https://launchpad.net/ubuntu/+source/chemps2/1.8.9-1build4/+build/19297199 RUN: /usr/share/launchpad-buildd/bin/builder-prep Kernel version: Linux lgw01-amd64-035 4.4.0-178-generic #208-Ubuntu SMP Sun Apr 5 23:45:10 UTC 2020 x86_64 Buildd toolchain package versions: launchpad-buildd_189 python-lpbuildd_189 sbuild_0.67.0-2ubuntu7.1 bzr-builder_0.7.3+bzr174~ppa13~ubuntu14.10.1 bzr_2.7.0-2ubuntu3.1 git-build-recipe_0.3.6~git201906051340.ff11471~ubuntu16.04.1 git_1:2.7.4-0ubuntu1.9 dpkg-dev_1.18.4ubuntu1.6 python-debian_0.1.27ubuntu2. Syncing the system clock with the buildd NTP service... 13 May 10:02:43 ntpdate[1902]: adjust time server 10.211.37.1 offset -0.030430 sec RUN: /usr/share/launchpad-buildd/bin/in-target unpack-chroot --backend=chroot --series=groovy --arch=amd64 PACKAGEBUILD-19297199 --image-type chroot /home/buildd/filecache-default/7f6882774d93a6ce12d34cd2f4e4b83a707bcc6e Creating target for build PACKAGEBUILD-19297199 RUN: /usr/share/launchpad-buildd/bin/in-target mount-chroot --backend=chroot --series=groovy --arch=amd64 PACKAGEBUILD-19297199 Starting target for build PACKAGEBUILD-19297199 RUN: /usr/share/launchpad-buildd/bin/in-target override-sources-list --backend=chroot --series=groovy --arch=amd64 PACKAGEBUILD-19297199 'deb http://ftpmaster.internal/ubuntu groovy main universe' 'deb http://ftpmaster.internal/ubuntu groovy-security main universe' 'deb http://ftpmaster.internal/ubuntu groovy-updates main universe' 'deb http://ftpmaster.internal/ubuntu groovy-proposed main universe' Overriding sources.list in build-PACKAGEBUILD-19297199 RUN: /usr/share/launchpad-buildd/bin/in-target update-debian-chroot --backend=chroot --series=groovy --arch=amd64 PACKAGEBUILD-19297199 Updating target for build PACKAGEBUILD-19297199 Get:1 http://ftpmaster.internal/ubuntu groovy InRelease [268 kB] Get:2 http://ftpmaster.internal/ubuntu groovy-security InRelease [89.1 kB] Get:3 http://ftpmaster.internal/ubuntu groovy-updates InRelease [89.1 kB] Get:4 http://ftpmaster.internal/ubuntu groovy-proposed InRelease [119 kB] Get:5 http://ftpmaster.internal/ubuntu groovy/main amd64 Packages [971 kB] Get:6 http://ftpmaster.internal/ubuntu groovy/main Translation-en [506 kB] Get:7 http://ftpmaster.internal/ubuntu groovy/universe amd64 Packages [8728 kB] Get:8 http://ftpmaster.internal/ubuntu groovy/universe Translation-en [5175 kB] Get:9 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 Packages [80.5 kB] Get:10 http://ftpmaster.internal/ubuntu groovy-proposed/main Translation-en [36.3 kB] Get:11 http://ftpmaster.internal/ubuntu groovy-proposed/universe amd64 Packages [480 kB] Get:12 http://ftpmaster.internal/ubuntu groovy-proposed/universe Translation-en [290 kB] Fetched 16.8 MB in 2s (7395 kB/s) Reading package lists... Reading package lists... Building dependency tree... Reading state information... Calculating upgrade... The following packages will be upgraded: apt base-files cpp-9 dash debconf e2fsprogs g++-9 gcc-10-base gcc-9 gcc-9-base gpg gpg-agent gpgconf gpgv libacl1 libapt-pkg6.0 libasan5 libatomic1 libcap2 libcc1-0 libcom-err2 libcrypt-dev libcrypt1 libcryptsetup12 libext2fs2 libgcc-9-dev libgcc-s1 libgomp1 libidn2-0 libitm1 liblsan0 libncurses6 libncursesw6 libperl5.30 libprocps8 libquadmath0 libseccomp2 libsqlite3-0 libss2 libstdc++-9-dev libstdc++6 libsystemd0 libtinfo6 libtsan0 libubsan1 libudev1 linux-libc-dev logsave make ncurses-base ncurses-bin perl perl-base perl-modules-5.30 procps systemd systemd-sysv systemd-timesyncd sysvinit-utils tzdata 60 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. Need to get 50.3 MB of archives. After this operation, 101 kB of additional disk space will be used. Get:1 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 libcrypt-dev amd64 1:4.4.15-1ubuntu1 [104 kB] Get:2 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 libcrypt1 amd64 1:4.4.15-1ubuntu1 [78.2 kB] Get:3 http://ftpmaster.internal/ubuntu groovy/main amd64 base-files amd64 11ubuntu7 [60.1 kB] Get:4 http://ftpmaster.internal/ubuntu groovy/main amd64 libperl5.30 amd64 5.30.0-10 [3939 kB] Get:5 http://ftpmaster.internal/ubuntu groovy/main amd64 perl amd64 5.30.0-10 [224 kB] Get:6 http://ftpmaster.internal/ubuntu groovy/main amd64 perl-base amd64 5.30.0-10 [1511 kB] Get:7 http://ftpmaster.internal/ubuntu groovy/main amd64 perl-modules-5.30 all 5.30.0-10 [2738 kB] Get:8 http://ftpmaster.internal/ubuntu groovy/main amd64 debconf all 1.5.74 [121 kB] Get:9 http://ftpmaster.internal/ubuntu groovy/main amd64 dash amd64 0.5.10.2-7 [86.3 kB] Get:10 http://ftpmaster.internal/ubuntu groovy/main amd64 ncurses-bin amd64 6.2-1 [172 kB] Get:11 http://ftpmaster.internal/ubuntu groovy/main amd64 ncurses-base all 6.2-1 [18.7 kB] Get:12 http://ftpmaster.internal/ubuntu groovy/main amd64 sysvinit-utils amd64 2.96-3ubuntu1 [20.6 kB] Get:13 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 libubsan1 amd64 10.1.0-1ubuntu1 [136 kB] Get:14 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 libtsan0 amd64 10.1.0-1ubuntu1 [320 kB] Get:15 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 libquadmath0 amd64 10.1.0-1ubuntu1 [146 kB] Get:16 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 liblsan0 amd64 10.1.0-1ubuntu1 [144 kB] Get:17 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 libitm1 amd64 10.1.0-1ubuntu1 [26.3 kB] Get:18 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 libgomp1 amd64 10.1.0-1ubuntu1 [101 kB] Get:19 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 gcc-10-base amd64 10.1.0-1ubuntu1 [19.3 kB] Get:20 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 libgcc-s1 amd64 10.1.0-1ubuntu1 [41.5 kB] Get:21 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 libcc1-0 amd64 10.1.0-1ubuntu1 [41.2 kB] Get:22 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 libatomic1 amd64 10.1.0-1ubuntu1 [9288 B] Get:23 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 libstdc++6 amd64 10.1.0-1ubuntu1 [503 kB] Get:24 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 systemd-sysv amd64 245.5-2ubuntu2 [10.3 kB] Get:25 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 systemd-timesyncd amd64 245.5-2ubuntu2 [28.0 kB] Get:26 http://ftpmaster.internal/ubuntu groovy/main amd64 libacl1 amd64 2.2.53-8 [18.9 kB] Get:27 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 libcap2 amd64 1:2.34-1 [17.9 kB] Get:28 http://ftpmaster.internal/ubuntu groovy/main amd64 libcryptsetup12 amd64 2:2.3.1-1ubuntu1 [192 kB] Get:29 http://ftpmaster.internal/ubuntu groovy/main amd64 libidn2-0 amd64 2.3.0-1 [52.6 kB] Get:30 http://ftpmaster.internal/ubuntu groovy/main amd64 libseccomp2 amd64 2.4.3-1ubuntu2 [42.0 kB] Get:31 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 systemd amd64 245.5-2ubuntu2 [3797 kB] Get:32 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 libsystemd0 amd64 245.5-2ubuntu2 [271 kB] Get:33 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 libudev1 amd64 245.5-2ubuntu2 [78.4 kB] Get:34 http://ftpmaster.internal/ubuntu groovy/main amd64 libapt-pkg6.0 amd64 2.1.1 [839 kB] Get:35 http://ftpmaster.internal/ubuntu groovy/main amd64 gpgv amd64 2.2.20-1ubuntu1 [200 kB] Get:36 http://ftpmaster.internal/ubuntu groovy/main amd64 apt amd64 2.1.1 [1289 kB] Get:37 http://ftpmaster.internal/ubuntu groovy/main amd64 logsave amd64 1.45.6-1ubuntu1 [10.3 kB] Get:38 http://ftpmaster.internal/ubuntu groovy/main amd64 libext2fs2 amd64 1.45.6-1ubuntu1 [184 kB] Get:39 http://ftpmaster.internal/ubuntu groovy/main amd64 e2fsprogs amd64 1.45.6-1ubuntu1 [529 kB] Get:40 http://ftpmaster.internal/ubuntu groovy/main amd64 libncurses6 amd64 6.2-1 [101 kB] Get:41 http://ftpmaster.internal/ubuntu groovy/main amd64 libncursesw6 amd64 6.2-1 [132 kB] Get:42 http://ftpmaster.internal/ubuntu groovy/main amd64 libtinfo6 amd64 6.2-1 [87.1 kB] Get:43 http://ftpmaster.internal/ubuntu groovy/main amd64 libcom-err2 amd64 1.45.6-1ubuntu1 [9664 B] Get:44 http://ftpmaster.internal/ubuntu groovy/main amd64 libprocps8 amd64 2:3.3.16-4ubuntu1 [32.9 kB] Get:45 http://ftpmaster.internal/ubuntu groovy/main amd64 libss2 amd64 1.45.6-1ubuntu1 [11.3 kB] Get:46 http://ftpmaster.internal/ubuntu groovy/main amd64 procps amd64 2:3.3.16-4ubuntu1 [232 kB] Get:47 http://ftpmaster.internal/ubuntu groovy/main amd64 libsqlite3-0 amd64 3.31.1-5 [548 kB] Get:48 http://ftpmaster.internal/ubuntu groovy/main amd64 tzdata all 2020a-0ubuntu1 [293 kB] Get:49 http://ftpmaster.internal/ubuntu groovy/main amd64 libasan5 amd64 9.3.0-12ubuntu1 [395 kB] Get:50 http://ftpmaster.internal/ubuntu groovy/main amd64 g++-9 amd64 9.3.0-12ubuntu1 [8404 kB] Get:51 http://ftpmaster.internal/ubuntu groovy/main amd64 gcc-9 amd64 9.3.0-12ubuntu1 [8239 kB] Get:52 http://ftpmaster.internal/ubuntu groovy/main amd64 libstdc++-9-dev amd64 9.3.0-12ubuntu1 [1713 kB] Get:53 http://ftpmaster.internal/ubuntu groovy/main amd64 libgcc-9-dev amd64 9.3.0-12ubuntu1 [2359 kB] Get:54 http://ftpmaster.internal/ubuntu groovy/main amd64 cpp-9 amd64 9.3.0-12ubuntu1 [7489 kB] Get:55 http://ftpmaster.internal/ubuntu groovy/main amd64 gcc-9-base amd64 9.3.0-12ubuntu1 [19.5 kB] Get:56 http://ftpmaster.internal/ubuntu groovy/main amd64 gpg amd64 2.2.20-1ubuntu1 [485 kB] Get:57 http://ftpmaster.internal/ubuntu groovy/main amd64 gpgconf amd64 2.2.20-1ubuntu1 [124 kB] Get:58 http://ftpmaster.internal/ubuntu groovy/main amd64 gpg-agent amd64 2.2.20-1ubuntu1 [232 kB] Get:59 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 linux-libc-dev amd64 5.4.0-29.33 [1098 kB] Get:60 http://ftpmaster.internal/ubuntu groovy-proposed/main amd64 make amd64 4.2.1-2 [162 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 50.3 MB in 1s (42.8 MB/s) (Reading database ... 12816 files and directories currently installed.) 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Current default time zone: 'Etc/UTC' Local time is now: Wed May 13 10:03:00 UTC 2020. Universal Time is now: Wed May 13 10:03:00 UTC 2020. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up make (4.2.1-2) ... Setting up libncurses6:amd64 (6.2-1) ... Setting up libquadmath0:amd64 (10.1.0-1ubuntu1) ... Setting up libatomic1:amd64 (10.1.0-1ubuntu1) ... Setting up libss2:amd64 (1.45.6-1ubuntu1) ... Setting up libncursesw6:amd64 (6.2-1) ... Setting up logsave (1.45.6-1ubuntu1) ... Setting up libubsan1:amd64 (10.1.0-1ubuntu1) ... Setting up libcrypt-dev:amd64 (1:4.4.15-1ubuntu1) ... Setting up gpgconf (2.2.20-1ubuntu1) ... Setting up libperl5.30:amd64 (5.30.0-10) ... Setting up libcryptsetup12:amd64 (2:2.3.1-1ubuntu1) ... Setting up libcc1-0:amd64 (10.1.0-1ubuntu1) ... Setting up gpg (2.2.20-1ubuntu1) ... Setting up liblsan0:amd64 (10.1.0-1ubuntu1) ... Setting up libprocps8:amd64 (2:3.3.16-4ubuntu1) ... Setting up libitm1:amd64 (10.1.0-1ubuntu1) ... 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RUN: /usr/share/launchpad-buildd/bin/sbuild-package PACKAGEBUILD-19297199 amd64 groovy-proposed -c chroot:build-PACKAGEBUILD-19297199 --arch=amd64 --dist=groovy-proposed --nolog -A chemps2_1.8.9-1build4.dsc Initiating build PACKAGEBUILD-19297199 with 4 jobs across 4 processor cores. Kernel reported to sbuild: 4.4.0-178-generic #208-Ubuntu SMP Sun Apr 5 23:45:10 UTC 2020 x86_64 sbuild (Debian sbuild) 0.67.0 (26 Dec 2015) on lgw01-amd64-035.buildd +==============================================================================+ | chemps2 1.8.9-1build4 (amd64) 13 May 2020 10:03 | +==============================================================================+ Package: chemps2 Version: 1.8.9-1build4 Source Version: 1.8.9-1build4 Distribution: groovy-proposed Machine Architecture: amd64 Host Architecture: amd64 Build Architecture: amd64 I: NOTICE: Log filtering will replace 'build/chemps2-7vaJD1/chemps2-1.8.9' with '<>' I: NOTICE: Log filtering will replace 'build/chemps2-7vaJD1' with '<>' I: NOTICE: Log filtering will replace 'home/buildd/build-PACKAGEBUILD-19297199/chroot-autobuild' with '<>' +------------------------------------------------------------------------------+ | Fetch source files | +------------------------------------------------------------------------------+ Local sources ------------- chemps2_1.8.9-1build4.dsc exists in .; copying to chroot Check architectures ------------------- Check dependencies ------------------ Merged Build-Depends: build-essential, fakeroot Filtered Build-Depends: build-essential, fakeroot dpkg-deb: building package 'sbuild-build-depends-core-dummy' in '/<>/resolver-hQGEme/apt_archive/sbuild-build-depends-core-dummy.deb'. Ign:1 copy:/<>/resolver-hQGEme/apt_archive ./ InRelease Get:2 copy:/<>/resolver-hQGEme/apt_archive ./ Release [2119 B] Ign:3 copy:/<>/resolver-hQGEme/apt_archive ./ Release.gpg Get:4 copy:/<>/resolver-hQGEme/apt_archive ./ Sources [214 B] Get:5 copy:/<>/resolver-hQGEme/apt_archive ./ Packages [526 B] Fetched 2859 B in 0s (217 kB/s) Reading package lists... Reading package lists... +------------------------------------------------------------------------------+ | Install core build dependencies (apt-based resolver) | +------------------------------------------------------------------------------+ Installing build dependencies Reading package lists... Building dependency tree... Reading state information... The following NEW packages will be installed: sbuild-build-depends-core-dummy 0 upgraded, 1 newly installed, 0 to remove and 0 not upgraded. Need to get 856 B of archives. After this operation, 0 B of additional disk space will be used. Get:1 copy:/<>/resolver-hQGEme/apt_archive ./ sbuild-build-depends-core-dummy 0.invalid.0 [856 B] debconf: delaying package configuration, since apt-utils is not installed Fetched 856 B in 0s (0 B/s) Selecting previously unselected package sbuild-build-depends-core-dummy. (Reading database ... 12816 files and directories currently installed.) Preparing to unpack .../sbuild-build-depends-core-dummy_0.invalid.0_amd64.deb ... Unpacking sbuild-build-depends-core-dummy (0.invalid.0) ... Setting up sbuild-build-depends-core-dummy (0.invalid.0) ... 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, python3-sphinx (>= 1.1), cython3 (>= 0.19), python3-numpy, libpython3-dev, 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, python3-sphinx (>= 1.1), cython3 (>= 0.19), python3-numpy, libpython3-dev, libjs-mathjax, libjs-jquery, libjs-underscore dpkg-deb: building package 'sbuild-build-depends-chemps2-dummy' in '/<>/resolver-CYZAIm/apt_archive/sbuild-build-depends-chemps2-dummy.deb'. Ign:1 copy:/<>/resolver-CYZAIm/apt_archive ./ InRelease Get:2 copy:/<>/resolver-CYZAIm/apt_archive ./ Release [2119 B] Ign:3 copy:/<>/resolver-CYZAIm/apt_archive ./ Release.gpg Get:4 copy:/<>/resolver-CYZAIm/apt_archive ./ Sources [321 B] Get:5 copy:/<>/resolver-CYZAIm/apt_archive ./ Packages [645 B] Fetched 3085 B in 0s (255 kB/s) Reading package lists... Reading package lists... +------------------------------------------------------------------------------+ | Install chemps2 build dependencies (apt-based resolver) | +------------------------------------------------------------------------------+ Installing build dependencies Reading package lists... Building dependency tree... Reading state information... The following additional packages will be installed: autoconf automake autopoint autotools-dev bsdmainutils cmake cmake-data cython3 debhelper 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 libasn1-8-heimdal libblas-dev libblas3 libbrotli1 libbsd0 libcroco3 libcurl4 libdebhelper-perl libelf1 libexpat1 libexpat1-dev libfile-stripnondeterminism-perl libgfortran5 libglib2.0-0 libgssapi-krb5-2 libgssapi3-heimdal libhcrypto4-heimdal libhdf5-103-1 libhdf5-cpp-103-1 libhdf5-dev libhdf5-fortran-102 libhdf5-hl-100 libhdf5-hl-cpp-100 libhdf5-hl-fortran-100 libheimbase1-heimdal libheimntlm0-heimdal libhx509-5-heimdal libicu66 libjpeg-dev libjpeg-turbo8 libjpeg-turbo8-dev libjpeg8 libjpeg8-dev libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore libjsoncpp1 libk5crypto3 libkeyutils1 libkrb5-26-heimdal libkrb5-3 libkrb5support0 liblapack-dev liblapack3 libldap-2.4-2 libldap-common libmagic-mgc libmagic1 libmpdec2 libnghttp2-14 libpipeline1 libpsl5 libpython3-dev libpython3-stdlib libpython3.8 libpython3.8-dev libpython3.8-minimal libpython3.8-stdlib librhash0 libroken18-heimdal librtmp1 libsasl2-2 libsasl2-modules-db libsigsegv2 libssh-4 libsub-override-perl libsz2 libtool libuchardet0 libuv1 libwind0-heimdal libxml2 m4 man-db mime-support node-jquery 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-sphinx python3-tz python3-urllib3 python3.8 python3.8-minimal sgml-base sphinx-common xml-core zlib1g-dev Suggested packages: autoconf-archive gnu-standards autoconf-doc wamerican | wordlist whois vacation cmake-doc ninja-build cython-doc dh-make gettext-doc libasprintf-dev libgettextpo-dev groff lrzip liblapack-doc krb5-doc krb5-user libhdf5-doc fonts-mathjax-extras fonts-stix libjs-mathjax-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 python3-numpy-dbg python-pygments-doc ttf-bitstream-vera python-pyparsing-doc python3-cryptography python3-openssl python3-socks python-requests-doc python-setuptools-doc dvipng fonts-freefont-otf imagemagick-6.q16 latexmk python3-sphinx-rtd-theme python3-stemmer sphinx-doc texlive-fonts-recommended texlive-latex-extra texlive-plain-generic python3.8-venv python3.8-doc binfmt-support sgml-base-doc Recommended packages: python3-dev curl | wget | lynx libarchive-cpio-perl libglib2.0-data shared-mime-info xdg-user-dirs javascript-common krb5-locales publicsuffix libsasl2-modules libltdl-dev libmail-sendmail-perl libpaper-utils python3-pil The following NEW packages will be installed: autoconf automake autopoint autotools-dev bsdmainutils cmake cmake-data cython3 debhelper 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 libasn1-8-heimdal libblas-dev libblas3 libbrotli1 libbsd0 libcroco3 libcurl4 libdebhelper-perl libelf1 libexpat1 libexpat1-dev libfile-stripnondeterminism-perl libgfortran5 libglib2.0-0 libgssapi-krb5-2 libgssapi3-heimdal libhcrypto4-heimdal libhdf5-103-1 libhdf5-cpp-103-1 libhdf5-dev libhdf5-fortran-102 libhdf5-hl-100 libhdf5-hl-cpp-100 libhdf5-hl-fortran-100 libheimbase1-heimdal libheimntlm0-heimdal libhx509-5-heimdal libicu66 libjpeg-dev libjpeg-turbo8 libjpeg-turbo8-dev libjpeg8 libjpeg8-dev libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore libjsoncpp1 libk5crypto3 libkeyutils1 libkrb5-26-heimdal libkrb5-3 libkrb5support0 liblapack-dev liblapack3 libldap-2.4-2 libldap-common libmagic-mgc libmagic1 libmpdec2 libnghttp2-14 libpipeline1 libpsl5 libpython3-dev libpython3-stdlib libpython3.8 libpython3.8-dev libpython3.8-minimal libpython3.8-stdlib librhash0 libroken18-heimdal librtmp1 libsasl2-2 libsasl2-modules-db libsigsegv2 libssh-4 libsub-override-perl libsz2 libtool libuchardet0 libuv1 libwind0-heimdal libxml2 m4 man-db mime-support node-jquery 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-sphinx python3-tz python3-urllib3 python3.8 python3.8-minimal sbuild-build-depends-chemps2-dummy sgml-base sphinx-common xml-core zlib1g-dev 0 upgraded, 137 newly installed, 0 to remove and 0 not upgraded. Need to get 69.3 MB of archives. After this operation, 324 MB of additional disk space will be used. 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http://ftpmaster.internal/ubuntu groovy/main amd64 file amd64 1:5.38-4 [23.3 kB] Get:22 http://ftpmaster.internal/ubuntu groovy/main amd64 libelf1 amd64 0.176-1.1build1 [44.0 kB] Get:23 http://ftpmaster.internal/ubuntu groovy/main amd64 libglib2.0-0 amd64 2.64.2-1 [1287 kB] Get:24 http://ftpmaster.internal/ubuntu groovy/main amd64 libicu66 amd64 66.1-2ubuntu2 [8520 kB] Get:25 http://ftpmaster.internal/ubuntu groovy/main amd64 libxml2 amd64 2.9.10+dfsg-5 [640 kB] Get:26 http://ftpmaster.internal/ubuntu groovy/main amd64 python3-pkg-resources all 46.1.3-1 [127 kB] Get:27 http://ftpmaster.internal/ubuntu groovy/main amd64 gettext-base amd64 0.19.8.1-10build1 [50.2 kB] Get:28 http://ftpmaster.internal/ubuntu groovy/main amd64 libkrb5support0 amd64 1.17-6ubuntu4 [30.9 kB] Get:29 http://ftpmaster.internal/ubuntu groovy/main amd64 libk5crypto3 amd64 1.17-6ubuntu4 [80.2 kB] Get:30 http://ftpmaster.internal/ubuntu groovy/main amd64 libkeyutils1 amd64 1.6.1-2ubuntu1 [10.1 kB] Get:31 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groovy/main amd64 cmake-data all 3.16.3-3ubuntu1 [1612 kB] Get:42 http://ftpmaster.internal/ubuntu groovy/main amd64 libarchive13 amd64 3.4.2-1 [328 kB] Get:43 http://ftpmaster.internal/ubuntu groovy/main amd64 libbrotli1 amd64 1.0.7-6.1 [265 kB] Get:44 http://ftpmaster.internal/ubuntu groovy/main amd64 libroken18-heimdal amd64 7.7.0+dfsg-2 [41.8 kB] Get:45 http://ftpmaster.internal/ubuntu groovy/main amd64 libasn1-8-heimdal amd64 7.7.0+dfsg-2 [181 kB] Get:46 http://ftpmaster.internal/ubuntu groovy/main amd64 libheimbase1-heimdal amd64 7.7.0+dfsg-2 [29.7 kB] Get:47 http://ftpmaster.internal/ubuntu groovy/main amd64 libhcrypto4-heimdal amd64 7.7.0+dfsg-2 [88.0 kB] Get:48 http://ftpmaster.internal/ubuntu groovy/main amd64 libwind0-heimdal amd64 7.7.0+dfsg-2 [47.6 kB] Get:49 http://ftpmaster.internal/ubuntu groovy/main amd64 libhx509-5-heimdal amd64 7.7.0+dfsg-2 [107 kB] Get:50 http://ftpmaster.internal/ubuntu groovy/main amd64 libkrb5-26-heimdal amd64 7.7.0+dfsg-2 [207 kB] Get:51 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groovy/main amd64 libfile-stripnondeterminism-perl all 1.8.0-1 [16.2 kB] Get:71 http://ftpmaster.internal/ubuntu groovy/main amd64 dh-strip-nondeterminism all 1.8.0-1 [5228 B] Get:72 http://ftpmaster.internal/ubuntu groovy/main amd64 dwz amd64 0.13-5 [151 kB] Get:73 http://ftpmaster.internal/ubuntu groovy/main amd64 libcroco3 amd64 0.6.13-1 [82.5 kB] Get:74 http://ftpmaster.internal/ubuntu groovy/main amd64 gettext amd64 0.19.8.1-10build1 [895 kB] Get:75 http://ftpmaster.internal/ubuntu groovy/main amd64 intltool-debian all 0.35.0+20060710.5 [24.9 kB] Get:76 http://ftpmaster.internal/ubuntu groovy/main amd64 po-debconf all 1.0.21 [233 kB] Get:77 http://ftpmaster.internal/ubuntu groovy/main amd64 debhelper all 13ubuntu1 [877 kB] Get:78 http://ftpmaster.internal/ubuntu groovy/main amd64 python3-lib2to3 all 3.8.2-1ubuntu1 [74.1 kB] Get:79 http://ftpmaster.internal/ubuntu groovy/main amd64 python3-distutils all 3.8.2-1ubuntu1 [140 kB] Get:80 http://ftpmaster.internal/ubuntu 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all 2.7.4+dfsg-1 [5654 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 69.3 MB in 2s (34.0 MB/s) Selecting previously unselected package libpython3.8-minimal:amd64. 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Setting up bsdmainutils (11.1.2ubuntu3) ... update-alternatives: using /usr/bin/bsd-write to provide /usr/bin/write (write) in auto mode update-alternatives: using /usr/bin/bsd-from to provide /usr/bin/from (from) in auto mode Setting up liblapack-dev:amd64 (3.9.0-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so to provide /usr/lib/x86_64-linux-gnu/liblapack.so (liblapack.so-x86_64-linux-gnu) in auto mode Setting up libgssapi-krb5-2:amd64 (1.17-6ubuntu4) ... Setting up python3-idna (2.9-1) ... Setting up cython3 (0.29.14-0.1ubuntu3) ... Setting up libcroco3:amd64 (0.6.13-1) ... Setting up libssh-4:amd64 (0.9.3-2ubuntu2) ... Setting up autoconf (2.69-11.1) ... Setting up python3-urllib3 (1.25.9-1) ... Setting up dh-strip-nondeterminism (1.8.0-1) ... Setting up libhdf5-103-1:amd64 (1.10.6+repack-2) ... Setting up dwz (0.13-5) ... Setting up groff-base (1.22.4-5) ... Setting up xml-core (0.18+nmu1) ... 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Setting up python3-all (3.8.2-0ubuntu2) ... Setting up man-db (2.9.1-1) ... 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 intltool-debian (0.35.0+20060710.5) ... Setting up python3-pygments (2.3.1+dfsg-3) ... Setting up libhdf5-hl-cpp-100:amd64 (1.10.6+repack-2) ... Setting up python3-packaging (20.3-1.2) ... Setting up python3-chardet (3.0.4-7) ... Setting up libpython3.8-dev:amd64 (3.8.2-1ubuntu1.1) ... Setting up python3-requests (2.23.0+dfsg-2) ... Setting up libhdf5-fortran-102:amd64 (1.10.6+repack-2) ... Setting up python3-numpy (1:1.18.4-1) ... Setting up libjs-sphinxdoc (2.4.3-2ubuntu1) ... Setting up libhdf5-hl-fortran-100:amd64 (1.10.6+repack-2) ... Setting up libkrb5-26-heimdal:amd64 (7.7.0+dfsg-2) ... Setting up libpython3-dev:amd64 (3.8.2-0ubuntu2) ... Setting up po-debconf (1.0.21) ... Setting up libheimntlm0-heimdal:amd64 (7.7.0+dfsg-2) ... Setting up libgssapi3-heimdal:amd64 (7.7.0+dfsg-2) ... Setting up sphinx-common (2.4.3-2ubuntu1) ... Setting up libhdf5-dev (1.10.6+repack-2) ... 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 Setting up libldap-2.4-2:amd64 (2.4.49+dfsg-2ubuntu2) ... Setting up libcurl4:amd64 (7.68.0-1ubuntu2) ... Setting up cmake (3.16.3-3ubuntu1) ... Setting up dh-autoreconf (19) ... Setting up debhelper (13ubuntu1) ... Processing triggers for libc-bin (2.31-0ubuntu9) ... Processing triggers for sgml-base (1.30) ... Setting up docutils-common (0.16+dfsg-2) ... Processing triggers for sgml-base (1.30) ... Setting up python3-docutils (0.16+dfsg-2) ... update-alternatives: using /usr/share/docutils/scripts/python3/rst-buildhtml to provide /usr/bin/rst-buildhtml (rst-buildhtml) in auto mode update-alternatives: using /usr/share/docutils/scripts/python3/rst2html to provide /usr/bin/rst2html (rst2html) in auto mode update-alternatives: using /usr/share/docutils/scripts/python3/rst2html4 to provide /usr/bin/rst2html4 (rst2html4) in auto mode update-alternatives: using /usr/share/docutils/scripts/python3/rst2html5 to provide /usr/bin/rst2html5 (rst2html5) in auto mode update-alternatives: using /usr/share/docutils/scripts/python3/rst2latex to provide /usr/bin/rst2latex (rst2latex) in auto mode update-alternatives: using /usr/share/docutils/scripts/python3/rst2man to provide /usr/bin/rst2man (rst2man) in auto mode update-alternatives: using /usr/share/docutils/scripts/python3/rst2odt to provide /usr/bin/rst2odt (rst2odt) in auto mode update-alternatives: using /usr/share/docutils/scripts/python3/rst2odt_prepstyles to provide /usr/bin/rst2odt_prepstyles (rst2odt_prepstyles) in auto mode update-alternatives: using /usr/share/docutils/scripts/python3/rst2pseudoxml to provide /usr/bin/rst2pseudoxml (rst2pseudoxml) in auto mode update-alternatives: using /usr/share/docutils/scripts/python3/rst2s5 to provide /usr/bin/rst2s5 (rst2s5) in auto mode update-alternatives: using /usr/share/docutils/scripts/python3/rst2xetex to provide /usr/bin/rst2xetex (rst2xetex) in auto mode update-alternatives: using /usr/share/docutils/scripts/python3/rst2xml to provide /usr/bin/rst2xml (rst2xml) in auto mode update-alternatives: using /usr/share/docutils/scripts/python3/rstpep2html to provide /usr/bin/rstpep2html (rstpep2html) in auto mode Setting up python3-sphinx (2.4.3-2ubuntu1) ... update-alternatives: using /usr/share/sphinx/scripts/python3/sphinx-apidoc to provide /usr/bin/sphinx-apidoc (sphinx-apidoc) in auto mode update-alternatives: using /usr/share/sphinx/scripts/python3/sphinx-autogen to provide /usr/bin/sphinx-autogen (sphinx-autogen) in auto mode update-alternatives: using /usr/share/sphinx/scripts/python3/sphinx-build to provide /usr/bin/sphinx-build (sphinx-build) in auto mode update-alternatives: using /usr/share/sphinx/scripts/python3/sphinx-quickstart to provide /usr/bin/sphinx-quickstart (sphinx-quickstart) in auto mode Setting up sbuild-build-depends-chemps2-dummy (0.invalid.0) ... +------------------------------------------------------------------------------+ | Build environment | +------------------------------------------------------------------------------+ Kernel: Linux 4.4.0-178-generic amd64 (x86_64) Toolchain package versions: binutils_2.34-6ubuntu1 dpkg-dev_1.19.7ubuntu3 g++-9_9.3.0-12ubuntu1 gcc-9_9.3.0-12ubuntu1 libc6-dev_2.31-0ubuntu9 libstdc++-9-dev_9.3.0-12ubuntu1 libstdc++6_10.1.0-1ubuntu1 linux-libc-dev_5.4.0-29.33 Package versions: adduser_3.118ubuntu2 advancecomp_2.1-2.1build1 apt_2.1.1 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python3-roman_2.0.0-4 python3-setuptools_46.1.3-1 python3-six_1.14.0-3 python3-sphinx_2.4.3-2ubuntu1 python3-tz_2019.3-2 python3-urllib3_1.25.9-1 python3.8_3.8.2-1ubuntu1.1 python3.8-minimal_3.8.2-1ubuntu1.1 readline-common_8.0-4 sbuild-build-depends-chemps2-dummy_0.invalid.0 sbuild-build-depends-core-dummy_0.invalid.0 sed_4.7-1 sensible-utils_0.0.12+nmu1 sgml-base_1.30 sphinx-common_2.4.3-2ubuntu1 systemd_245.5-2ubuntu2 systemd-sysv_245.5-2ubuntu2 systemd-timesyncd_245.5-2ubuntu2 sysvinit-utils_2.96-3ubuntu1 tar_1.30+dfsg-7 tzdata_2020a-0ubuntu1 ubuntu-keyring_2020.02.11.2 util-linux_2.34-0.1ubuntu9 xml-core_0.18+nmu1 xz-utils_5.2.4-1 zlib1g_1:1.2.11.dfsg-2ubuntu1 zlib1g-dev_1:1.2.11.dfsg-2ubuntu1 +------------------------------------------------------------------------------+ | Build | +------------------------------------------------------------------------------+ Unpack source ------------- gpgv: Signature made Wed May 13 10:07:09 2020 UTC gpgv: using RSA key 25E3FF2D7F469DBE7D0D4E50AFCFEC8E669CE1C2 gpgv: Can't check signature: No public key dpkg-source: warning: failed to verify signature on ./chemps2_1.8.9-1build4.dsc dpkg-source: info: extracting chemps2 in chemps2-1.8.9 dpkg-source: info: unpacking chemps2_1.8.9.orig.tar.gz dpkg-source: info: unpacking chemps2_1.8.9-1build4.debian.tar.xz tar: debian/changelog: time stamp 2020-05-13 10:07:07 is 217.026889135 s in the future tar: debian: time stamp 2020-05-13 10:07:07 is 217.025978441 s in the future Check disc 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-19297199 SCHROOT_CHROOT_NAME=build-PACKAGEBUILD-19297199 SCHROOT_COMMAND=env SCHROOT_GID=2501 SCHROOT_GROUP=buildd SCHROOT_SESSION_ID=build-PACKAGEBUILD-19297199 SCHROOT_UID=2001 SCHROOT_USER=buildd SHELL=/bin/sh TERM=unknown USER=buildd V=1 dpkg-buildpackage ----------------- dpkg-buildpackage: info: source package chemps2 dpkg-buildpackage: info: source version 1.8.9-1build4 dpkg-buildpackage: info: source distribution groovy 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_PACKAGE_NO_PACKAGE_REGISTRY=ON -DCMAKE_INSTALL_RUNSTATEDIR=/run "-GUnix Makefiles" -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_AUTOGEN_VERBOSE=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 9.3.0 -- The CXX compiler identification is GNU 9.3.0 -- Check for working C compiler: /usr/bin/cc -- Check for working C compiler: /usr/bin/cc -- works -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Detecting C compile features -- Detecting C compile features - done -- Check for working CXX compiler: /usr/bin/c++ -- Check for working CXX compiler: /usr/bin/c++ -- works -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- 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 -- Looking for sgemm_ -- Looking for sgemm_ - not found -- Looking for pthread.h -- Looking for pthread.h - found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success -- Found Threads: TRUE -- Looking for sgemm_ -- Looking for sgemm_ - found -- Found BLAS: /usr/lib/x86_64-linux-gnu/libblas.so -- LAPACK detected. -- Found TargetLAPACK: Found LAPACK: /usr/lib/x86_64-linux-gnu/liblapack.so;/usr/lib/x86_64-linux-gnu/libblas.so -- HDF5: Using hdf5 compiler wrapper to determine C configuration -- HDF5 detected. -- Found TargetHDF5: Found HDF5: /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libsz.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libdl.so;/usr/lib/x86_64-linux-gnu/libm.so (found version 1.10.6) (found version "1.10.6") -- Found Sphinx: /usr/bin/sphinx-build -- Configuring done -- Generating done CMake Warning: Manually-specified variables were not used by the project: CMAKE_AUTOGEN_VERBOSE CMAKE_EXPORT_NO_PACKAGE_REGISTRY -- 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 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= Dependee "/<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-base.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-base.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-base.dir/depend.internal". Scanning dependencies of target chemps2-base 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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -c /<>/CheMPS2/CASPT2.cpp cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -c /<>/CheMPS2/CASSCFdebug.cpp cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -c /<>/CheMPS2/CASSCF.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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Correlations.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Davidson.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DIIS.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRG.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o -c /<>/CheMPS2/DMRGSCFoptions.cpp [ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -c /<>/CheMPS2/DMRGSCFrotations.cpp [ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o -c /<>/CheMPS2/DMRGSCFunitary.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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o -c /<>/CheMPS2/DMRGtechnics.cpp [ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o [ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Excitation.cpp.o -c /<>/CheMPS2/Excitation.cpp cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o -c /<>/CheMPS2/EdmistonRuedenberg.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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/FCI.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Heff.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Initialize.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Irreps.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Molden.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Sobject.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorF0.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorF1.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorQ.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorS0.cpp.o -c /<>/CheMPS2/TensorS0.cpp [ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o [ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorT.cpp.o -c /<>/CheMPS2/TensorT.cpp cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorS1.cpp.o -c /<>/CheMPS2/TensorS1.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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorX.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -c /<>/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="\"1.8.9 (2018-10-29)\"" -I/<>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -c /<>/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= Dependee "/<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/depend.internal". Scanning dependencies of target chemps2-static Scanning dependencies of target chemps2-shared make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' 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 -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 67%] Linking CXX static library libchemps2.a [ 67%] 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 cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -P CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake /usr/bin/c++ -fPIC -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libchemps2.so.3 -o libchemps2.so.3 CMakeFiles/chemps2-base.dir/CASPT2.cpp.o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o CMakeFiles/chemps2-base.dir/Correlations.cpp.o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o CMakeFiles/chemps2-base.dir/Davidson.cpp.o CMakeFiles/chemps2-base.dir/DIIS.cpp.o CMakeFiles/chemps2-base.dir/DMRG.cpp.o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o CMakeFiles/chemps2-base.dir/Excitation.cpp.o CMakeFiles/chemps2-base.dir/FCI.cpp.o CMakeFiles/chemps2-base.dir/FourIndex.cpp.o CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o CMakeFiles/chemps2-base.dir/Heff.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o CMakeFiles/chemps2-base.dir/Initialize.cpp.o CMakeFiles/chemps2-base.dir/Irreps.cpp.o CMakeFiles/chemps2-base.dir/Molden.cpp.o CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o CMakeFiles/chemps2-base.dir/Problem.cpp.o CMakeFiles/chemps2-base.dir/Sobject.cpp.o CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o CMakeFiles/chemps2-base.dir/TensorF0.cpp.o CMakeFiles/chemps2-base.dir/TensorF1.cpp.o CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o CMakeFiles/chemps2-base.dir/TensorKM.cpp.o CMakeFiles/chemps2-base.dir/TensorL.cpp.o CMakeFiles/chemps2-base.dir/TensorO.cpp.o CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o CMakeFiles/chemps2-base.dir/TensorQ.cpp.o CMakeFiles/chemps2-base.dir/TensorS0.cpp.o CMakeFiles/chemps2-base.dir/TensorS1.cpp.o CMakeFiles/chemps2-base.dir/TensorT.cpp.o CMakeFiles/chemps2-base.dir/TensorX.cpp.o CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -Wl,-rpath,/usr/lib/x86_64-linux-gnu/hdf5/serial: -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm 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/test14.dir/build.make tests/CMakeFiles/test14.dir/depend make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/depend make[4]: Entering directory '/<>/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= make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.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]: 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/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/test3.dir/DependInfo.cmake --color= Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/depend.internal". Scanning dependencies of target test14 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' Scanning dependencies of target test3 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' Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/depend.internal". Scanning dependencies of target chemps2-bin make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build Scanning dependencies of target test1 make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build [ 68%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test14.dir/tests/test14.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test14.cpp [ 69%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test3.dir/tests/test3.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test3.cpp make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 70%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/chemps2-bin.dir/executable.cpp.o -c /<>/CheMPS2/executable.cpp [ 71%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test1.dir/tests/test1.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test1.cpp [ 72%] 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 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -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 -lpthread -lsz -lz -ldl -lm [ 75%] Linking CXX executable test14 [ 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 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 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -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 -lpthread -lsz -lz -ldl -lm /usr/bin/c++ -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -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 -lpthread -lsz -lz -ldl -lm make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 75%] Built target test3 make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/depend make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving 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= [ 75%] Built target test14 Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/depend.internal". make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.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/test12.dir/DependInfo.cmake --color= Scanning dependencies of target test4 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' Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/depend.internal". [ 76%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test4.dir/tests/test4.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test4.cpp Scanning dependencies of target test12 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' [ 77%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test12.dir/tests/test12.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test12.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= Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/depend.internal". Scanning dependencies of target test6 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="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test6.dir/tests/test6.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test6.cpp [ 79%] Linking CXX executable chemps2 cd /<>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-bin.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -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 -lpthread -lsz -lz -ldl -lm [ 80%] 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 /usr/bin/c++ -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -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 -lpthread -lsz -lz -ldl -lm [ 81%] 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 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -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 -lpthread -lsz -lz -ldl -lm [ 82%] 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 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -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 -lpthread -lsz -lz -ldl -lm make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 82%] Built target test4 make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.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/test2.dir/DependInfo.cmake --color= make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/depend.internal". Scanning dependencies of target test2 make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/build [ 82%] Built target test12 make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.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" /<> /<>/tests /<>/obj-x86_64-linux-gnu /<>/obj-x86_64-linux-gnu/tests /<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake --color= [ 83%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/depend.internal". cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test2.dir/tests/test2.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test2.cpp Scanning dependencies of target test7 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' [ 84%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test7.dir/tests/test7.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test7.cpp make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 84%] Built target test6 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= Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/depend.internal". Scanning dependencies of target test8 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' [ 85%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test8.dir/tests/test8.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test8.cpp [ 86%] 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 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -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 -lpthread -lsz -lz -ldl -lm [ 88%] Linking CXX executable test7 cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test7.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -Wl,-z,relro -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 -lpthread -lsz -lz -ldl -lm [ 89%] 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 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test8.dir/tests/test8.cpp.o -o test8 -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 -lpthread -lsz -lz -ldl -lm make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 89%] Built target test2 make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.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/test13.dir/DependInfo.cmake --color= Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/depend.internal". Scanning dependencies of target test13 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' [ 90%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test13.dir/tests/test13.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test13.cpp make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 90%] Built target test8 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= Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/depend.internal". Scanning dependencies of target test5 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' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 91%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test5.dir/tests/test5.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test5.cpp [ 91%] Built target test7 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 /<>/obj-x86_64-linux-gnu/tests /<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake --color= Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/depend.internal". Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/depend.internal". Scanning dependencies of target test9 make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 92%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test9.dir/tests/test9.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test9.cpp [ 93%] 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 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -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 -lpthread -lsz -lz -ldl -lm [ 94%] 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 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -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 -lpthread -lsz -lz -ldl -lm [ 95%] 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 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -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 -lpthread -lsz -lz -ldl -lm make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 95%] Built target test13 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= Dependee "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake" is newer than depender "/<>/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/depend.internal". 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Scanning dependencies of target test11 make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/build make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 97%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o cd /<>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.9 (2018-10-29)\"" -DUSING_CheMPS2 -I/<>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test11.dir/tests/test11.cpp.o -c /<>/obj-x86_64-linux-gnu/tests/tests/test11.cpp make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 97%] Built target test9 make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 97%] Built target chemps2-bin [ 98%] 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 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -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 -lpthread -lsz -lz -ldl -lm [100%] 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 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test11.dir/tests/test11.cpp.o -o test11 -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 -lpthread -lsz -lz -ldl -lm make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [100%] Built target test10 make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [100%] Built target test11 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' # 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 v2.4.3 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... genindexdone writing additional pages... searchdone 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. 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 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 building 'PyCheMPS2' extension creating build creating build/temp.linux-x86_64-3.8 x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -fdebug-prefix-map=/<>=. -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/python3.8 -c PyCheMPS2.cpp -o build/temp.linux-x86_64-3.8/PyCheMPS2.o In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1832, 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:4, from PyCheMPS2.cpp:612: /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_64-3.8 x86_64-linux-gnu-g++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-x86_64-3.8/PyCheMPS2.o -L../obj-x86_64-linux-gnu/CheMPS2 -lchemps2 -o build/lib.linux-x86_64-3.8/PyCheMPS2.cpython-38-x86_64-linux-gnu.so /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) 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 0.63 sec Start 5: test5 2/3 Test #5: test5 ............................ Passed 1.22 sec Start 8: test8 3/3 Test #8: test8 ............................ Passed 0.96 sec 100% tests passed, 0 tests failed out of 3 Total Test time (real) = 2.81 sec cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-x86_64-3.8:.. \ 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) 2013-2018 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 -101.136394507191 Stats: nIt(DAVIDSON) = 18 Energy at sites (7, 8) is -106.852156535308 Stats: nIt(DAVIDSON) = 55 Energy at sites (6, 7) is -106.872176662054 Stats: nIt(DAVIDSON) = 74 Energy at sites (5, 6) is -106.908292592418 Stats: nIt(DAVIDSON) = 39 Energy at sites (4, 5) is -107.631461423808 Stats: nIt(DAVIDSON) = 28 Energy at sites (3, 4) is -107.647969807699 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.647969807699 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.647969807699 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.378033 seconds *** |--> S.join = 0.000803 seconds *** |--> S.solve = 0.35198 seconds *** |--> S.split = 0.000966 seconds *** |--> Tensor update = 0.02255 seconds *** |--> create = 0.008193 seconds *** |--> destroy = 0.00047 seconds *** |--> disk write = 0.00653 seconds *** |--> disk read = 0.004461 seconds *** |--> calc = 0.002885 seconds *** Disk write bandwidth = 89.7335969653283 MB/s *** Disk read bandwidth = 131.79646508893 MB/s *** Minimum energy = -107.647969807699 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.647969807699 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.647969807699 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.647969807699 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.647969807699 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -107.647991712679 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250366596 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250366596 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250366596 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.062848 seconds *** |--> S.join = 0.000836 seconds *** |--> S.solve = 0.037486 seconds *** |--> S.split = 0.000941 seconds *** |--> Tensor update = 0.021915 seconds *** |--> create = 0.008227 seconds *** |--> destroy = 0.000511 seconds *** |--> disk write = 0.005679 seconds *** |--> disk read = 0.004478 seconds *** |--> calc = 0.003003 seconds *** Disk write bandwidth = 103.529500046085 MB/s *** Disk read bandwidth = 130.853146088342 MB/s *** Minimum energy = -107.648250366596 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.648250366596 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.648250366596 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250366596 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250366596 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.648250366596 Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -107.648250863768 Stats: nIt(DAVIDSON) = 4 Energy at sites (3, 4) is -107.648250971923 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250971923 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250971923 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.044665 seconds *** |--> S.join = 0.000868 seconds *** |--> S.solve = 0.01946 seconds *** |--> S.split = 0.000946 seconds *** |--> Tensor update = 0.021668 seconds *** |--> create = 0.008273 seconds *** |--> destroy = 0.000466 seconds *** |--> disk write = 0.005567 seconds *** |--> disk read = 0.004396 seconds *** |--> calc = 0.002945 seconds *** Disk write bandwidth = 105.25604242565 MB/s *** Disk read bandwidth = 133.745229927598 MB/s *** Minimum energy = -107.648250971923 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250971923 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250971923 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250971923 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250971923 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.648250972039 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.648250973996 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250973995 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.041428 seconds *** |--> S.join = 0.000876 seconds *** |--> S.solve = 0.016048 seconds *** |--> S.split = 0.000964 seconds *** |--> Tensor update = 0.021817 seconds *** |--> create = 0.008312 seconds *** |--> destroy = 0.000467 seconds *** |--> disk write = 0.005713 seconds *** |--> disk read = 0.004342 seconds *** |--> calc = 0.002962 seconds *** Disk write bandwidth = 102.913360889501 MB/s *** Disk read bandwidth = 134.951724593181 MB/s *** Minimum energy = -107.648250973996 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 6.07399243790496e-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 = -107.648250973996 *** Minimum energy encountered during the last sweep = -107.648250973996 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 6 Energy at sites (8, 9) is -107.648250973996 Stats: nIt(DAVIDSON) = 8 Energy at sites (7, 8) is -107.648250973997 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.648250974001 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.648250974001 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.648250974005 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250974013 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 0.0944970000000001 seconds *** |--> S.join = 0.000859 seconds *** |--> S.solve = 0.06907 seconds *** |--> S.split = 0.000954 seconds *** |--> Tensor update = 0.022042 seconds *** |--> create = 0.008519 seconds *** |--> destroy = 0.000475 seconds *** |--> disk write = 0.005632 seconds *** |--> disk read = 0.004369 seconds *** |--> calc = 0.003027 seconds *** Disk write bandwidth = 104.041262106462 MB/s *** Disk read bandwidth = 134.571762591375 MB/s *** Minimum energy = -107.648250974013 *** 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) = 9 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 = 0.066852 seconds *** |--> S.join = 0.003413 seconds *** |--> S.solve = 0.038812 seconds *** |--> S.split = 0.000974 seconds *** |--> Tensor update = 0.021951 seconds *** |--> create = 0.008281 seconds *** |--> destroy = 0.00047 seconds *** |--> disk write = 0.005801 seconds *** |--> disk read = 0.004366 seconds *** |--> calc = 0.003016 seconds *** Disk write bandwidth = 101.352185961337 MB/s *** Disk read bandwidth = 134.209891933943 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.80477854883065e-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 = [ 1.99999530444277 , 1.99487994118349 , 1.98267954070274 ]. NOON of irrep B2g = [ 0.0748715522334342 ]. NOON of irrep B3g = [ 0.0748715523631026 ]. NOON of irrep B1u = [ 1.9999968183922 , 1.98658242717232 , 0.0188079712054081 ]. NOON of irrep B2u = [ 1.93365744619612 ]. NOON of irrep B3u = [ 1.9336574461084 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009426199311 , 0.0515866778306901 , 0.0764971089229111 , 0.257716818841085 , 0.25771681903094 , 8.47155300107714e-05 , 0.0462800402653987 , 0.100736303523639 , 0.241506019556806 , 0.241506019776253 ]. Idistance(0) = 1.30939331248835 Idistance(1) = 5.42402999832863 Idistance(2) = 26.7355488199493 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.060128 seconds *** |--> MPS gauge change = 0.001991 seconds *** |--> Diagram calc = 0.004494 seconds *** |--> Tensor update = 0.051528 seconds *** |--> create = 0.019066 seconds *** |--> destroy = 0.001161 seconds *** |--> disk write = 0.013391 seconds *** |--> disk read = 0.01046 seconds *** |--> calc = 0.007386 seconds *** Disk write bandwidth = 88.9125570724974 MB/s *** Disk read bandwidth = 113.826773590613 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 = 0.003474 seconds FCI::matvec : Wall time = 0.003585 seconds FCI::matvec : Wall time = 0.003568 seconds FCI::matvec : Wall time = 0.003617 seconds FCI::matvec : Wall time = 0.003496 seconds FCI::matvec : Wall time = 0.003499 seconds FCI::matvec : Wall time = 0.003466 seconds FCI::matvec : Wall time = 0.003655 seconds FCI::matvec : Wall time = 0.003355 seconds FCI::matvec : Wall time = 0.003411 seconds FCI::matvec : Wall time = 0.003383 seconds FCI::matvec : Wall time = 0.003399 seconds FCI::matvec : Wall time = 0.003384 seconds FCI::matvec : Wall time = 0.003408 seconds FCI::matvec : Wall time = 0.003376 seconds FCI::matvec : Wall time = 0.0034 seconds FCI::matvec : Wall time = 0.003388 seconds FCI::matvec : Wall time = 0.003415 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974013 FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -1.09208528450249e-20 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) 2013-2018 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 -102.95931092295 Stats: nIt(DAVIDSON) = 46 Energy at sites (7, 8) is -106.327197830078 Stats: nIt(DAVIDSON) = 31 Energy at sites (6, 7) is -106.397120668323 Stats: nIt(DAVIDSON) = 61 Energy at sites (5, 6) is -107.318192596365 Stats: nIt(DAVIDSON) = 50 Energy at sites (4, 5) is -107.326027726559 Stats: nIt(DAVIDSON) = 22 Energy at sites (3, 4) is -107.328762811006 Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.328764351727 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328764351727 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.493633 seconds *** |--> S.join = 0.000826 seconds *** |--> S.solve = 0.464816 seconds *** |--> S.split = 0.001146 seconds *** |--> Tensor update = 0.025068 seconds *** |--> create = 0.009627 seconds *** |--> destroy = 0.000516 seconds *** |--> disk write = 0.006112 seconds *** |--> disk read = 0.004608 seconds *** |--> calc = 0.004187 seconds *** Disk write bandwidth = 138.22410743274 MB/s *** Disk read bandwidth = 182.552470101251 MB/s *** Minimum energy = -107.328764351727 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328764351727 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328764351727 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328764351727 Stats: nIt(DAVIDSON) = 4 Energy at sites (3, 4) is -107.328764353634 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.328766777575 Stats: nIt(DAVIDSON) = 7 Energy at sites (5, 6) is -107.328768891707 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768891708 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768891708 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.076746 seconds *** |--> S.join = 0.000891 seconds *** |--> S.solve = 0.047174 seconds *** |--> S.split = 0.001165 seconds *** |--> Tensor update = 0.025754 seconds *** |--> create = 0.010034 seconds *** |--> destroy = 0.000512 seconds *** |--> disk write = 0.006332 seconds *** |--> disk read = 0.004355 seconds *** |--> calc = 0.004506 seconds *** Disk write bandwidth = 132.849302309944 MB/s *** Disk read bandwidth = 193.989838031896 MB/s *** Minimum energy = -107.328768891708 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.328768891708 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.328768891707 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768891707 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768891707 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768891707 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.328768892185 Stats: nIt(DAVIDSON) = 3 Energy at sites (3, 4) is -107.328768897982 Stats: nIt(DAVIDSON) = 2 Energy at sites (2, 3) is -107.328768897996 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768897996 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.049024 seconds *** |--> S.join = 0.000897 seconds *** |--> S.solve = 0.02031 seconds *** |--> S.split = 0.001126 seconds *** |--> Tensor update = 0.024892 seconds *** |--> create = 0.00955 seconds *** |--> destroy = 0.000533 seconds *** |--> disk write = 0.005965 seconds *** |--> disk read = 0.004652 seconds *** |--> calc = 0.004172 seconds *** Disk write bandwidth = 141.630468504427 MB/s *** Disk read bandwidth = 180.825834528496 MB/s *** Minimum energy = -107.328768897996 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328768897996 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768897996 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768897996 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.328768897996 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.328768898022 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768898022 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898022 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898022 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.045041 seconds *** |--> S.join = 0.000877 seconds *** |--> S.solve = 0.015744 seconds *** |--> S.split = 0.001374 seconds *** |--> Tensor update = 0.025295 seconds *** |--> create = 0.009919 seconds *** |--> destroy = 0.000521 seconds *** |--> disk write = 0.006071 seconds *** |--> disk read = 0.004428 seconds *** |--> calc = 0.004336 seconds *** Disk write bandwidth = 138.560662531142 MB/s *** Disk read bandwidth = 190.79172191258 MB/s *** Minimum energy = -107.328768898022 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 6.31456487099058e-09 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 2280 *** Minimum energy encountered during all instructions = -107.328768898022 *** Minimum energy encountered during the last sweep = -107.328768898022 *** 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 -107.328768898028 Stats: nIt(DAVIDSON) = 13 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) = 14 Energy at sites (3, 4) is -107.328768898032 Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 0.16243 seconds *** |--> S.join = 0.000924 seconds *** |--> S.solve = 0.13356 seconds *** |--> S.split = 0.001168 seconds *** |--> Tensor update = 0.024972 seconds *** |--> create = 0.009467 seconds *** |--> destroy = 0.000566 seconds *** |--> disk write = 0.006082 seconds *** |--> disk read = 0.004647 seconds *** |--> calc = 0.004193 seconds *** Disk write bandwidth = 138.905910001464 MB/s *** Disk read bandwidth = 181.020396433519 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) = 7 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 -107.328768898032 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898033 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.129974 seconds *** |--> S.join = 0.002338 seconds *** |--> S.solve = 0.098334 seconds *** |--> S.split = 0.001165 seconds *** |--> Tensor update = 0.026363 seconds *** |--> create = 0.009926 seconds *** |--> destroy = 0.000565 seconds *** |--> disk write = 0.006541 seconds *** |--> disk read = 0.004678 seconds *** |--> calc = 0.004632 seconds *** Disk write bandwidth = 128.604461431977 MB/s *** Disk read bandwidth = 180.595499065606 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.04307673609583e-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) = -107.328768898032 NOON of irrep Ag = [ 1.99999672241075 , 1.99571463015337 , 1.98497373603833 ]. NOON of irrep B2g = [ 0.538989905111151 ]. NOON of irrep B3g = [ 0.538989904966277 ]. NOON of irrep B1u = [ 1.99999702947246 , 1.99149890562539 , 0.019469066841708 ]. NOON of irrep B2u = [ 1.46518504976315 ]. NOON of irrep B3u = [ 1.4651850496174 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862739998943 , 0.0587089374002509 , 0.0554792810060912 , 1.1195763000729 , 1.11957629999474 , 8.5279748262824e-05 , 0.0421718621357155 , 0.105000352908315 , 1.11261995848665 , 1.11261995856603 ]. Idistance(0) = 4.60188108189382 Idistance(1) = 17.7825010797209 Idistance(2) = 85.6947708216389 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.072312 seconds *** |--> MPS gauge change = 0.005049 seconds *** |--> Diagram calc = 0.004843 seconds *** |--> Tensor update = 0.062077 seconds *** |--> create = 0.02332 seconds *** |--> destroy = 0.001353 seconds *** |--> disk write = 0.01423 seconds *** |--> disk read = 0.011286 seconds *** |--> calc = 0.011816 seconds *** Disk write bandwidth = 120.375546785785 MB/s *** Disk read bandwidth = 151.776008396395 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 = 0.003289 seconds FCI::matvec : Wall time = 0.003623 seconds FCI::matvec : Wall time = 0.003353 seconds FCI::matvec : Wall time = 0.003763 seconds FCI::matvec : Wall time = 0.003407 seconds FCI::matvec : Wall time = 0.003572 seconds FCI::matvec : Wall time = 0.003536 seconds FCI::matvec : Wall time = 0.003419 seconds FCI::matvec : Wall time = 0.003539 seconds FCI::matvec : Wall time = 0.003353 seconds FCI::matvec : Wall time = 0.003376 seconds FCI::matvec : Wall time = 0.003359 seconds FCI::matvec : Wall time = 0.00322 seconds FCI::matvec : Wall time = 0.003306 seconds FCI::matvec : Wall time = 0.003327 seconds FCI::matvec : Wall time = 0.00316 seconds FCI::matvec : Wall time = 0.003238 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) 2013-2018 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 -98.9190565542485 Stats: nIt(DAVIDSON) = 18 Energy at sites (7, 8) is -105.669207658842 Stats: nIt(DAVIDSON) = 30 Energy at sites (6, 7) is -106.994570996566 Stats: nIt(DAVIDSON) = 10 Energy at sites (5, 6) is -106.99461537788 Stats: nIt(DAVIDSON) = 20 Energy at sites (4, 5) is -106.996839336881 Stats: nIt(DAVIDSON) = 19 Energy at sites (3, 4) is -106.999847137937 Stats: nIt(DAVIDSON) = 14 Energy at sites (2, 3) is -107.007872655459 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007872655459 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.121219 seconds *** |--> S.join = 0.000625 seconds *** |--> S.solve = 0.098671 seconds *** |--> S.split = 0.00182 seconds *** |--> Tensor update = 0.019993 seconds *** |--> create = 0.007426 seconds *** |--> destroy = 0.000536 seconds *** |--> disk write = 0.005456 seconds *** |--> disk read = 0.004591 seconds *** |--> calc = 0.001969 seconds *** Disk write bandwidth = 35.7935505528604 MB/s *** Disk read bandwidth = 42.3015111725046 MB/s *** Minimum energy = -107.007872655459 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007872655459 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007872655459 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007872655459 Stats: nIt(DAVIDSON) = 6 Energy at sites (3, 4) is -107.007873202424 Stats: nIt(DAVIDSON) = 10 Energy at sites (4, 5) is -107.007876091138 Stats: nIt(DAVIDSON) = 10 Energy at sites (5, 6) is -107.0079203375 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -107.007920347715 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920347715 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.053947 seconds *** |--> S.join = 0.001093 seconds *** |--> S.solve = 0.03067 seconds *** |--> S.split = 0.001841 seconds *** |--> Tensor update = 0.020241 seconds *** |--> create = 0.007551 seconds *** |--> destroy = 0.00078 seconds *** |--> disk write = 0.005457 seconds *** |--> disk read = 0.004443 seconds *** |--> calc = 0.001996 seconds *** Disk write bandwidth = 35.5884621207566 MB/s *** Disk read bandwidth = 43.954447854244 MB/s *** Minimum energy = -107.007920347715 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.007920347715 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.007920347715 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920347715 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920347715 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -107.007920347775 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.007920363461 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.007920410895 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.007920596828 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920596828 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.034588 seconds *** |--> S.join = 0.001081 seconds *** |--> S.solve = 0.011899 seconds *** |--> S.split = 0.001821 seconds *** |--> Tensor update = 0.019687 seconds *** |--> create = 0.007368 seconds *** |--> destroy = 0.000506 seconds *** |--> disk write = 0.005342 seconds *** |--> disk read = 0.004496 seconds *** |--> calc = 0.001957 seconds *** Disk write bandwidth = 36.5573964463509 MB/s *** Disk read bandwidth = 43.1953375874041 MB/s *** Minimum energy = -107.007920596828 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007920596828 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920596828 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007920596828 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.007920596943 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.007920596978 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.007920599396 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920599397 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599396 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.032815 seconds *** |--> S.join = 0.001076 seconds *** |--> S.solve = 0.009837 seconds *** |--> S.split = 0.001797 seconds *** |--> Tensor update = 0.020005 seconds *** |--> create = 0.007577 seconds *** |--> destroy = 0.000529 seconds *** |--> disk write = 0.005422 seconds *** |--> disk read = 0.004466 seconds *** |--> calc = 0.001994 seconds *** Disk write bandwidth = 35.8181921418238 MB/s *** Disk read bandwidth = 43.728081463593 MB/s *** Minimum energy = -107.007920599397 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.51681541385551e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 631 *** Minimum energy encountered during all instructions = -107.007920599397 *** Minimum energy encountered during the last sweep = -107.007920599397 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 6 Energy at sites (8, 9) is -107.007920599398 Stats: nIt(DAVIDSON) = 8 Energy at sites (7, 8) is -107.0079205994 Stats: nIt(DAVIDSON) = 14 Energy at sites (6, 7) is -107.007920599402 Stats: nIt(DAVIDSON) = 12 Energy at sites (5, 6) is -107.007920599402 Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.007920599402 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.007920599403 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 = 0.082323 seconds *** |--> S.join = 0.00114 seconds *** |--> S.solve = 0.059272 seconds *** |--> S.split = 0.001806 seconds *** |--> Tensor update = 0.020003 seconds *** |--> create = 0.00768 seconds *** |--> destroy = 0.000504 seconds *** |--> disk write = 0.005296 seconds *** |--> disk read = 0.004508 seconds *** |--> calc = 0.001975 seconds *** Disk write bandwidth = 36.8749267024936 MB/s *** Disk read bandwidth = 43.0803544349975 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) = 10 Energy at sites (4, 5) is -107.007920599438 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.007920599438 Stats: nIt(DAVIDSON) = 7 Energy at sites (6, 7) is -107.007920599439 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599439 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.063953 seconds *** |--> S.join = 0.001039 seconds *** |--> S.solve = 0.041083 seconds *** |--> S.split = 0.001795 seconds *** |--> Tensor update = 0.019932 seconds *** |--> create = 0.00757 seconds *** |--> destroy = 0.00051 seconds *** |--> disk write = 0.005349 seconds *** |--> disk read = 0.004505 seconds *** |--> calc = 0.001979 seconds *** Disk write bandwidth = 36.3070177216244 MB/s *** Disk read bandwidth = 43.3495253754509 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 4.21778167947195e-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 = [ 1.9999976172887 , 1.99817458679026 , 1.99099529643058 ]. NOON of irrep B2g = [ 0.999157310991186 ]. NOON of irrep B3g = [ 0.999157310971573 ]. NOON of irrep B1u = [ 1.99999763398134 , 1.99356772579018 , 0.0151843205238874 ]. NOON of irrep B2u = [ 1.00188409862664 ]. NOON of irrep B3u = [ 1.00188409860565 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624784109263e-05 , 0.0439795113888122 , 0.0191227060732808 , 0.710073263131679 , 0.71007326325759 , 0.000114194275870892 , 0.0501988279645301 , 0.0847680576484653 , 0.709393186437521 , 0.709393186317549 ]. Idistance(0) = 1.96740724138929 Idistance(1) = 7.24682977005817 Idistance(2) = 34.6048709956032 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.05241 seconds *** |--> MPS gauge change = 0.001687 seconds *** |--> Diagram calc = 0.003275 seconds *** |--> Tensor update = 0.047089 seconds *** |--> create = 0.017495 seconds *** |--> destroy = 0.00114 seconds *** |--> disk write = 0.012752 seconds *** |--> disk read = 0.010527 seconds *** |--> calc = 0.00511 seconds *** Disk write bandwidth = 32.0892860479606 MB/s *** Disk read bandwidth = 38.8717180282696 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 = 0.00178 seconds FCI::matvec : Wall time = 0.00199 seconds FCI::matvec : Wall time = 0.001953 seconds FCI::matvec : Wall time = 0.001969 seconds FCI::matvec : Wall time = 0.001944 seconds FCI::matvec : Wall time = 0.001964 seconds FCI::matvec : Wall time = 0.00194 seconds FCI::matvec : Wall time = 0.001946 seconds FCI::matvec : Wall time = 0.001923 seconds FCI::matvec : Wall time = 0.001934 seconds FCI::matvec : Wall time = 0.001938 seconds FCI::matvec : Wall time = 0.001925 seconds FCI::GSDavidson : Converged ground state energy = -107.007920599438 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) 2013-2018 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) = 15 Energy at sites (8, 9) is -104.244375178462 Stats: nIt(DAVIDSON) = 25 Energy at sites (7, 8) is -105.792009725235 Stats: nIt(DAVIDSON) = 44 Energy at sites (6, 7) is -105.903382212311 Stats: nIt(DAVIDSON) = 51 Energy at sites (5, 6) is -105.906785619182 Stats: nIt(DAVIDSON) = 39 Energy at sites (4, 5) is -106.145524637226 Stats: nIt(DAVIDSON) = 39 Energy at sites (3, 4) is -106.175794671398 Stats: nIt(DAVIDSON) = 5 Energy at sites (2, 3) is -106.175794902064 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.175794902064 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.221787 seconds *** |--> S.join = 0.000715 seconds *** |--> S.solve = 0.19902 seconds *** |--> S.split = 0.001871 seconds *** |--> Tensor update = 0.020075 seconds *** |--> create = 0.007577 seconds *** |--> destroy = 0.000513 seconds *** |--> disk write = 0.005477 seconds *** |--> disk read = 0.004532 seconds *** |--> calc = 0.00196 seconds *** Disk write bandwidth = 36.8556729063014 MB/s *** Disk read bandwidth = 44.3016651554226 MB/s *** Minimum energy = -106.175794902064 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.175794902064 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.175794902064 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.175794902064 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -106.175794902088 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -106.17587049781 Stats: nIt(DAVIDSON) = 12 Energy at sites (5, 6) is -106.191397152722 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.19139715276 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19139715276 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.052687 seconds *** |--> S.join = 0.001075 seconds *** |--> S.solve = 0.029648 seconds *** |--> S.split = 0.001826 seconds *** |--> Tensor update = 0.020037 seconds *** |--> create = 0.007709 seconds *** |--> destroy = 0.000498 seconds *** |--> disk write = 0.005332 seconds *** |--> disk read = 0.004509 seconds *** |--> calc = 0.001973 seconds *** Disk write bandwidth = 37.6547536542339 MB/s *** Disk read bandwidth = 44.7679131753854 MB/s *** Minimum energy = -106.19139715276 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 106.19139715276 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.19139715276 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19139715276 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.19139715276 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.19139715276 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -106.191440532075 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -106.191465795012 Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -106.191465800696 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191465800696 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.04116 seconds *** |--> S.join = 0.001096 seconds *** |--> S.solve = 0.01833 seconds *** |--> S.split = 0.001809 seconds *** |--> Tensor update = 0.019822 seconds *** |--> create = 0.007672 seconds *** |--> destroy = 0.000502 seconds *** |--> disk write = 0.005353 seconds *** |--> disk read = 0.004343 seconds *** |--> calc = 0.001935 seconds *** Disk write bandwidth = 37.7094191122385 MB/s *** Disk read bandwidth = 46.2295985457921 MB/s *** Minimum energy = -106.191465800696 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191465800696 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191465800696 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191465800696 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.191465800696 Stats: nIt(DAVIDSON) = 4 Energy at sites (4, 5) is -106.19146581736 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -106.191466547527 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.191466547562 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466547562 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.042091 seconds *** |--> S.join = 0.001183 seconds *** |--> S.solve = 0.019065 seconds *** |--> S.split = 0.001801 seconds *** |--> Tensor update = 0.01994 seconds *** |--> create = 0.007758 seconds *** |--> destroy = 0.000514 seconds *** |--> disk write = 0.005351 seconds *** |--> disk read = 0.004296 seconds *** |--> calc = 0.002005 seconds *** Disk write bandwidth = 37.5210514827836 MB/s *** Disk read bandwidth = 46.9875513286342 MB/s *** Minimum energy = -106.191466547562 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 6.93948018124502e-05 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 621 *** Minimum energy encountered during all instructions = -106.191466547562 *** Minimum energy encountered during the last sweep = -106.191466547562 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 9 Energy at sites (8, 9) is -106.19146654757 Stats: nIt(DAVIDSON) = 10 Energy at sites (7, 8) is -106.191466547571 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -106.191466547571 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -106.191466547575 Stats: nIt(DAVIDSON) = 17 Energy at sites (4, 5) is -106.191466569206 Stats: nIt(DAVIDSON) = 18 Energy at sites (3, 4) is -106.191466574101 Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -106.191466574101 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466574102 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 0.08709 seconds *** |--> S.join = 0.0013 seconds *** |--> S.solve = 0.063789 seconds *** |--> S.split = 0.001816 seconds *** |--> Tensor update = 0.020081 seconds *** |--> create = 0.007858 seconds *** |--> destroy = 0.000507 seconds *** |--> disk write = 0.005363 seconds *** |--> disk read = 0.004388 seconds *** |--> calc = 0.00195 seconds *** Disk write bandwidth = 37.6391050732449 MB/s *** Disk read bandwidth = 45.7555028451174 MB/s *** Minimum energy = -106.191466574102 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466574101 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466574101 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466574102 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -106.191466574101 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -106.191466574103 Stats: nIt(DAVIDSON) = 17 Energy at sites (5, 6) is -106.191466575823 Stats: nIt(DAVIDSON) = 4 Energy at sites (6, 7) is -106.191466575823 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575823 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.067356 seconds *** |--> S.join = 0.001161 seconds *** |--> S.solve = 0.043971 seconds *** |--> S.split = 0.001464 seconds *** |--> Tensor update = 0.01997 seconds *** |--> create = 0.007751 seconds *** |--> destroy = 0.000512 seconds *** |--> disk write = 0.005363 seconds *** |--> disk read = 0.004317 seconds *** |--> calc = 0.002013 seconds *** Disk write bandwidth = 37.4370961186603 MB/s *** Disk read bandwidth = 46.7589808913163 MB/s *** Minimum energy = -106.191466575823 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.82612404589599e-08 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575823 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575823 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575823 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -106.191466575823 Stats: nIt(DAVIDSON) = 15 Energy at sites (4, 5) is -106.191466575929 Stats: nIt(DAVIDSON) = 14 Energy at sites (3, 4) is -106.191466575941 Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -106.191466575941 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575941 ****************************************************************** *** Information on left sweep 1 of instruction 1: *** Elapsed wall time = 0.05275 seconds *** |--> S.join = 0.000841 seconds *** |--> S.solve = 0.029605 seconds *** |--> S.split = 0.000685 seconds *** |--> Tensor update = 0.019872 seconds *** |--> create = 0.007615 seconds *** |--> destroy = 0.000501 seconds *** |--> disk write = 0.005393 seconds *** |--> disk read = 0.004398 seconds *** |--> calc = 0.001947 seconds *** Disk write bandwidth = 37.4297275186005 MB/s *** Disk read bandwidth = 45.6514657763472 MB/s *** Minimum energy = -106.191466575941 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466575941 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575941 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466575941 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -106.191466575941 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -106.191466575941 Stats: nIt(DAVIDSON) = 14 Energy at sites (5, 6) is -106.19146657595 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -106.191466575949 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19146657595 ****************************************************************** *** Information on right sweep 1 of instruction 1: *** Elapsed wall time = 0.057499 seconds *** |--> S.join = 0.000854 seconds *** |--> S.solve = 0.034269 seconds *** |--> S.split = 0.000662 seconds *** |--> Tensor update = 0.019955 seconds *** |--> create = 0.007704 seconds *** |--> destroy = 0.000498 seconds *** |--> disk write = 0.005495 seconds *** |--> disk read = 0.004268 seconds *** |--> calc = 0.001974 seconds *** Disk write bandwidth = 36.5377882592129 MB/s *** Disk read bandwidth = 47.2958108031426 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.26476606965298e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575949 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.19146657595 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -106.19146657595 Stats: nIt(DAVIDSON) = 11 Energy at sites (3, 4) is -106.19146657595 Stats: nIt(DAVIDSON) = 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 = 0.045278 seconds *** |--> S.join = 0.001986 seconds *** |--> S.solve = 0.021578 seconds *** |--> S.split = 0.001897 seconds *** |--> Tensor update = 0.019717 seconds *** |--> create = 0.007563 seconds *** |--> destroy = 0.000521 seconds *** |--> disk write = 0.005287 seconds *** |--> disk read = 0.004352 seconds *** |--> calc = 0.001975 seconds *** Disk write bandwidth = 38.1801627591853 MB/s *** Disk read bandwidth = 46.1339950561524 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.19146657595 Stats: nIt(DAVIDSON) = 5 Energy at sites (4, 5) is -106.19146657595 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.19146657595 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19146657595 ****************************************************************** *** Information on right sweep 2 of instruction 1: *** Elapsed wall time = 0.046627 seconds *** |--> S.join = 0.001121 seconds *** |--> S.solve = 0.02367 seconds *** |--> S.split = 0.001854 seconds *** |--> Tensor update = 0.019875 seconds *** |--> create = 0.007684 seconds *** |--> destroy = 0.00052 seconds *** |--> disk write = 0.005317 seconds *** |--> disk read = 0.004349 seconds *** |--> calc = 0.001989 seconds *** Disk write bandwidth = 37.7609829761849 MB/s *** Disk read bandwidth = 46.4149276863216 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 6.82121026329696e-13 ****************************************************************** *** 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) = -106.191466575951 NOON of irrep Ag = [ 1.99999399659729 , 1.99366325678691 , 1.87190049281007 ]. NOON of irrep B2g = [ 0.58481427090333 ]. NOON of irrep B3g = [ 0.584814292653706 ]. NOON of irrep B1u = [ 1.99999783389176 , 1.12096429123794 , 1.00219410776485 ]. NOON of irrep B2u = [ 1.42082871749901 ]. NOON of irrep B3u = [ 1.42082873985515 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128169545547e-05 , 0.0722109524601019 , 0.46079190549576 , 1.13075778878051 , 1.13075779865998 , 6.17502957345719e-05 , 0.977139014102074 , 0.735936479863883 , 1.12042723862042 , 1.12042722738577 ]. Idistance(0) = 5.65234391919349 Idistance(1) = 19.8382955982736 Idistance(2) = 88.8195401243662 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.05863 seconds *** |--> MPS gauge change = 0.001721 seconds *** |--> Diagram calc = 0.009223 seconds *** |--> Tensor update = 0.047203 seconds *** |--> create = 0.017903 seconds *** |--> destroy = 0.001206 seconds *** |--> disk write = 0.012444 seconds *** |--> disk read = 0.010558 seconds *** |--> calc = 0.005031 seconds *** Disk write bandwidth = 33.9392794171011 MB/s *** Disk read bandwidth = 40.0019315274111 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 = 0.001827 seconds FCI::matvec : Wall time = 0.002003 seconds FCI::matvec : Wall time = 0.00201 seconds FCI::matvec : Wall time = 0.001969 seconds FCI::matvec : Wall time = 0.001996 seconds FCI::matvec : Wall time = 0.001972 seconds FCI::matvec : Wall time = 0.001993 seconds FCI::matvec : Wall time = 0.001958 seconds FCI::matvec : Wall time = 0.001988 seconds FCI::matvec : Wall time = 0.00195 seconds FCI::matvec : Wall time = 0.001974 seconds FCI::matvec : Wall time = 0.001949 seconds FCI::matvec : Wall time = 0.001966 seconds FCI::matvec : Wall time = 0.001941 seconds FCI::matvec : Wall time = 0.001954 seconds FCI::matvec : Wall time = 0.00192 seconds FCI::matvec : Wall time = 0.001937 seconds FCI::matvec : Wall time = 0.001895 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) 2013-2018 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 -102.79804779047 Stats: nIt(DAVIDSON) = 46 Energy at sites (7, 8) is -106.582315970413 Stats: nIt(DAVIDSON) = 32 Energy at sites (6, 7) is -106.778036303502 Stats: nIt(DAVIDSON) = 61 Energy at sites (5, 6) is -107.257167155311 Stats: nIt(DAVIDSON) = 30 Energy at sites (4, 5) is -107.345955372525 Stats: nIt(DAVIDSON) = 17 Energy at sites (3, 4) is -107.346075119807 Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.346077028402 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346077028401 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.470704 seconds *** |--> S.join = 0.000825 seconds *** |--> S.solve = 0.441584 seconds *** |--> S.split = 0.002258 seconds *** |--> Tensor update = 0.025911 seconds *** |--> create = 0.009746 seconds *** |--> destroy = 0.000555 seconds *** |--> disk write = 0.006402 seconds *** |--> disk read = 0.004891 seconds *** |--> calc = 0.004299 seconds *** Disk write bandwidth = 127.895442220205 MB/s *** Disk read bandwidth = 166.665847207403 MB/s *** Minimum energy = -107.346077028402 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346077028401 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346077028401 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346077028402 Stats: nIt(DAVIDSON) = 4 Energy at sites (3, 4) is -107.34607703127 Stats: nIt(DAVIDSON) = 5 Energy at sites (4, 5) is -107.346077084048 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -107.346320892505 Stats: nIt(DAVIDSON) = 5 Energy at sites (6, 7) is -107.34632570682 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.34632570682 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.098808 seconds *** |--> S.join = 0.001179 seconds *** |--> S.solve = 0.068812 seconds *** |--> S.split = 0.002346 seconds *** |--> Tensor update = 0.026343 seconds *** |--> create = 0.010056 seconds *** |--> destroy = 0.000575 seconds *** |--> disk write = 0.006564 seconds *** |--> disk read = 0.004574 seconds *** |--> calc = 0.004556 seconds *** Disk write bandwidth = 124.186876704967 MB/s *** Disk read bandwidth = 179.008880868769 MB/s *** Minimum energy = -107.34632570682 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.34632570682 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.34632570682 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.34632570682 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.34632570682 Stats: nIt(DAVIDSON) = 4 Energy at sites (5, 6) is -107.346325711307 Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -107.346326052963 Stats: nIt(DAVIDSON) = 4 Energy at sites (3, 4) is -107.346326110619 Stats: nIt(DAVIDSON) = 2 Energy at sites (2, 3) is -107.346326110636 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326110636 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.065651 seconds *** |--> S.join = 0.001287 seconds *** |--> S.solve = 0.036293 seconds *** |--> S.split = 0.002084 seconds *** |--> Tensor update = 0.025861 seconds *** |--> create = 0.009743 seconds *** |--> destroy = 0.000563 seconds *** |--> disk write = 0.006246 seconds *** |--> disk read = 0.004697 seconds *** |--> calc = 0.004593 seconds *** Disk write bandwidth = 131.089756819364 MB/s *** Disk read bandwidth = 173.549639917268 MB/s *** Minimum energy = -107.346326110636 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326110636 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326110636 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326110636 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.346326110636 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.346326110666 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.346326114918 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326114918 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326114918 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.051101 seconds *** |--> S.join = 0.001267 seconds *** |--> S.solve = 0.021108 seconds *** |--> S.split = 0.002932 seconds *** |--> Tensor update = 0.02569 seconds *** |--> create = 0.010077 seconds *** |--> destroy = 0.000533 seconds *** |--> disk write = 0.006107 seconds *** |--> disk read = 0.004495 seconds *** |--> calc = 0.004465 seconds *** Disk write bandwidth = 133.480048909678 MB/s *** Disk read bandwidth = 182.154976884038 MB/s *** Minimum energy = -107.346326114918 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 4.08098060233897e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 2128 *** Minimum energy encountered during all instructions = -107.346326114918 *** Minimum energy encountered during the last sweep = -107.346326114918 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 Energy at sites (8, 9) is -107.346326114921 Stats: nIt(DAVIDSON) = 9 Energy at sites (7, 8) is -107.346326114929 Stats: nIt(DAVIDSON) = 13 Energy at sites (6, 7) is -107.346326114935 Stats: nIt(DAVIDSON) = 18 Energy at sites (5, 6) is -107.346326114943 Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.346326115022 Stats: nIt(DAVIDSON) = 13 Energy at sites (3, 4) is -107.346326115023 Stats: nIt(DAVIDSON) = 7 Energy at sites (2, 3) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115023 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 0.181224 seconds *** |--> S.join = 0.001449 seconds *** |--> S.solve = 0.149204 seconds *** |--> S.split = 0.003129 seconds *** |--> Tensor update = 0.027288 seconds *** |--> create = 0.010203 seconds *** |--> destroy = 0.000678 seconds *** |--> disk write = 0.007384 seconds *** |--> disk read = 0.004606 seconds *** |--> calc = 0.004394 seconds *** Disk write bandwidth = 110.886595489403 MB/s *** Disk read bandwidth = 176.978432195268 MB/s *** Minimum energy = -107.346326115023 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115023 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.346326115023 Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -107.346326115023 Stats: nIt(DAVIDSON) = 15 Energy at sites (5, 6) is -107.346326115024 Stats: nIt(DAVIDSON) = 7 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 = 0.121533 seconds *** |--> S.join = 0.001208 seconds *** |--> S.solve = 0.090874 seconds *** |--> S.split = 0.002625 seconds *** |--> Tensor update = 0.026696 seconds *** |--> create = 0.010207 seconds *** |--> destroy = 0.00058 seconds *** |--> disk write = 0.006807 seconds *** |--> disk read = 0.004565 seconds *** |--> calc = 0.004516 seconds *** Disk write bandwidth = 119.753585822155 MB/s *** Disk read bandwidth = 179.361800896769 MB/s *** Minimum energy = -107.346326115024 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.06268771560281e-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) = 6 Energy at sites (5, 6) is -107.346326115025 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.346326115024 Stats: nIt(DAVIDSON) = 7 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 = 0.080305 seconds *** |--> S.join = 0.00125 seconds *** |--> S.solve = 0.050895 seconds *** |--> S.split = 0.002074 seconds *** |--> Tensor update = 0.025975 seconds *** |--> create = 0.00989 seconds *** |--> destroy = 0.000564 seconds *** |--> disk write = 0.006291 seconds *** |--> disk read = 0.004864 seconds *** |--> calc = 0.004355 seconds *** Disk write bandwidth = 130.152061849269 MB/s *** Disk read bandwidth = 167.591007132279 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 -107.346326115025 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.346326115025 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.346326115024 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115025 ****************************************************************** *** Information on right sweep 1 of instruction 1: *** Elapsed wall time = 0.078747 seconds *** |--> S.join = 0.001209 seconds *** |--> S.solve = 0.048688 seconds *** |--> S.split = 0.002453 seconds *** |--> Tensor update = 0.026266 seconds *** |--> create = 0.010196 seconds *** |--> destroy = 0.000564 seconds *** |--> disk write = 0.006623 seconds *** |--> disk read = 0.00439 seconds *** |--> calc = 0.004474 seconds *** Disk write bandwidth = 123.080576580312 MB/s *** Disk read bandwidth = 186.511758791287 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.70530256582424e-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) = -107.346326115024 NOON of irrep Ag = [ 1.99999018535373 , 1.99292175279453 , 1.03221285675815 ]. NOON of irrep B2g = [ 1.02415310259464 ]. NOON of irrep B3g = [ 0.0896934287813394 ]. NOON of irrep B1u = [ 1.99999295584654 , 1.95039154289625 , 0.0159495095251697 ]. NOON of irrep B2u = [ 1.91962159296446 ]. NOON of irrep B3u = [ 1.97507307248517 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322991388471 , 0.0447141465804933 , 0.838966994437926 , 0.790658960223769 , 0.317368561184644 , 9.24989500949427e-05 , 0.227634117119606 , 0.0907424584686672 , 0.299652804885462 , 0.13397929699291 ]. Idistance(0) = 1.57215407911017 Idistance(1) = 5.15805448329691 Idistance(2) = 21.9866409875819 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.0772170000000001 seconds *** |--> MPS gauge change = 0.002287 seconds *** |--> Diagram calc = 0.005123 seconds *** |--> Tensor update = 0.0693290000000001 seconds *** |--> create = 0.0233150000000001 seconds *** |--> destroy = 0.001239 seconds *** |--> disk write = 0.014356 seconds *** |--> disk read = 0.01938 seconds *** |--> calc = 0.010962 seconds *** Disk write bandwidth = 115.691403154876 MB/s *** Disk read bandwidth = 85.6999888385659 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 = 0.002916 seconds FCI::matvec : Wall time = 0.003111 seconds FCI::matvec : Wall time = 0.003111 seconds FCI::matvec : Wall time = 0.003055 seconds FCI::matvec : Wall time = 0.003359 seconds FCI::matvec : Wall time = 0.003061 seconds FCI::matvec : Wall time = 0.003053 seconds FCI::matvec : Wall time = 0.003039 seconds FCI::matvec : Wall time = 0.003023 seconds FCI::matvec : Wall time = 0.003012 seconds FCI::matvec : Wall time = 0.003013 seconds FCI::matvec : Wall time = 0.003019 seconds FCI::matvec : Wall time = 0.002996 seconds FCI::matvec : Wall time = 0.003001 seconds FCI::matvec : Wall time = 0.002963 seconds FCI::matvec : Wall time = 0.002956 seconds FCI::matvec : Wall time = 0.002953 seconds FCI::matvec : Wall time = 0.002944 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) 2013-2018 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) = 15 Energy at sites (8, 9) is -102.747875088237 Stats: nIt(DAVIDSON) = 50 Energy at sites (7, 8) is -106.259157487422 Stats: nIt(DAVIDSON) = 51 Energy at sites (6, 7) is -106.95086102769 Stats: nIt(DAVIDSON) = 58 Energy at sites (5, 6) is -107.181327712316 Stats: nIt(DAVIDSON) = 48 Energy at sites (4, 5) is -107.188130705357 Stats: nIt(DAVIDSON) = 42 Energy at sites (3, 4) is -107.19942768949 Stats: nIt(DAVIDSON) = 12 Energy at sites (2, 3) is -107.199453766806 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199453766806 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.560839 seconds *** |--> S.join = 0.000815 seconds *** |--> S.solve = 0.529761 seconds *** |--> S.split = 0.003628 seconds *** |--> Tensor update = 0.026479 seconds *** |--> create = 0.009732 seconds *** |--> destroy = 0.000703 seconds *** |--> disk write = 0.006999 seconds *** |--> disk read = 0.004795 seconds *** |--> calc = 0.004229 seconds *** Disk write bandwidth = 120.185582803682 MB/s *** Disk read bandwidth = 174.672561343196 MB/s *** Minimum energy = -107.199453766806 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199453766806 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199453766806 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199453766806 Stats: nIt(DAVIDSON) = 6 Energy at sites (3, 4) is -107.199453778104 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.199461077026 Stats: nIt(DAVIDSON) = 15 Energy at sites (5, 6) is -107.199616520292 Stats: nIt(DAVIDSON) = 6 Energy at sites (6, 7) is -107.1996170618 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617061799 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.120654 seconds *** |--> S.join = 0.001237 seconds *** |--> S.solve = 0.088845 seconds *** |--> S.split = 0.002721 seconds *** |--> Tensor update = 0.027701 seconds *** |--> create = 0.010237 seconds *** |--> destroy = 0.000931 seconds *** |--> disk write = 0.007429 seconds *** |--> disk read = 0.004627 seconds *** |--> calc = 0.004452 seconds *** Disk write bandwidth = 112.741274954991 MB/s *** Disk read bandwidth = 181.7979023218 MB/s *** Minimum energy = -107.1996170618 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.199617061799 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.199617061799 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617061799 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.199617061799 Stats: nIt(DAVIDSON) = 4 Energy at sites (5, 6) is -107.199617062159 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.199617355276 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.19961741933 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.199617420508 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617420508 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.072525 seconds *** |--> S.join = 0.001382 seconds *** |--> S.solve = 0.040292 seconds *** |--> S.split = 0.002204 seconds *** |--> Tensor update = 0.028476 seconds *** |--> create = 0.0102 seconds *** |--> destroy = 0.00135 seconds *** |--> disk write = 0.007456 seconds *** |--> disk read = 0.005098 seconds *** |--> calc = 0.004343 seconds *** Disk write bandwidth = 112.819057677437 MB/s *** Disk read bandwidth = 164.290884982469 MB/s *** Minimum energy = -107.199617420508 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199617420508 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617420508 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617420508 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.199617420508 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.19961742056 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.199617421826 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -107.199617421879 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421879 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.055232 seconds *** |--> S.join = 0.001261 seconds *** |--> S.solve = 0.023898 seconds *** |--> S.split = 0.001957 seconds *** |--> Tensor update = 0.028004 seconds *** |--> create = 0.010409 seconds *** |--> destroy = 0.001302 seconds *** |--> disk write = 0.006812 seconds *** |--> disk read = 0.004942 seconds *** |--> calc = 0.004522 seconds *** Disk write bandwidth = 122.952867240256 MB/s *** Disk read bandwidth = 170.210217329617 MB/s *** Minimum energy = -107.199617421879 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 3.60079638994648e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 2254 *** Minimum energy encountered during all instructions = -107.199617421879 *** Minimum energy encountered during the last sweep = -107.199617421879 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 Energy at sites (8, 9) is -107.199617421887 Stats: nIt(DAVIDSON) = 11 Energy at sites (7, 8) is -107.199617421896 Stats: nIt(DAVIDSON) = 17 Energy at sites (6, 7) is -107.199617421902 Stats: nIt(DAVIDSON) = 23 Energy at sites (5, 6) is -107.19961742191 Stats: nIt(DAVIDSON) = 14 Energy at sites (4, 5) is -107.199617421917 Stats: nIt(DAVIDSON) = 13 Energy at sites (3, 4) is -107.199617421919 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 = 0.217226 seconds *** |--> S.join = 0.001522 seconds *** |--> S.solve = 0.183994 seconds *** |--> S.split = 0.002269 seconds *** |--> Tensor update = 0.029256 seconds *** |--> create = 0.010235 seconds *** |--> destroy = 0.001307 seconds *** |--> disk write = 0.008095 seconds *** |--> disk read = 0.005097 seconds *** |--> calc = 0.0045 seconds *** Disk write bandwidth = 103.913390246198 MB/s *** Disk read bandwidth = 164.32311784199 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) = 4 Energy at sites (3, 4) is -107.199617421919 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.199617421919 Stats: nIt(DAVIDSON) = 18 Energy at sites (5, 6) is -107.199617421919 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421919 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.13636 seconds *** |--> S.join = 0.001217 seconds *** |--> S.solve = 0.105443 seconds *** |--> S.split = 0.001998 seconds *** |--> Tensor update = 0.027574 seconds *** |--> create = 0.010225 seconds *** |--> destroy = 0.000901 seconds *** |--> disk write = 0.00713 seconds *** |--> disk read = 0.004878 seconds *** |--> calc = 0.004418 seconds *** Disk write bandwidth = 117.469134872458 MB/s *** Disk read bandwidth = 172.443397712786 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 3.9960923459148e-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 = [ 1.9999881465108 , 1.98924041564151 , 1.87687858060397 ]. NOON of irrep B2g = [ 0.139387810924789 ]. NOON of irrep B3g = [ 1.03112739664192 ]. NOON of irrep B1u = [ 1.99999431244149 , 1.10839163990624 , 0.0211636956903499 ]. NOON of irrep B2u = [ 1.96715797408633 ]. NOON of irrep B3u = [ 1.8666700275526 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980002461548 , 0.081841021716175 , 0.449623196267414 , 0.486645054688969 , 0.811029480090801 , 6.68868117770447e-05 , 0.962046612584431 , 0.112095070444036 , 0.167176148256058 , 0.475082460347909 ]. Idistance(0) = 2.38445938689365 Idistance(1) = 9.57998271605656 Idistance(2) = 47.8783645693465 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.066828 seconds *** |--> MPS gauge change = 0.001781 seconds *** |--> Diagram calc = 0.005177 seconds *** |--> Tensor update = 0.059514 seconds *** |--> create = 0.022854 seconds *** |--> destroy = 0.001231 seconds *** |--> disk write = 0.013987 seconds *** |--> disk read = 0.010757 seconds *** |--> calc = 0.010603 seconds *** Disk write bandwidth = 121.945401414874 MB/s *** Disk read bandwidth = 158.561897331026 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 = 0.002936 seconds FCI::matvec : Wall time = 0.003109 seconds FCI::matvec : Wall time = 0.003101 seconds FCI::matvec : Wall time = 0.003086 seconds FCI::matvec : Wall time = 0.00308 seconds FCI::matvec : Wall time = 0.003057 seconds FCI::matvec : Wall time = 0.003066 seconds FCI::matvec : Wall time = 0.003068 seconds FCI::matvec : Wall time = 0.003046 seconds FCI::matvec : Wall time = 0.003053 seconds FCI::matvec : Wall time = 0.003038 seconds FCI::matvec : Wall time = 0.003034 seconds FCI::matvec : Wall time = 0.00301 seconds FCI::matvec : Wall time = 0.003009 seconds FCI::matvec : Wall time = 0.002995 seconds FCI::matvec : Wall time = 0.002994 seconds FCI::matvec : Wall time = 0.003246 seconds FCI::matvec : Wall time = 0.002968 seconds FCI::matvec : Wall time = 0.002976 seconds FCI::matvec : Wall time = 0.002953 seconds FCI::matvec : Wall time = 0.002933 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-static [ 67%] Built target chemps2-shared 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 test14 [ 71%] Built target chemps2-bin make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' [ 73%] Built target test3 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' [ 76%] Built target test1 [ 78%] Built target test12 [ 80%] Built target test4 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' [ 82%] Built target test6 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 84%] Built target test7 [ 86%] Built target test2 [ 89%] Built target test8 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' 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' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 91%] Built target test13 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' [ 93%] Built target test5 [ 95%] Built target test10 [ 97%] Built target test9 [100%] Built target test11 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/TensorX.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Initialize.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorT.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DIIS.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TwoIndex.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFintegrals.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFindices.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Molden.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h -- Installing: /<>/debian/tmp/usr/include/chemps2/SyBookkeeper.h -- Installing: /<>/debian/tmp/usr/include/chemps2/MyHDF5.h -- Installing: /<>/debian/tmp/usr/include/chemps2/ThreeDM.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorKM.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Tensor.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorF1.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorGYZ.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorO.h -- Installing: /<>/debian/tmp/usr/include/chemps2/CASSCF.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Tensor3RDM.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorL.h -- Installing: /<>/debian/tmp/usr/include/chemps2/FCI.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Cumulant.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Options.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorS0.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TwoDM.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Irreps.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Hamiltonian.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Heff.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRG.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorF0.h -- Installing: /<>/debian/tmp/usr/include/chemps2/ConvergenceScheme.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Excitation.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Problem.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Sobject.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFwtilde.h -- Installing: /<>/debian/tmp/usr/include/chemps2/ConjugateGradient.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Special.h -- Installing: /<>/debian/tmp/usr/include/chemps2/FourIndex.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFrotations.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorQ.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorS1.h -- Installing: /<>/debian/tmp/usr/include/chemps2/MPIchemps2.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Davidson.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorOperator.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Wigner.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Correlations.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFunitary.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Lapack.h -- Installing: /<>/debian/tmp/usr/include/chemps2/CASPT2.h -- Installing: /<>/debian/tmp/usr/include/chemps2/EdmistonRuedenberg.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 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_64-3.8/PyCheMPS2.cpython-38-x86_64-linux-gnu.so -> ../debian/tmp/usr/lib/python3/dist-packages running install_egg_info Writing ../debian/tmp/usr/lib/python3/dist-packages/CheMPS2-1.8.9.egg-info 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 dh_makeshlibs dpkg-gensymbols: warning: debian/libchemps2-3/DEBIAN/symbols doesn't match completely debian/libchemps2-3.symbols --- debian/libchemps2-3.symbols (libchemps2-3_1.8.9-1build4_amd64) +++ dpkg-gensymbolsuPl5Xl 2020-05-13 10:04:44.134567703 +0000 @@ -142,12 +142,12 @@ _ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.8.7 _ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.8.7 _ZN7CheMPS216DMRGSCFintegralsD2Ev@Base 1.8.7 - (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileEiii@Base 1.8.7 +#MISSING: 1.8.9-1build4# (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileEiii@Base 1.8.7 (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileElll@Base 1.8.7 - (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileExxx@Base 1.8.7 - (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEiiPdiii@Base 1.8.7 +#MISSING: 1.8.9-1build4# (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileExxx@Base 1.8.7 +#MISSING: 1.8.9-1build4# (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEiiPdiii@Base 1.8.7 (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEllPdiii@Base 1.8.7 - (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileExxPdiii@Base 1.8.7 +#MISSING: 1.8.9-1build4# (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 @@ -159,12 +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 - (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPiS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 +#MISSING: 1.8.9-1build4# (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPiS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPlS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 - (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPxS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 - (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEiiPdiii@Base 1.8.7 +#MISSING: 1.8.9-1build4# (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPxS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 +#MISSING: 1.8.9-1build4# (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEiiPdiii@Base 1.8.7 (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEllPdiii@Base 1.8.7 - (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileExxPdiii@Base 1.8.7 +#MISSING: 1.8.9-1build4# (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileExxPdiii@Base 1.8.7 _ZN7CheMPS217ConjugateGradient12apply_preconEPd@Base 1.8.7 _ZN7CheMPS217ConjugateGradient12apply_preconEPdS1_@Base 1.8.7 _ZN7CheMPS217ConjugateGradient4stepEPPd@Base 1.8.7 @@ -243,12 +243,12 @@ _ZN7CheMPS24DMRG16symm_4rdm_helperEPdiiddbd@Base 1.8.7 _ZN7CheMPS24DMRG16updateMovingLeftEi@Base 1.8.7 _ZN7CheMPS24DMRG17updateMovingRightEi@Base 1.8.7 - (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 +#MISSING: 1.8.9-1build4# (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 - (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHExiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 - (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 +#MISSING: 1.8.9-1build4# (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHExiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 +#MISSING: 1.8.9-1build4# (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 - (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHExiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.7 +#MISSING: 1.8.9-1build4# (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 dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/python3-chemps2/usr/lib/python3/dist-packages/PyCheMPS2.cpython-38-x86_64-linux-gnu.so was not linked against libpthread.so.0 (it uses none of the library's symbols) dh_installdeb dh_gencontrol dpkg-gencontrol: warning: Depends field of package chemps2-doc: substitution variable ${sphinxdoc:Depends} used, but is not defined dpkg-gencontrol: warning: package chemps2-doc: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-chemps2: substitution variable ${python3:Provides} unused, but is defined dpkg-gencontrol: warning: package python3-chemps2: substitution variable ${python3:Versions} unused, but is defined dpkg-gencontrol: warning: package libchemps2-3: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-chemps2: substitution variable ${python3:Provides} unused, but is defined dpkg-gencontrol: warning: package python3-chemps2: substitution variable ${python3:Versions} unused, but is defined dpkg-gencontrol: warning: package chemps2: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libchemps2-3: substitution variable ${python3:Depends} unused, but is defined 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 dh_md5sums dh_builddeb INFO: pkgstriptranslations version 144 INFO: pkgstriptranslations version 144 INFO: pkgstriptranslations version 144 INFO: pkgstriptranslations version 144 pkgstriptranslations: processing libchemps2-3 (in debian/libchemps2-3); do_strip: , oemstrip: 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: 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/libchemps2-3/DEBIAN/control, package libchemps2-3, directory debian/libchemps2-3 pkgstripfiles: processing control file: debian/chemps2/DEBIAN/control, package chemps2, directory debian/chemps2 .. removing usr/share/doc/libchemps2-3/changelog.gz .. removing usr/share/doc/chemps2/changelog.gz INFO: pkgstripfiles: waiting for lock (chemps2) ... pkgstripfiles: Truncating usr/share/doc/libchemps2-3/changelog.Debian.gz to topmost ten records pkgstripfiles: Running PNG optimization (using 4 cpus) for package libchemps2-3 ... pkgstripfiles: No PNG files. pkgstripfiles: processing control file: debian/libchemps2-dev/DEBIAN/control, package libchemps2-dev, directory debian/libchemps2-dev dpkg-deb: building package 'libchemps2-3' in '../libchemps2-3_1.8.9-1build4_amd64.deb'. .. removing usr/share/doc/libchemps2-dev/changelog.gz Searching for duplicated docs in dependency libchemps2-3... symlinking changelog.Debian.gz in libchemps2-dev to file in libchemps2-3 pkgstripfiles: processing control file: debian/python3-chemps2/DEBIAN/control, package python3-chemps2, directory debian/python3-chemps2 .. removing usr/share/doc/python3-chemps2/changelog.gz pkgstripfiles: Running PNG optimization (using 4 cpus) for package libchemps2-dev ... INFO: pkgstripfiles: waiting for lock (python3-chemps2) ... pkgstripfiles: No PNG files. dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.9-1build4_amd64.deb'. INFO: pkgstriptranslations version 144 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: Truncating usr/share/doc/chemps2-doc/changelog.Debian.gz to topmost ten records pkgstripfiles: Disabled PNG optimization for -doc package chemps2-doc (to save build time) dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.9-1build4_all.deb'. INFO: pkgstriptranslations version 144 pkgstriptranslations: processing libchemps2-3-dbgsym (in debian/.debhelper/libchemps2-3/dbgsym-root); do_strip: , oemstrip: 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_1.8.9-1build4_amd64.deb'. pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " 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_1.8.9-1build4_amd64.deb'. 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_1.8.9-1build4_amd64.deb'. INFO: pkgstriptranslations version 144 pkgstriptranslations: processing chemps2-dbgsym (in debian/.debhelper/chemps2/dbgsym-root); do_strip: , oemstrip: INFO: pkgstriptranslations version 144 pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgstriptranslations: processing python3-chemps2-dbgsym (in debian/.debhelper/python3-chemps2/dbgsym-root); do_strip: , oemstrip: 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_1.8.9-1build4_amd64.deb'. Renaming chemps2-dbgsym_1.8.9-1build4_amd64.deb to chemps2-dbgsym_1.8.9-1build4_amd64.ddeb pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " 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_1.8.9-1build4_amd64.deb'. Renaming libchemps2-3-dbgsym_1.8.9-1build4_amd64.deb to libchemps2-3-dbgsym_1.8.9-1build4_amd64.ddeb Renaming python3-chemps2-dbgsym_1.8.9-1build4_amd64.deb to python3-chemps2-dbgsym_1.8.9-1build4_amd64.ddeb dpkg-genbuildinfo --build=binary dpkg-genchanges --build=binary -mLaunchpad Build Daemon >../chemps2_1.8.9-1build4_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 20200513-1004 Finished -------- I: Built successfully +------------------------------------------------------------------------------+ | Post Build Chroot | +------------------------------------------------------------------------------+ +------------------------------------------------------------------------------+ | Changes | +------------------------------------------------------------------------------+ chemps2_1.8.9-1build4_amd64.changes: ------------------------------------ Format: 1.8 Date: Wed, 13 May 2020 10:07:07 +0000 Source: chemps2 Binary: chemps2 chemps2-doc libchemps2-3 libchemps2-dev python3-chemps2 Architecture: amd64 all Version: 1.8.9-1build4 Distribution: groovy-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 (1.8.9-1build4) groovy; 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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 is the common documentation package. drwxr-xr-x root/root 0 2020-05-13 10:04 ./ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/doc-base/ -rw-r--r-- root/root 282 2018-11-16 10:02 ./usr/share/doc-base/libchemps2-doc drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/doc/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/doc/chemps2-doc/ lrwxrwxrwx root/root 0 2020-05-13 10:04 ./usr/share/doc/chemps2-doc/CHANGELOG.md.gz -> changelog.gz -rw-r--r-- root/root 1060 2020-05-13 10:04 ./usr/share/doc/chemps2-doc/changelog.Debian.gz -rw-r--r-- root/root 1275 2018-11-16 10:02 ./usr/share/doc/chemps2-doc/copyright drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/doc/libchemps2/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/doc/libchemps2/html/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/doc/libchemps2/html/_images/ -rw-r--r-- root/root 6810 2020-05-13 10:04 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root/root 8721 2020-05-13 10:04 ./usr/share/doc/libchemps2/html/symmetry.html lrwxrwxrwx root/root 0 2020-05-13 10:04 ./usr/share/doc/libchemps2/rst -> html/_sources chemps2_1.8.9-1build4_amd64.deb ------------------------------- new debian package, version 2.0. size 25132 bytes: control archive=1360 bytes. 1901 bytes, 39 lines control 182 bytes, 3 lines md5sums Package: chemps2 Version: 1.8.9-1build4 Architecture: amd64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 87 Depends: libc6 (>= 2.14), libchemps2-3 (= 1.8.9-1build4), libgcc-s1 (>= 3.3.1), libstdc++6 (>= 9) Suggests: chemps2-doc Breaks: libchemps2-1 (<< 1.7-1~) Replaces: libchemps2-1 (<< 1.7-1~) Section: science Priority: optional Homepage: 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 2020-05-13 10:04 ./ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/bin/ -rwxr-xr-x root/root 67680 2020-05-13 10:04 ./usr/bin/chemps2 drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/doc/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/doc/chemps2/ lrwxrwxrwx root/root 0 2020-05-13 10:04 ./usr/share/doc/chemps2/CHANGELOG.md.gz -> changelog.gz lrwxrwxrwx root/root 0 2020-05-13 10:04 ./usr/share/doc/chemps2/changelog.Debian.gz -> ../libchemps2-3/changelog.Debian.gz -rw-r--r-- root/root 1275 2018-11-16 10:02 ./usr/share/doc/chemps2/copyright drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/man/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/man/man1/ -rw-r--r-- root/root 3044 2020-05-13 10:04 ./usr/share/man/man1/chemps2.1.gz libchemps2-3_1.8.9-1build4_amd64.deb ------------------------------------ new debian package, version 2.0. size 496260 bytes: control archive=9036 bytes. 1761 bytes, 35 lines control 374 bytes, 5 lines md5sums 26 bytes, 1 lines shlibs 66311 bytes, 1067 lines symbols 70 bytes, 2 lines triggers Package: libchemps2-3 Source: chemps2 Version: 1.8.9-1build4 Architecture: amd64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 1478 Depends: libblas3 | libblas.so.3, libc6 (>= 2.29), 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 2020-05-13 10:04 ./ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/lib/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/lib/x86_64-linux-gnu/ -rw-r--r-- root/root 1419280 2020-05-13 10:04 ./usr/lib/x86_64-linux-gnu/libchemps2.so.3 drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/doc/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/doc/libchemps2-3/ lrwxrwxrwx root/root 0 2020-05-13 10:04 ./usr/share/doc/libchemps2-3/CHANGELOG.md.gz -> changelog.gz -rw-r--r-- root/root 5460 2018-10-29 17:54 ./usr/share/doc/libchemps2-3/FILES.md.gz -rw-r--r-- root/root 2005 2018-10-29 17:54 ./usr/share/doc/libchemps2-3/README.md.gz -rw-r--r-- root/root 1059 2020-05-13 10:04 ./usr/share/doc/libchemps2-3/changelog.Debian.gz -rw-r--r-- root/root 1275 2018-11-16 10:02 ./usr/share/doc/libchemps2-3/copyright libchemps2-dev_1.8.9-1build4_amd64.deb -------------------------------------- new debian package, version 2.0. size 63004 bytes: control archive=2748 bytes. 1731 bytes, 37 lines control 4115 bytes, 60 lines md5sums Package: libchemps2-dev Source: chemps2 Version: 1.8.9-1build4 Architecture: amd64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 497 Depends: libchemps2-3 (= 1.8.9-1build4) 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 2020-05-13 10:04 ./ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/include/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/include/chemps2/ -rw-r--r-- root/root 12630 2018-10-29 17:54 ./usr/include/chemps2/CASPT2.h -rw-r--r-- root/root 31090 2018-10-29 17:54 ./usr/include/chemps2/CASSCF.h -rw-r--r-- root/root 3717 2018-10-29 17:54 ./usr/include/chemps2/ConjugateGradient.h -rw-r--r-- root/root 5460 2018-10-29 17:54 ./usr/include/chemps2/ConvergenceScheme.h -rw-r--r-- root/root 14687 2018-10-29 17:54 ./usr/include/chemps2/Correlations.h -rw-r--r-- root/root 10202 2018-10-29 17:54 ./usr/include/chemps2/Cumulant.h -rw-r--r-- root/root 4326 2018-10-29 17:54 ./usr/include/chemps2/DIIS.h -rw-r--r-- root/root 15416 2018-10-29 17:54 ./usr/include/chemps2/DMRG.h -rw-r--r-- root/root 6579 2018-10-29 17:54 ./usr/include/chemps2/DMRGSCFindices.h 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version 2.0. size 97572 bytes: control archive=1368 bytes. 1837 bytes, 37 lines control 266 bytes, 3 lines md5sums Package: python3-chemps2 Source: chemps2 Version: 1.8.9-1build4 Architecture: amd64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 359 Depends: python3-numpy (>= 1:1.16.0~rc1), python3-numpy-abi9, python3 (<< 3.9), python3 (>= 3.8~), libc6 (>= 2.14), libchemps2-3 (= 1.8.9-1build4), libgcc-s1 (>= 3.0), 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 2020-05-13 10:04 ./ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/lib/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/lib/python3/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/lib/python3/dist-packages/ -rw-r--r-- root/root 795 2020-05-13 10:04 ./usr/lib/python3/dist-packages/CheMPS2-1.8.9.egg-info -rw-r--r-- root/root 349000 2020-05-13 10:04 ./usr/lib/python3/dist-packages/PyCheMPS2.cpython-38-x86_64-linux-gnu.so drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/doc/ drwxr-xr-x root/root 0 2020-05-13 10:04 ./usr/share/doc/python3-chemps2/ lrwxrwxrwx root/root 0 2020-05-13 10:04 ./usr/share/doc/python3-chemps2/CHANGELOG.md.gz -> changelog.gz lrwxrwxrwx root/root 0 2020-05-13 10:04 ./usr/share/doc/python3-chemps2/changelog.Debian.gz -> ../libchemps2-3/changelog.Debian.gz -rw-r--r-- root/root 1275 2018-11-16 10:02 ./usr/share/doc/python3-chemps2/copyright +------------------------------------------------------------------------------+ | Post Build | +------------------------------------------------------------------------------+ +------------------------------------------------------------------------------+ | Cleanup | +------------------------------------------------------------------------------+ Purging /<> Not removing build depends: as requested +------------------------------------------------------------------------------+ | Summary | +------------------------------------------------------------------------------+ Build Architecture: amd64 Build-Space: 105736 Build-Time: 78 Distribution: groovy-proposed Host Architecture: amd64 Install-Time: 26 Job: chemps2_1.8.9-1build4.dsc Machine Architecture: amd64 Package: chemps2 Package-Time: 106 Source-Version: 1.8.9-1build4 Space: 105736 Status: successful Version: 1.8.9-1build4 -------------------------------------------------------------------------------- Finished at 20200513-1004 Build needed 00:01:46, 105736k disc space RUN: /usr/share/launchpad-buildd/bin/in-target scan-for-processes --backend=chroot --series=groovy --arch=amd64 PACKAGEBUILD-19297199 Scanning for processes to kill in build PACKAGEBUILD-19297199