1build1_amd64.deb'. INFO: pkgstriptranslations version 149 pkgstriptranslations: processing libchemps2-3-dbgsym (in debian/.debhelper/libchemps2-3/dbgsym-root); do_strip: , oemstrip: pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgstripfiles: processing control file: debian/.debhelper/libchemps2-3/dbgsym-root/DEBIAN/control, package libchemps2-3-dbgsym, directory debian/.debhelper/libchemps2-3/dbgsym-root dpkg-deb: building package 'libchemps2-3-dbgsym' in 'debian/.debhelper/scratch-space/build-libchemps2-3/libchemps2-3-dbgsym_1.8.12-1build1_amd64.deb'. Searching for duplicated docs in dependency libchemps2-3... INFO: pkgstripfiles: waiting for lock (chemps2) ... symlinking changelog.Debian.gz in libchemps2-dev to file in libchemps2-3 pkgstripfiles: Running PNG optimization (using 4 cpus) for package libchemps2-dev ... pkgstripfiles: No PNG files. dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.12-1build1_amd64.deb'. INFO: pkgstripfiles: waiting for lock (python3-chemps2) ... Renaming libchemps2-3-dbgsym_1.8.12-1build1_amd64.deb to libchemps2-3-dbgsym_1.8.12-1build1_amd64.ddeb INFO: pkgstripfiles: waiting for lock (chemps2) ... INFO: pkgstripfiles: waiting for lock (python3-chemps2) ... INFO: pkgstriptranslations version 149 pkgstriptranslations: processing chemps2-doc (in debian/chemps2-doc); do_strip: , oemstrip: pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgstripfiles: processing control file: debian/chemps2-doc/DEBIAN/control, package chemps2-doc, directory debian/chemps2-doc .. removing usr/share/doc/chemps2-doc/changelog.gz pkgstripfiles: Disabled PNG optimization for -doc package chemps2-doc (to save build time) dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-1build1_all.deb'. Searching for duplicated docs in dependency libchemps2-3... symlinking changelog.Debian.gz in chemps2 to file in libchemps2-3 pkgstripfiles: Running PNG optimization (using 4 cpus) for package chemps2 ... pkgstripfiles: No PNG files. dpkg-deb: building package 'chemps2' in '../chemps2_1.8.12-1build1_amd64.deb'. Searching for duplicated docs in dependency libchemps2-3... symlinking changelog.Debian.gz in python3-chemps2 to file in libchemps2-3 pkgstripfiles: Running PNG optimization (using 4 cpus) for package python3-chemps2 ... pkgstripfiles: No PNG files. dpkg-deb: building package 'python3-chemps2' in '../python3-chemps2_1.8.12-1build1_amd64.deb'. INFO: pkgstriptranslations version 149 pkgstriptranslations: processing chemps2-dbgsym (in debian/.debhelper/chemps2/dbgsym-root); do_strip: , oemstrip: INFO: pkgstriptranslations version 149 pkgstriptranslations: processing python3-chemps2-dbgsym (in debian/.debhelper/python3-chemps2/dbgsym-root); do_strip: , oemstrip: pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgstripfiles: processing control file: debian/.debhelper/chemps2/dbgsym-root/DEBIAN/control, package chemps2-dbgsym, directory debian/.debhelper/chemps2/dbgsym-root dpkg-deb: building package 'chemps2-dbgsym' in 'debian/.debhelper/scratch-space/build-chemps2/chemps2-dbgsym_1.8.12-1build1_amd64.deb'. pkgstripfiles: processing control file: debian/.debhelper/python3-chemps2/dbgsym-root/DEBIAN/control, package python3-chemps2-dbgsym, directory debian/.debhelper/python3-chemps2/dbgsym-root dpkg-deb: building package 'python3-chemps2-dbgsym' in 'debian/.debhelper/scratch-space/build-python3-chemps2/python3-chemps2-dbgsym_1.8.12-1build1_amd64.deb'. Renaming chemps2-dbgsym_1.8.12-1build1_amd64.deb to chemps2-dbgsym_1.8.12-1build1_amd64.ddeb Renaming python3-chemps2-dbgsym_1.8.12-1build1_amd64.deb to python3-chemps2-dbgsym_1.8.12-1build1_amd64.ddeb dpkg-genbuildinfo --build=binary -O../chemps2_1.8.12-1build1_amd64.buildinfo dpkg-genchanges --build=binary -mLaunchpad Build Daemon -O../chemps2_1.8.12-1build1_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) -------------------------------------------------------------------------------- Build finished at 2022-12-25T19:41:24Z Finished -------- I: Built successfully +------------------------------------------------------------------------------+ | Changes | +------------------------------------------------------------------------------+ chemps2_1.8.12-1build1_amd64.changes: ------------------------------------- Format: 1.8 Date: Sun, 25 Dec 2022 19:38:49 +0000 Source: chemps2 Binary: chemps2 chemps2-doc libchemps2-3 libchemps2-dev python3-chemps2 Built-For-Profiles: noudeb Architecture: amd64 all Version: 1.8.12-1build1 Distribution: lunar-proposed Urgency: medium Maintainer: Launchpad Build Daemon Changed-By: Graham Inggs Description: chemps2 - Executable to call libchemps2-3 from the command line chemps2-doc - Documentation of the libchemps2-3 package libchemps2-3 - Spin-adapted DMRG for ab initio quantum chemistry libchemps2-dev - C++ headers, static library, and symlink for libchemps2-3 python3-chemps2 - Python 3 interface for libchemps2-3 Changes: chemps2 (1.8.12-1build1) lunar; urgency=medium . * No-change rebuild with Python 3.11 as default Checksums-Sha1: c3c33ac4e0c41c282a21a77baa1d2f6ebd6c5370 166674 chemps2-dbgsym_1.8.12-1build1_amd64.ddeb 07335c4919cd3372451e6158a60fb33e09a71003 507348 chemps2-doc_1.8.12-1build1_all.deb c40dbd569e54b32ad4850b96a6ddc33256fef76e 11255 chemps2_1.8.12-1build1_amd64.buildinfo 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71.1-3ubuntu1), libidn2-0 (= 2.3.3-1build1), libisl23 (= 0.25-1), libitm1 (= 12.2.0-10ubuntu1), libjansson4 (= 2.14-2), libjpeg-dev (= 8c-2ubuntu10), libjpeg-turbo8 (= 2.1.2-0ubuntu1), libjpeg-turbo8-dev (= 2.1.2-0ubuntu1), libjpeg8 (= 8c-2ubuntu10), libjpeg8-dev (= 8c-2ubuntu10), libjs-jquery (= 3.6.1+dfsg+~3.5.14-1), libjs-mathjax (= 2.7.9+dfsg-1), libjs-sphinxdoc (= 5.3.0-2), libjs-underscore (= 1.13.4~dfsg+~1.11.4-2), libjson-perl (= 4.10000-1), libjsoncpp25 (= 1.9.5-4), libk5crypto3 (= 1.20.1-1build1), libkeyutils1 (= 1.6.3-2), libkrb5-3 (= 1.20.1-1build1), libkrb5support0 (= 1.20.1-1build1), liblapack-dev (= 3.11.0-2), liblapack3 (= 3.11.0-2), libldap2 (= 2.6.3+dfsg-1~exp1ubuntu1), liblsan0 (= 12.2.0-10ubuntu1), liblz4-1 (= 1.9.4-1), liblzma5 (= 5.4.0-0.1), libmagic-mgc (= 1:5.41-4), libmagic1 (= 1:5.41-4), libmd0 (= 1.0.4-2), libmount1 (= 2.38.1-4ubuntu1), libmpc3 (= 1.2.1-2build1), libmpdec3 (= 2.5.1-2build2), libmpfr6 (= 4.1.0-3build3), libncurses6 (= 6.3+20220423-2), libncursesw6 (= 6.3+20220423-2), libnettle8 (= 3.8.1-2), libnghttp2-14 (= 1.51.0-1), libnsl-dev (= 1.3.0-2build2), libnsl2 (= 1.3.0-2build2), libp11-kit0 (= 0.24.1-1ubuntu2), libpam-modules (= 1.5.2-5ubuntu1), libpam-modules-bin (= 1.5.2-5ubuntu1), libpam-runtime (= 1.5.2-5ubuntu1), libpam0g (= 1.5.2-5ubuntu1), libpcre2-8-0 (= 10.40-1ubuntu1), libperl5.36 (= 5.36.0-6), libpipeline1 (= 1.5.7-1), libprocps8 (= 2:3.3.17-7ubuntu1), libpsl5 (= 0.21.0-1.2build2), libpython3-dev (= 3.11.1-0ubuntu1), libpython3-stdlib (= 3.11.1-0ubuntu1), libpython3.10-minimal (= 3.10.9-1), libpython3.10-stdlib (= 3.10.9-1), libpython3.11 (= 3.11.1-1), libpython3.11-dev (= 3.11.1-1), libpython3.11-minimal (= 3.11.1-1), libpython3.11-stdlib (= 3.11.1-1), libquadmath0 (= 12.2.0-10ubuntu1), libreadline8 (= 8.2-1.2), librhash0 (= 1.4.3-3), librtmp1 (= 2.4+20151223.gitfa8646d.1-2build4), libsasl2-2 (= 2.1.28+dfsg-6ubuntu3), libsasl2-modules-db (= 2.1.28+dfsg-6ubuntu3), libseccomp2 (= 2.5.4-1ubuntu2), libselinux1 (= 3.4-1build1), libsmartcols1 (= 2.38.1-4ubuntu1), libsqlite3-0 (= 3.40.0-2), libssh-4 (= 0.10.4-2), libssl-dev (= 3.0.5-2ubuntu2), libssl3 (= 3.0.5-2ubuntu2), libstdc++-12-dev (= 12.2.0-10ubuntu1), libstdc++6 (= 12.2.0-10ubuntu1), libsub-override-perl (= 0.09-4), libsystemd0 (= 252.1-1ubuntu1), libsz2 (= 1.0.6-1), libtasn1-6 (= 4.19.0-2), libtinfo6 (= 6.3+20220423-2), libtirpc-common (= 1.3.3+ds-1), libtirpc-dev (= 1.3.3+ds-1), libtirpc3 (= 1.3.3+ds-1), libtool (= 2.4.7-5), libtsan2 (= 12.2.0-10ubuntu1), libubsan1 (= 12.2.0-10ubuntu1), libuchardet0 (= 0.0.7-1build2), libudev1 (= 252.1-1ubuntu1), libunistring2 (= 1.0-2), libuuid1 (= 2.38.1-4ubuntu1), libuv1 (= 1.44.2-1), libxml2 (= 2.9.14+dfsg-1.1), libzstd1 (= 1.5.2+dfsg-1), linux-libc-dev (= 5.19.0-23.24), login (= 1:4.13+dfsg1-1ubuntu1), lto-disabled-list (= 36), m4 (= 1.4.19-1), make (= 4.3-4.1build1), man-db (= 2.11.1-1), mawk (= 1.3.4.20200120-3.1), media-types (= 8.0.0), ncurses-base (= 6.3+20220423-2), ncurses-bin (= 6.3+20220423-2), openssl (= 3.0.5-2ubuntu2), patch (= 2.7.6-7build2), perl (= 5.36.0-6), perl-base (= 5.36.0-6), perl-modules-5.36 (= 5.36.0-6), po-debconf (= 1.0.21+nmu1), procps (= 2:3.3.17-7ubuntu1), python-babel-localedata (= 2.10.3-1), python3 (= 3.11.1-0ubuntu1), python3-alabaster (= 0.7.12-1), python3-all (= 3.11.1-0ubuntu1), python3-babel (= 2.10.3-1), python3-certifi (= 2022.9.24-1), python3-chardet (= 5.1.0+dfsg-1), python3-distutils (= 3.10.8-1), python3-docutils (= 0.17.1+dfsg-3), python3-idna (= 3.3-1), python3-imagesize (= 1.4.1-1), python3-jinja2 (= 3.0.3-2), python3-lib2to3 (= 3.10.8-1), python3-markupsafe (= 2.1.1-1), python3-minimal (= 3.11.1-0ubuntu1), python3-numpy (= 1:1.23.5-2), python3-packaging (= 21.3-1.1), python3-pkg-resources (= 65.5.0-1.1), python3-pygments (= 2.13.0+dfsg-1), python3-pyparsing (= 3.0.9-1), python3-requests (= 2.28.1+dfsg-1ubuntu1), python3-roman (= 3.3-3), python3-setuptools (= 65.5.0-1.1), python3-six (= 1.16.0-4), python3-snowballstemmer (= 2.2.0-2), python3-sphinx (= 5.3.0-2), python3-tz (= 2022.7-1), python3-urllib3 (= 1.26.12-1), python3.10 (= 3.10.9-1), python3.10-minimal (= 3.10.9-1), python3.11 (= 3.11.1-1), python3.11-minimal (= 3.11.1-1), readline-common (= 8.2-1.2), rpcsvc-proto (= 1.4.2-0ubuntu6), sed (= 4.8-1ubuntu2), sensible-utils (= 0.0.17), sgml-base (= 1.31), sphinx-common (= 5.3.0-2), sysvinit-utils (= 3.05-7ubuntu1), tar (= 1.34+dfsg-1.1), tzdata (= 2022g-0ubuntu2), usrmerge (= 33ubuntu1), util-linux (= 2.38.1-4ubuntu1), util-linux-extra (= 2.38.1-4ubuntu1), xml-core (= 0.18+nmu1), xz-utils (= 5.4.0-0.1), zlib1g (= 1:1.2.13.dfsg-1ubuntu3), zlib1g-dev (= 1:1.2.13.dfsg-1ubuntu3) Environment: DEB_BUILD_OPTIONS="parallel=4" DEB_BUILD_PROFILES="noudeb" LANG="C.UTF-8" LC_ALL="C.UTF-8" SOURCE_DATE_EPOCH="1671997129" +------------------------------------------------------------------------------+ | Package contents | +------------------------------------------------------------------------------+ chemps2-doc_1.8.12-1build1_all.deb ---------------------------------- new Debian package, version 2.0. size 507348 bytes: control archive=2614 bytes. 1623 bytes, 35 lines control 4792 bytes, 56 lines md5sums Package: chemps2-doc Source: chemps2 Version: 1.8.12-1build1 Architecture: all Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 1015 Section: doc Priority: optional Multi-Arch: foreign Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Documentation of the libchemps2-3 package chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . 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http://sebwouters.github.io/CheMPS2/index.html Description: Executable to call libchemps2-3 from the command line chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the executable which parses Hamiltonians in fcidump format, performs DMRG-SCF and DMRG-CASPT2 calculations as specified by the user. drwxr-xr-x root/root 0 2022-12-25 19:38 ./ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/bin/ -rwxr-xr-x root/root 71928 2022-12-25 19:38 ./usr/bin/chemps2 drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/share/ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/share/doc/ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/share/doc/chemps2/ lrwxrwxrwx root/root 0 2022-12-25 19:38 ./usr/share/doc/chemps2/CHANGELOG.md.gz -> changelog.gz lrwxrwxrwx root/root 0 2022-12-25 19:38 ./usr/share/doc/chemps2/changelog.Debian.gz -> ../libchemps2-3/changelog.Debian.gz -rw-r--r-- root/root 1275 2021-02-21 11:03 ./usr/share/doc/chemps2/copyright drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/share/man/ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/share/man/man1/ -rw-r--r-- root/root 3042 2022-12-25 19:38 ./usr/share/man/man1/chemps2.1.gz libchemps2-3_1.8.12-1build1_amd64.deb ------------------------------------- new Debian package, version 2.0. size 565618 bytes: control archive=9349 bytes. 1762 bytes, 35 lines control 374 bytes, 5 lines md5sums 26 bytes, 1 lines shlibs 66320 bytes, 1067 lines symbols 75 bytes, 2 lines triggers Package: libchemps2-3 Source: chemps2 Version: 1.8.12-1build1 Architecture: amd64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 1520 Depends: libblas3 | libblas.so.3, libc6 (>= 2.33), libgcc-s1 (>= 3.3.1), libgomp1 (>= 6), libhdf5-103-1, liblapack3 | liblapack.so.3, libstdc++6 (>= 5.2) Suggests: chemps2-doc Section: libs Priority: optional Multi-Arch: same Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Spin-adapted DMRG for ab initio quantum chemistry chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. drwxr-xr-x root/root 0 2022-12-25 19:38 ./ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/lib/ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/lib/x86_64-linux-gnu/ -rw-r--r-- root/root 1464488 2022-12-25 19:38 ./usr/lib/x86_64-linux-gnu/libchemps2.so.3 drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/share/ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/share/doc/ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/share/doc/libchemps2-3/ lrwxrwxrwx root/root 0 2022-12-25 19:38 ./usr/share/doc/libchemps2-3/CHANGELOG.md.gz -> changelog.gz -rw-r--r-- root/root 5460 2022-03-09 21:16 ./usr/share/doc/libchemps2-3/FILES.md.gz -rw-r--r-- root/root 2005 2022-03-09 21:16 ./usr/share/doc/libchemps2-3/README.md.gz -rw-r--r-- root/root 650 2022-12-25 19:38 ./usr/share/doc/libchemps2-3/changelog.Debian.gz -rw-r--r-- root/root 1275 2021-02-21 11:03 ./usr/share/doc/libchemps2-3/copyright libchemps2-dev_1.8.12-1build1_amd64.deb --------------------------------------- new Debian package, version 2.0. size 632950 bytes: control archive=2673 bytes. 1734 bytes, 37 lines control 4052 bytes, 59 lines md5sums Package: libchemps2-dev Source: chemps2 Version: 1.8.12-1build1 Architecture: amd64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 2910 Depends: libchemps2-3 (= 1.8.12-1build1) Suggests: chemps2-doc Section: libdevel Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: C++ headers, static library, and symlink for libchemps2-3 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the C++ headers, static library, and symlink for libchemps2. drwxr-xr-x root/root 0 2022-12-25 19:38 ./ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/include/ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/include/chemps2/ -rw-r--r-- root/root 12630 2022-03-09 21:16 ./usr/include/chemps2/CASPT2.h -rw-r--r-- root/root 31090 2022-03-09 21:16 ./usr/include/chemps2/CASSCF.h -rw-r--r-- root/root 3717 2022-03-09 21:16 ./usr/include/chemps2/ConjugateGradient.h -rw-r--r-- root/root 5460 2022-03-09 21:16 ./usr/include/chemps2/ConvergenceScheme.h -rw-r--r-- root/root 14687 2022-03-09 21:16 ./usr/include/chemps2/Correlations.h -rw-r--r-- root/root 10202 2022-03-09 21:16 ./usr/include/chemps2/Cumulant.h -rw-r--r-- root/root 4326 2022-03-09 21:16 ./usr/include/chemps2/DIIS.h -rw-r--r-- root/root 15415 2022-03-09 21:16 ./usr/include/chemps2/DMRG.h -rw-r--r-- root/root 6579 2022-03-09 21:16 ./usr/include/chemps2/DMRGSCFindices.h 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md5sums Package: python3-chemps2 Source: chemps2 Version: 1.8.12-1build1 Architecture: amd64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 272 Depends: python3-numpy (>= 1:1.22.0), python3-numpy-abi9, python3 (<< 3.12), python3 (>= 3.11~), libc6 (>= 2.14), libchemps2-3 (= 1.8.12-1build1), libgcc-s1 (>= 3.3.1), libstdc++6 (>= 5.2) Suggests: chemps2-doc Section: python Priority: optional Multi-Arch: same Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Python 3 interface for libchemps2-3 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the library for Python 3. drwxr-xr-x root/root 0 2022-12-25 19:38 ./ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/lib/ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/lib/python3/ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/lib/python3/dist-packages/ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/lib/python3/dist-packages/CheMPS2-1.8.12.egg-info/ -rw-r--r-- root/root 738 2022-12-25 19:38 ./usr/lib/python3/dist-packages/CheMPS2-1.8.12.egg-info/PKG-INFO -rw-r--r-- root/root 1 2022-12-25 19:38 ./usr/lib/python3/dist-packages/CheMPS2-1.8.12.egg-info/dependency_links.txt -rw-r--r-- root/root 10 2022-12-25 19:38 ./usr/lib/python3/dist-packages/CheMPS2-1.8.12.egg-info/top_level.txt -rw-r--r-- root/root 258552 2022-12-25 19:38 ./usr/lib/python3/dist-packages/PyCheMPS2.cpython-311-x86_64-linux-gnu.so drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/share/ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/share/doc/ drwxr-xr-x root/root 0 2022-12-25 19:38 ./usr/share/doc/python3-chemps2/ lrwxrwxrwx root/root 0 2022-12-25 19:38 ./usr/share/doc/python3-chemps2/CHANGELOG.md.gz -> changelog.gz lrwxrwxrwx root/root 0 2022-12-25 19:38 ./usr/share/doc/python3-chemps2/changelog.Debian.gz -> ../libchemps2-3/changelog.Debian.gz -rw-r--r-- root/root 1275 2021-02-21 11:03 ./usr/share/doc/python3-chemps2/copyright +------------------------------------------------------------------------------+ | Post Build | +------------------------------------------------------------------------------+ +------------------------------------------------------------------------------+ | Cleanup | +------------------------------------------------------------------------------+ Purging /<> Not removing build depends: as requested +------------------------------------------------------------------------------+ | Summary | +------------------------------------------------------------------------------+ Build Architecture: amd64 Build Type: binary Build-Space: 158940 Build-Time: 61 Distribution: lunar-proposed Host Architecture: amd64 Install-Time: 23 Job: chemps2_1.8.12-1build1.dsc Machine Architecture: amd64 Package: chemps2 Package-Time: 84 Source-Version: 1.8.12-1build1 Space: 158940 Status: successful Version: 1.8.12-1build1 -------------------------------------------------------------------------------- Finished at 2022-12-25T19:41:24Z Build needed 00:01:24, 158940k disk space Adding user buildd to group lxd RUN: /usr/share/launchpad-buildd/bin/in-target scan-for-processes --backend=chroot --series=lunar --arch=amd64 PACKAGEBUILD-25422470 Scanning for processes to kill in build PACKAGEBUILD-25422470