Input buildinfo: https://buildinfos.debian.net/buildinfo-pool/c/chemps2/chemps2_1.8.10-2_all.buildinfo Use metasnap for getting required timestamps New buildinfo file: /tmp/chemps2-1.8.10-2_br05s2i/chemps2_1.8.10-2_all.buildinfo Get source package info: chemps2=1.8.10-2 Source URL: http://snapshot.notset.fr/mr/package/chemps2/1.8.10-2/srcfiles?fileinfo=1 env -i PATH=/usr/sbin:/usr/bin:/sbin:/bin TMPDIR=/tmp mmdebstrap --arch=amd64 --include=autoconf=2.69-14 automake=1:1.16.3-2 autopoint=0.21-4 autotools-dev=20180224.1+nmu1 base-files=11 base-passwd=3.5.49 bash=5.1-2 binutils=2.35.1-7 binutils-common=2.35.1-7 binutils-x86-64-linux-gnu=2.35.1-7 bsdextrautils=2.36.1-7 bsdutils=1:2.36.1-7 build-essential=12.9 bzip2=1.0.8-4 ca-certificates=20210119 cmake=3.18.4-2 cmake-data=3.18.4-2 coreutils=8.32-4+b1 cpp=4:10.2.1-1 cpp-10=10.2.1-6 cython3=0.29.21-3+b1 dash=0.5.11+git20200708+dd9ef66-5 debconf=1.5.74 debhelper=13.3.3 debianutils=4.11.2 dh-autoreconf=20 dh-python=4.20201102 dh-strip-nondeterminism=1.11.0-1 diffutils=1:3.7-5 docutils-common=0.16+dfsg-3 dpkg=1.20.7.1 dpkg-dev=1.20.7.1 dwz=0.13+20210201-1 file=1:5.39-3 findutils=4.8.0-1 fonts-mathjax=2.7.9+dfsg-1 g++=4:10.2.1-1 g++-10=10.2.1-6 gcc=4:10.2.1-1 gcc-10=10.2.1-6 gcc-10-base=10.2.1-6 gettext=0.21-4 gettext-base=0.21-4 grep=3.6-1 groff-base=1.22.4-6 gzip=1.10-2 hdf5-helpers=1.10.6+repack-2 hostname=3.23 init-system-helpers=1.60 intltool-debian=0.35.0+20060710.5 libacl1=2.2.53-10 libaec-dev=1.0.4-1 libaec0=1.0.4-1 libarchive-zip-perl=1.68-1 libarchive13=3.4.3-2 libasan6=10.2.1-6 libatomic1=10.2.1-6 libattr1=1:2.4.48-6 libaudit-common=1:3.0-2 libaudit1=1:3.0-2 libbinutils=2.35.1-7 libblas-dev=3.9.0-3 libblas3=3.9.0-3 libblkid1=2.36.1-7 libbrotli1=1.0.9-2+b2 libbz2-1.0=1.0.8-4 libc-bin=2.31-9 libc-dev-bin=2.31-9 libc6=2.31-9 libc6-dev=2.31-9 libcap-ng0=0.7.9-2.2+b1 libcc1-0=10.2.1-6 libcom-err2=1.46.1-1 libcrypt-dev=1:4.4.17-1 libcrypt1=1:4.4.17-1 libctf-nobfd0=2.35.1-7 libctf0=2.35.1-7 libcurl4=7.74.0-1.1 libdb5.3=5.3.28+dfsg1-0.8 libdebconfclient0=0.256 libdebhelper-perl=13.3.3 libdpkg-perl=1.20.7.1 libelf1=0.183-1 libexpat1=2.2.10-1 libexpat1-dev=2.2.10-1 libffi7=3.3-5 libfile-stripnondeterminism-perl=1.11.0-1 libgcc-10-dev=10.2.1-6 libgcc-s1=10.2.1-6 libgcrypt20=1.8.7-3 libgdbm-compat4=1.19-2 libgdbm6=1.19-2 libgfortran5=10.2.1-6 libgmp10=2:6.2.1+dfsg-1 libgnutls30=3.7.0-7 libgomp1=10.2.1-6 libgpg-error0=1.38-2 libgssapi-krb5-2=1.18.3-4 libhdf5-103-1=1.10.6+repack-2 libhdf5-cpp-103-1=1.10.6+repack-2 libhdf5-dev=1.10.6+repack-2 libhdf5-fortran-102=1.10.6+repack-2 libhdf5-hl-100=1.10.6+repack-2 libhdf5-hl-cpp-100=1.10.6+repack-2 libhdf5-hl-fortran-100=1.10.6+repack-2 libhogweed6=3.7-2 libicu67=67.1-6 libidn2-0=2.3.0-5 libisl23=0.23-1 libitm1=10.2.1-6 libjpeg-dev=1:2.0.6-1 libjpeg62-turbo=1:2.0.6-1 libjpeg62-turbo-dev=1:2.0.6-1 libjs-jquery=3.5.1+dfsg+~3.5.5-7 libjs-mathjax=2.7.9+dfsg-1 libjs-sphinxdoc=3.4.3-1 libjs-underscore=1.9.1~dfsg-1 libjsoncpp24=1.9.4-4 libk5crypto3=1.18.3-4 libkeyutils1=1.6.1-2 libkrb5-3=1.18.3-4 libkrb5support0=1.18.3-4 liblapack-dev=3.9.0-3 liblapack3=3.9.0-3 libldap-2.4-2=2.4.57+dfsg-2 liblsan0=10.2.1-6 liblz4-1=1.9.3-1 liblzma5=5.2.5-1.0 libmagic-mgc=1:5.39-3 libmagic1=1:5.39-3 libmount1=2.36.1-7 libmpc3=1.2.0-1 libmpdec3=2.5.1-1 libmpfr6=4.1.0-3 libncurses6=6.2+20201114-2 libncursesw6=6.2+20201114-2 libnettle8=3.7-2 libnghttp2-14=1.43.0-1 libnsl-dev=1.3.0-2 libnsl2=1.3.0-2 libp11-kit0=0.23.22-1 libpam-modules=1.4.0-4 libpam-modules-bin=1.4.0-4 libpam-runtime=1.4.0-4 libpam0g=1.4.0-4 libpcre2-8-0=10.36-2 libpcre3=2:8.39-13 libperl5.32=5.32.1-2 libpipeline1=1.5.3-1 libprocps8=2:3.3.17-4 libpsl5=0.21.0-1.2 libpython3-dev=3.9.1-1 libpython3-stdlib=3.9.1-1 libpython3.9=3.9.1-4 libpython3.9-dev=3.9.1-4 libpython3.9-minimal=3.9.1-4 libpython3.9-stdlib=3.9.1-4 libquadmath0=10.2.1-6 libreadline8=8.1-1 librhash0=1.4.1-1 librtmp1=2.4+20151223.gitfa8646d.1-2+b2 libsasl2-2=2.1.27+dfsg-2.1 libsasl2-modules-db=2.1.27+dfsg-2.1 libseccomp2=2.5.1-1 libselinux1=3.1-3 libsigsegv2=2.13-1 libsmartcols1=2.36.1-7 libsqlite3-0=3.34.1-2 libssh2-1=1.9.0-2 libssl1.1=1.1.1j-1 libstdc++-10-dev=10.2.1-6 libstdc++6=10.2.1-6 libsub-override-perl=0.09-2 libsystemd0=247.3-1 libsz2=1.0.4-1 libtasn1-6=4.16.0-2 libtinfo6=6.2+20201114-2 libtirpc-common=1.3.1-1 libtirpc-dev=1.3.1-1 libtirpc3=1.3.1-1 libtool=2.4.6-15 libtsan0=10.2.1-6 libubsan1=10.2.1-6 libuchardet0=0.0.7-1 libudev1=247.3-1 libunistring2=0.9.10-4 libuuid1=2.36.1-7 libuv1=1.40.0-1 libxml2=2.9.10+dfsg-6.3+b1 libzstd1=1.4.8+dfsg-1 linux-libc-dev=5.10.13-1 login=1:4.8.1-1 lsb-base=11.1.0 m4=1.4.18-5 make=4.3-4 man-db=2.9.4-2 mawk=1.3.4.20200120-2 media-types=4.0.0 ncurses-base=6.2+20201114-2 ncurses-bin=6.2+20201114-2 openssl=1.1.1j-1 patch=2.7.6-7 perl=5.32.1-2 perl-base=5.32.1-2 perl-modules-5.32=5.32.1-2 po-debconf=1.0.21+nmu1 procps=2:3.3.17-4 python-babel-localedata=2.8.0+dfsg.1-6 python3=3.9.1-1 python3-alabaster=0.7.8-1.1 python3-all=3.9.1-1 python3-babel=2.8.0+dfsg.1-6 python3-certifi=2020.6.20-1 python3-chardet=4.0.0-1 python3-distutils=3.9.2-1 python3-docutils=0.16+dfsg-3 python3-idna=2.10-1 python3-imagesize=1.2.0-2 python3-jinja2=2.11.2-1 python3-lib2to3=3.9.2-1 python3-markupsafe=1.1.1-1+b3 python3-minimal=3.9.1-1 python3-numpy=1:1.19.5-1 python3-packaging=20.9-2 python3-pkg-resources=52.0.0-1 python3-pygments=2.7.1+dfsg-1 python3-pyparsing=2.4.7-1 python3-requests=2.25.1+dfsg-2 python3-roman=2.0.0-5 python3-setuptools=52.0.0-1 python3-six=1.15.0-2 python3-snowballstemmer=2.1.0-1 python3-sphinx=3.4.3-1 python3-tz=2021.1-1 python3-urllib3=1.26.2-1 python3.9=3.9.1-4 python3.9-minimal=3.9.1-4 readline-common=8.1-1 sed=4.7-1 sensible-utils=0.0.14 sgml-base=1.30 sphinx-common=3.4.3-1 sysvinit-utils=2.96-5 tar=1.34+dfsg-1 tzdata=2021a-1 util-linux=2.36.1-7 xml-core=0.18+nmu1 xz-utils=5.2.5-1.0 zlib1g=1:1.2.11.dfsg-2 zlib1g-dev=1:1.2.11.dfsg-2 --variant=apt --aptopt=Acquire::Check-Valid-Until "false" --aptopt=Acquire::http::Dl-Limit "1000"; --aptopt=Acquire::https::Dl-Limit "1000"; --aptopt=Acquire::Retries "5"; --aptopt=APT::Get::allow-downgrades "true"; --keyring=/usr/share/keyrings/ --essential-hook=chroot "$1" sh -c "apt-get --yes install fakeroot util-linux" --essential-hook=copy-in /usr/share/keyrings/debian-archive-bullseye-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-security-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-stable.gpg /usr/share/keyrings/debian-archive-buster-automatic.gpg /usr/share/keyrings/debian-archive-buster-security-automatic.gpg /usr/share/keyrings/debian-archive-buster-stable.gpg /usr/share/keyrings/debian-archive-keyring.gpg /usr/share/keyrings/debian-archive-removed-keys.gpg /usr/share/keyrings/debian-archive-stretch-automatic.gpg /usr/share/keyrings/debian-archive-stretch-security-automatic.gpg /usr/share/keyrings/debian-archive-stretch-stable.gpg /usr/share/keyrings/debian-ports-archive-keyring-removed.gpg /usr/share/keyrings/debian-ports-archive-keyring.gpg /usr/share/keyrings/debian-keyring.gpg /etc/apt/trusted.gpg.d/ --essential-hook=chroot "$1" sh -c "rm /etc/apt/sources.list && echo 'deb http://snapshot.notset.fr/archive/debian/20210814T212851Z/ bookworm main deb-src http://snapshot.notset.fr/archive/debian/20210814T212851Z/ bookworm main deb http://snapshot.notset.fr/archive/debian/20210902T205533Z/ unstable main deb http://snapshot.notset.fr/archive/debian/20210218T111050Z/ unstable main' >> /etc/apt/sources.list && apt-get update" --customize-hook=chroot "$1" useradd --no-create-home -d /nonexistent -p "" builduser -s /bin/bash --customize-hook=chroot "$1" env sh -c "apt-get source --only-source -d chemps2=1.8.10-2 && mkdir -p /build/chemps2-DTqEha && dpkg-source --no-check -x /*.dsc /build/chemps2-DTqEha/chemps2-1.8.10 && chown -R builduser:builduser /build/chemps2-DTqEha" --customize-hook=chroot "$1" env --unset=TMPDIR runuser builduser -c "cd /build/chemps2-DTqEha/chemps2-1.8.10 && env DEB_BUILD_OPTIONS="parallel=4" LC_ALL="C.UTF-8" SOURCE_DATE_EPOCH="1613980992" dpkg-buildpackage -uc -a amd64 --build=all" --customize-hook=sync-out /build/chemps2-DTqEha /tmp/chemps2-1.8.10-2_br05s2i bullseye /dev/null deb http://snapshot.notset.fr/archive/debian/20210218T111050Z unstable main I: automatically chosen mode: root I: chroot architecture amd64 is equal to the host's architecture I: automatically chosen format: tar I: using /tmp/mmdebstrap.gPWWa61JP5 as tempdir I: running apt-get update... I: downloading packages with apt... I: extracting archives... I: installing essential packages... I: running --essential-hook in shell: sh -c 'chroot "$1" sh -c "apt-get --yes install fakeroot util-linux"' exec /tmp/mmdebstrap.gPWWa61JP5 Reading package lists... Building dependency tree... util-linux is already the newest version (2.36.1-7). The following NEW packages will be installed: fakeroot libfakeroot 0 upgraded, 2 newly installed, 0 to remove and 0 not upgraded. Need to get 134 kB of archives. After this operation, 397 kB of additional disk space will be used. Get:1 http://snapshot.notset.fr/archive/debian/20210218T111050Z unstable/main amd64 libfakeroot amd64 1.25.3-1.1 [47.0 kB] Get:2 http://snapshot.notset.fr/archive/debian/20210218T111050Z unstable/main amd64 fakeroot amd64 1.25.3-1.1 [87.0 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 134 kB in 0s (1096 kB/s) Selecting previously unselected package libfakeroot:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 4662 files and directories currently installed.) Preparing to unpack .../libfakeroot_1.25.3-1.1_amd64.deb ... Unpacking libfakeroot:amd64 (1.25.3-1.1) ... Selecting previously unselected package fakeroot. Preparing to unpack .../fakeroot_1.25.3-1.1_amd64.deb ... Unpacking fakeroot (1.25.3-1.1) ... Setting up libfakeroot:amd64 (1.25.3-1.1) ... Setting up fakeroot (1.25.3-1.1) ... update-alternatives: using /usr/bin/fakeroot-sysv to provide /usr/bin/fakeroot (fakeroot) in auto mode Processing triggers for libc-bin (2.31-9) ... I: running special hook: copy-in /usr/share/keyrings/debian-archive-bullseye-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-security-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-stable.gpg /usr/share/keyrings/debian-archive-buster-automatic.gpg /usr/share/keyrings/debian-archive-buster-security-automatic.gpg /usr/share/keyrings/debian-archive-buster-stable.gpg /usr/share/keyrings/debian-archive-keyring.gpg /usr/share/keyrings/debian-archive-removed-keys.gpg /usr/share/keyrings/debian-archive-stretch-automatic.gpg /usr/share/keyrings/debian-archive-stretch-security-automatic.gpg /usr/share/keyrings/debian-archive-stretch-stable.gpg /usr/share/keyrings/debian-ports-archive-keyring-removed.gpg /usr/share/keyrings/debian-ports-archive-keyring.gpg /usr/share/keyrings/debian-keyring.gpg /etc/apt/trusted.gpg.d/ I: running --essential-hook in shell: sh -c 'chroot "$1" sh -c "rm /etc/apt/sources.list && echo 'deb http://snapshot.notset.fr/archive/debian/20210814T212851Z/ bookworm main deb-src http://snapshot.notset.fr/archive/debian/20210814T212851Z/ bookworm main deb http://snapshot.notset.fr/archive/debian/20210902T205533Z/ unstable main deb http://snapshot.notset.fr/archive/debian/20210218T111050Z/ unstable main' >> /etc/apt/sources.list && apt-get update"' exec /tmp/mmdebstrap.gPWWa61JP5 Get:1 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm InRelease [81.6 kB] Get:2 http://snapshot.notset.fr/archive/debian/20210902T205533Z unstable InRelease [165 kB] Hit:3 http://snapshot.notset.fr/archive/debian/20210218T111050Z unstable InRelease Ign:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main Sources Ign:5 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amd64 Packages Ign:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main Sources Ign:5 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amd64 Packages Ign:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main Sources Ign:5 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amd64 Packages Get:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main Sources [11.4 MB] Get:5 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amd64 Packages [11.1 MB] Ign:6 http://snapshot.notset.fr/archive/debian/20210902T205533Z unstable/main amd64 Packages Ign:6 http://snapshot.notset.fr/archive/debian/20210902T205533Z unstable/main amd64 Packages Ign:6 http://snapshot.notset.fr/archive/debian/20210902T205533Z unstable/main amd64 Packages Get:6 http://snapshot.notset.fr/archive/debian/20210902T205533Z unstable/main amd64 Packages [11.9 MB] Fetched 34.6 MB in 30s (1161 kB/s) Reading package lists... I: installing remaining packages inside the chroot... I: running --customize-hook in shell: sh -c 'chroot "$1" useradd --no-create-home -d /nonexistent -p "" builduser -s /bin/bash' exec /tmp/mmdebstrap.gPWWa61JP5 I: running --customize-hook in shell: sh -c 'chroot "$1" env sh -c "apt-get source --only-source -d chemps2=1.8.10-2 && mkdir -p /build/chemps2-DTqEha && dpkg-source --no-check -x /*.dsc /build/chemps2-DTqEha/chemps2-1.8.10 && chown -R builduser:builduser /build/chemps2-DTqEha"' exec /tmp/mmdebstrap.gPWWa61JP5 Reading package lists... NOTICE: 'chemps2' packaging is maintained in the 'Git' version control system at: https://salsa.debian.org/debichem-team/chemps2.git Please use: git clone https://salsa.debian.org/debichem-team/chemps2.git to retrieve the latest (possibly unreleased) updates to the package. Need to get 1267 kB of source archives. Get:1 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main chemps2 1.8.10-2 (dsc) [2564 B] Get:2 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main chemps2 1.8.10-2 (tar) [1250 kB] Get:3 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main chemps2 1.8.10-2 (diff) [14.6 kB] Fetched 1267 kB in 1s (1221 kB/s) Download complete and in download only mode W: Download is performed unsandboxed as root as file 'chemps2_1.8.10-2.dsc' couldn't be accessed by user '_apt'. - pkgAcquire::Run (13: Permission denied) dpkg-source: info: extracting chemps2 in /build/chemps2-DTqEha/chemps2-1.8.10 dpkg-source: info: unpacking chemps2_1.8.10.orig.tar.gz dpkg-source: info: unpacking chemps2_1.8.10-2.debian.tar.xz I: running --customize-hook in shell: sh -c 'chroot "$1" env --unset=TMPDIR runuser builduser -c "cd /build/chemps2-DTqEha/chemps2-1.8.10 && env DEB_BUILD_OPTIONS="parallel=4" LC_ALL="C.UTF-8" SOURCE_DATE_EPOCH="1613980992" dpkg-buildpackage -uc -a amd64 --build=all"' exec /tmp/mmdebstrap.gPWWa61JP5 dpkg-buildpackage: info: source package chemps2 dpkg-buildpackage: info: source version 1.8.10-2 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Michael Banck dpkg-source --before-build . fakeroot debian/rules clean dh clean --with python3 debian/rules override_dh_clean make[1]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10' dh_clean rm -rf build-sphinx PyCheMPS2/build PyCheMPS2/PyCheMPS2.cpp PyCheMPS2/*.pyc make[1]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10' debian/rules build-indep dh build-indep --with python3 dh_update_autotools_config -i dh_autoreconf -i debian/rules override_dh_auto_configure make[1]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10' 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_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 10.2.1 -- The CXX compiler identification is GNU 10.2.1 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/cc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/c++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- The CMake build type is release -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- Performing Test HAS_IPO -- Performing Test HAS_IPO - Failed -- Performing Test HAS_FLTO -- Performing Test HAS_FLTO - Success -- 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 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_EXPORT_NO_PACKAGE_REGISTRY -- Build files have been written to: /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu make[1]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10' debian/rules override_dh_auto_build make[1]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10' dh_auto_build -- VERBOSE=1 cd obj-x86_64-linux-gnu && make -j4 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1 make[2]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/chemps2-DTqEha/chemps2-1.8.10 -B/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CMakeFiles /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[3]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-base.dir/build.make CheMPS2/CMakeFiles/chemps2-base.dir/depend make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2 /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-base.dir/DependInfo.cmake --color= Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-base.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-base.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-base.dir/depend.internal". Scanning dependencies of target chemps2-base make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-base.dir/build.make CheMPS2/CMakeFiles/chemps2-base.dir/build make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/CASPT2.cpp [ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/CASSCFnewtonraphson.cpp [ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o [ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/CASSCFdebug.cpp cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/CASSCF.cpp [ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/CASSCFpt2.cpp [ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/ConjugateGradient.cpp [ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/ConvergenceScheme.cpp [ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Correlations.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/Correlations.cpp [ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/Cumulant.cpp [ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Davidson.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/Davidson.cpp [ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DIIS.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/DIIS.cpp [ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRG.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/DMRG.cpp [ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/DMRGfock.cpp [ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/DMRGmpsio.cpp [ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/DMRGoperators.cpp [ 17%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/DMRGoperators3RDM.cpp [ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/DMRGSCFindices.cpp [ 19%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/DMRGSCFintegrals.cpp [ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/DMRGSCFmatrix.cpp [ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/DMRGSCFoptions.cpp [ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/DMRGSCFrotations.cpp [ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/DMRGSCFunitary.cpp [ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/DMRGSCFwtilde.cpp [ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/DMRGtechnics.cpp [ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/EdmistonRuedenberg.cpp [ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Excitation.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/Excitation.cpp [ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/FCI.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/FCI.cpp [ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/FourIndex.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/FourIndex.cpp [ 31%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/Hamiltonian.cpp [ 32%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Heff.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/Heff.cpp [ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/HeffDiagonal.cpp [ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/HeffDiagrams1.cpp [ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/HeffDiagrams2.cpp [ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/HeffDiagrams3.cpp [ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o [ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o [ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o [ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Initialize.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/Initialize.cpp cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/HeffDiagrams4.cpp cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/HeffDiagrams5.cpp cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Irreps.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/Irreps.cpp [ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Molden.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/Molden.cpp [ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/PrintLicense.cpp [ 44%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Problem.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/Problem.cpp [ 45%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Sobject.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/Sobject.cpp [ 46%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/SyBookkeeper.cpp [ 47%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/Tensor3RDM.cpp [ 48%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorF0.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/TensorF0.cpp [ 50%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorF1.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/TensorF1.cpp [ 51%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/TensorGYZ.cpp [ 52%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorKM.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/TensorKM.cpp [ 53%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorL.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/TensorL.cpp [ 54%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorO.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/TensorO.cpp [ 55%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/TensorOperator.cpp [ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorQ.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/TensorQ.cpp [ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorS0.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/TensorS0.cpp [ 58%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorS1.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/TensorS1.cpp [ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorT.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/TensorT.cpp [ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TensorX.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/TensorX.cpp [ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/ThreeDM.cpp [ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/TwoDM.cpp [ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/TwoIndex.cpp [ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/Wigner.cpp make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/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 '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2 /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2 /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake --color= Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/depend.internal". Scanning dependencies of target chemps2-shared make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/depend.internal". Scanning dependencies of target chemps2-static make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/build make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 66%] Linking CXX shared library libchemps2.so cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-shared.dir/link.txt --verbose=1 [ 67%] Linking CXX static library libchemps2.a cd /build/chemps2-DTqEha/chemps2-1.8.10/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 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libchemps2.so.3 -o libchemps2.so.3 CMakeFiles/chemps2-base.dir/CASPT2.cpp.o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o CMakeFiles/chemps2-base.dir/Correlations.cpp.o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o CMakeFiles/chemps2-base.dir/Davidson.cpp.o CMakeFiles/chemps2-base.dir/DIIS.cpp.o CMakeFiles/chemps2-base.dir/DMRG.cpp.o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o CMakeFiles/chemps2-base.dir/Excitation.cpp.o CMakeFiles/chemps2-base.dir/FCI.cpp.o CMakeFiles/chemps2-base.dir/FourIndex.cpp.o CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o CMakeFiles/chemps2-base.dir/Heff.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o CMakeFiles/chemps2-base.dir/Initialize.cpp.o CMakeFiles/chemps2-base.dir/Irreps.cpp.o CMakeFiles/chemps2-base.dir/Molden.cpp.o CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o CMakeFiles/chemps2-base.dir/Problem.cpp.o CMakeFiles/chemps2-base.dir/Sobject.cpp.o CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o CMakeFiles/chemps2-base.dir/TensorF0.cpp.o CMakeFiles/chemps2-base.dir/TensorF1.cpp.o CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o CMakeFiles/chemps2-base.dir/TensorKM.cpp.o CMakeFiles/chemps2-base.dir/TensorL.cpp.o CMakeFiles/chemps2-base.dir/TensorO.cpp.o CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o CMakeFiles/chemps2-base.dir/TensorQ.cpp.o CMakeFiles/chemps2-base.dir/TensorS0.cpp.o CMakeFiles/chemps2-base.dir/TensorS1.cpp.o CMakeFiles/chemps2-base.dir/TensorT.cpp.o CMakeFiles/chemps2-base.dir/TensorX.cpp.o CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -Wl,-rpath,/usr/lib/x86_64-linux-gnu/hdf5/serial: -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-static.dir/link.txt --verbose=1 /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 '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 67%] Built target chemps2-static cd /build/chemps2-DTqEha/chemps2-1.8.10/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 '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 67%] Built target chemps2-shared make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/depend make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/depend make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2 /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake --color= make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/depend make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake --color= make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/depend make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake --color= Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test14.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/depend.internal". Scanning dependencies of target test14 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test14.dir/build.make tests/CMakeFiles/test14.dir/build Scanning dependencies of target test3 make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' Scanning dependencies of target chemps2-bin make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build Scanning dependencies of target test1 make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 68%] Building CXX object tests/CMakeFiles/test14.dir/tests/test14.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test14.dir/tests/test14.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test14.cpp [ 69%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test1.dir/tests/test1.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test1.cpp [ 70%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/chemps2-bin.dir/executable.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/executable.cpp [ 71%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test3.dir/tests/test3.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test3.cpp [ 72%] Linking CXX executable test14 cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test14.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test14.dir/tests/test14.cpp.o -o test14 -Wl,-rpath,/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm [ 73%] Linking CXX executable test1 cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test1.dir/link.txt --verbose=1 [ 75%] Linking CXX executable test3 cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -Wl,-rpath,/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test3.dir/tests/test3.cpp.o -o test3 -Wl,-rpath,/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 75%] Built target test14 make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/depend make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake --color= Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/depend.internal". Scanning dependencies of target test4 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/build make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 76%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test4.dir/tests/test4.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test4.cpp make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 76%] Built target test3 make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/depend make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake --color= Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test12.dir/depend.internal". make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' Scanning dependencies of target test12 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test12.dir/build.make tests/CMakeFiles/test12.dir/build make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 76%] Built target test1 make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend [ 77%] Building CXX object tests/CMakeFiles/test12.dir/tests/test12.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test12.dir/tests/test12.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test12.cpp make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake --color= Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/depend.internal". Scanning dependencies of target test6 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/build make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 78%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test6.dir/tests/test6.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test6.cpp [ 79%] Linking CXX executable chemps2 cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-bin.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/chemps2-bin.dir/executable.cpp.o -o chemps2 -Wl,-rpath,/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial: libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm [ 80%] Linking CXX executable test4 cd /build/chemps2-DTqEha/chemps2-1.8.10/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 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test4.dir/tests/test4.cpp.o -o test4 -Wl,-rpath,/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm [ 81%] Linking CXX executable test6 cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test6.dir/link.txt --verbose=1 [ 82%] Linking CXX executable test12 cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test12.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test6.dir/tests/test6.cpp.o -o test6 -Wl,-rpath,/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test12.dir/tests/test12.cpp.o -o test12 -Wl,-rpath,/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/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 '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/DependInfo.cmake --color= Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/depend.internal". Scanning dependencies of target test2 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/build make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 83%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test2.dir/tests/test2.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test2.cpp make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 83%] Built target test6 [ 83%] Built target test12 make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/depend make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/depend make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake --color= cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake --color= Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/depend.internal". Scanning dependencies of target test7 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.dir/build make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' Scanning dependencies of target test8 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/build make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 84%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test7.dir/tests/test7.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test7.cpp [ 85%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test8.dir/tests/test8.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test8.cpp [ 86%] Linking CXX executable test2 cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test2.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test2.dir/tests/test2.cpp.o -o test2 -Wl,-rpath,/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm [ 88%] Linking CXX executable test8 cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test8.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test8.dir/tests/test8.cpp.o -o test8 -Wl,-rpath,/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm [ 89%] Linking CXX executable test7 cd /build/chemps2-DTqEha/chemps2-1.8.10/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 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test7.dir/tests/test7.cpp.o -o test7 -Wl,-rpath,/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/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 '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake --color= Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test13.dir/depend.internal". Scanning dependencies of target test13 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test13.dir/build.make tests/CMakeFiles/test13.dir/build make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 90%] Building CXX object tests/CMakeFiles/test13.dir/tests/test13.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test13.dir/tests/test13.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test13.cpp make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/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 '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake --color= Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/depend.internal". Scanning dependencies of target test5 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 91%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test5.dir/tests/test5.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test5.cpp make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 91%] Built target test7 make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/depend make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake --color= Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test9.dir/depend.internal". Scanning dependencies of target test9 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test9.dir/build.make tests/CMakeFiles/test9.dir/build make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 92%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -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 /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test9.cpp [ 93%] Linking CXX executable test13 cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test13.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test13.dir/tests/test13.cpp.o -o test13 -Wl,-rpath,/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm [ 94%] Linking CXX executable test5 cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test5.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test5.dir/tests/test5.cpp.o -o test5 -Wl,-rpath,/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm [ 95%] Linking CXX executable test9 cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test9.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test9.dir/tests/test9.cpp.o -o test9 -Wl,-rpath,/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/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 '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake --color= Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test10.dir/depend.internal". Scanning dependencies of target test10 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test10.dir/build.make tests/CMakeFiles/test10.dir/build make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 96%] Building CXX object tests/CMakeFiles/test10.dir/tests/test10.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -o CMakeFiles/test10.dir/tests/test10.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test10.cpp [ 96%] Built target chemps2-bin make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/depend make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/chemps2-DTqEha/chemps2-1.8.10 /build/chemps2-DTqEha/chemps2-1.8.10/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test11.dir/DependInfo.cmake --color= Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test11.dir/DependInfo.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test11.dir/depend.internal". Dependee "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/CMakeFiles/test11.dir/depend.internal". Scanning dependencies of target test11 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make -f tests/CMakeFiles/test11.dir/build.make tests/CMakeFiles/test11.dir/build make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 97%] Building CXX object tests/CMakeFiles/test11.dir/tests/test11.cpp.o cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.10 (2021-02-01)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -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 /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test11.cpp make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 97%] Built target test5 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 97%] Built target test9 [ 98%] Linking CXX executable test10 cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test10.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test10.dir/tests/test10.cpp.o -o test10 -Wl,-rpath,/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm [100%] Linking CXX executable test11 cd /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test11.dir/link.txt --verbose=1 /usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test11.dir/tests/test11.cpp.o -o test11 -Wl,-rpath,/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lpthread -lsz -lz -ldl -lm make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [100%] Built target test10 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [100%] Built target test11 make[3]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/CMakeFiles 0 make[2]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' cd PyCheMPS2 && CPATH=../CheMPS2/include:/usr/include/hdf5/serial python3 setup.py build_ext -L ../obj-x86_64-linux-gnu/CheMPS2 running build_ext cythoning PyCheMPS2.pyx to PyCheMPS2.cpp /usr/lib/python3/dist-packages/Cython/Compiler/Main.py:369: FutureWarning: Cython directive 'language_level' not set, using 2 for now (Py2). This will change in a later release! File: /build/chemps2-DTqEha/chemps2-1.8.10/PyCheMPS2/PyCheMPS2.pyx tree = Parsing.p_module(s, pxd, full_module_name) building 'PyCheMPS2' extension creating build creating build/temp.linux-x86_64-3.9 x86_64-linux-gnu-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/build/python3.9-euU3fN/python3.9-3.9.1=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -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/python3.9 -c PyCheMPS2.cpp -o build/temp.linux-x86_64-3.9/PyCheMPS2.o In file included from /usr/lib/python3/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1822, 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:624: /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_64-3.9 x86_64-linux-gnu-g++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,-z,relro -Wl,-z,now -g -O2 -ffile-prefix-map=/build/chemps2-DTqEha/chemps2-1.8.10=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-x86_64-3.9/PyCheMPS2.o -L../obj-x86_64-linux-gnu/CheMPS2 -lchemps2 -o build/lib.linux-x86_64-3.9/PyCheMPS2.cpython-39-x86_64-linux-gnu.so make[1]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10' debian/rules execute_after_dh_auto_build-indep make[1]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10' # 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 v3.4.3 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... genindex done writing additional pages... search done copying images... [ 12%] handson_orbitals.png copying images... [ 25%] handson_comparison.png copying images... [ 37%] ExtrapolationN2reorder.png copying images... [ 50%] Comparison.png copying images... [ 62%] ComparisonN2.png copying images... [ 75%] polyene_scaling.png copying images... [ 87%] single_node_h2o.png copying images... [100%] multi_node_h2o.png copying static files... done copying extra files... done dumping search index in English (code: en)... done dumping object inventory... done build succeeded. The HTML pages are in build-sphinx/html. # I know it's ugly, but sphinx splits strings at equality signs: http://svn.python.org/projects/doctools/trunk/sphinx/cmdline.py cd build-sphinx/html && sed -i "s/MathJax.js/MathJax.js?config=TeX-AMS-MML_HTMLorMML/" *.html # Solving the complaints from lintian about jquery.js & underscore.js cd build-sphinx/html && sed -i "s/_static\/jquery.js/\/usr\/share\/javascript\/jquery\/jquery.js/" *.html cd build-sphinx/html && sed -i "s/_static\/underscore.js/\/usr\/share\/javascript\/underscore\/underscore.js/" *.html cd build-sphinx/html/_static && rm jquery*.js underscore*.js make[1]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10' debian/rules override_dh_auto_test make[1]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10' cd obj-x86_64-linux-gnu/ && ctest -R "^test3|^test5|^test8" Test project /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu Start 3: test3 1/3 Test #3: test3 ............................ Passed 3514.04 sec Start 5: test5 2/3 Test #5: test5 ............................ Passed 627.50 sec Start 8: test8 3/3 Test #8: test8 ............................ Passed 3575.09 sec 100% tests passed, 0 tests failed out of 3 Total Test time (real) = 7716.67 sec cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-x86_64-3.9:.. \ LD_LIBRARY_PATH=../../obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial \ python3 test1.py CheMPS2::Hamiltonian : Reading FCIDUMP file ../../tests/matrixelements/N2.STO3G.FCIDUMP CheMPS2::Hamiltonian : Finished reading FCIDUMP file ../../tests/matrixelements/N2.STO3G.FCIDUMP CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2021 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 8 Energy at sites (8, 9) is -103.196582069745 Stats: nIt(DAVIDSON) = 17 Energy at sites (7, 8) is -106.852829763358 Stats: nIt(DAVIDSON) = 58 Energy at sites (6, 7) is -106.876477038016 Stats: nIt(DAVIDSON) = 62 Energy at sites (5, 6) is -106.907958540295 Stats: nIt(DAVIDSON) = 39 Energy at sites (4, 5) is -107.632582369266 Stats: nIt(DAVIDSON) = 29 Energy at sites (3, 4) is -107.647963934344 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.647963934344 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.647963934344 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 100.997178 seconds *** |--> S.join = 1.271387 seconds *** |--> S.solve = 89.649985 seconds *** |--> S.split = 3.731436 seconds *** |--> Tensor update = 6.340131 seconds *** |--> create = 0.119166 seconds *** |--> destroy = 0.002365 seconds *** |--> disk write = 0.70747 seconds *** |--> disk read = 0.029972 seconds *** |--> calc = 5.481064 seconds *** Disk write bandwidth = 0.828247682846755 MB/s *** Disk read bandwidth = 19.6164430388936 MB/s *** Minimum energy = -107.647963934344 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.647963934344 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.647963934344 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.647963934344 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.647963934344 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.647984036478 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.648250352487 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250352487 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250352487 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 25.620361 seconds *** |--> S.join = 1.161667 seconds *** |--> S.solve = 13.983445 seconds *** |--> S.split = 3.69091 seconds *** |--> Tensor update = 6.777528 seconds *** |--> create = 0.144722 seconds *** |--> destroy = 0.002275 seconds *** |--> disk write = 1.023124 seconds *** |--> disk read = 0.204283 seconds *** |--> calc = 5.403023 seconds *** Disk write bandwidth = 0.574655692527708 MB/s *** Disk read bandwidth = 2.86837567582028 MB/s *** Minimum energy = -107.648250352487 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.648250352487 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.648250352487 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250352487 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250352487 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.648250352487 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.648250866709 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.648250971907 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250971907 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250971907 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 25.499583 seconds *** |--> S.join = 1.205013 seconds *** |--> S.solve = 12.812027 seconds *** |--> S.split = 3.943243 seconds *** |--> Tensor update = 7.360124 seconds *** |--> create = 0.256736 seconds *** |--> destroy = 0.001851 seconds *** |--> disk write = 1.061464 seconds *** |--> disk read = 0.302774 seconds *** |--> calc = 5.737193 seconds *** Disk write bandwidth = 0.552030392159879 MB/s *** Disk read bandwidth = 1.94185772477729 MB/s *** Minimum energy = -107.648250971907 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250971907 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250971907 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250971907 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250971907 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.648250971978 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.648250973999 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250974 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250974 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 24.596248 seconds *** |--> S.join = 1.583713 seconds *** |--> S.solve = 11.087714 seconds *** |--> S.split = 4.324429 seconds *** |--> Tensor update = 7.59957 seconds *** |--> create = 0.239992 seconds *** |--> destroy = 0.001646 seconds *** |--> disk write = 0.615981 seconds *** |--> disk read = 0.367201 seconds *** |--> calc = 6.374648 seconds *** Disk write bandwidth = 0.954484035646747 MB/s *** Disk read bandwidth = 1.5957483454119 MB/s *** Minimum energy = -107.648250974 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 6.21512640464061e-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 = -107.648250974 *** Minimum energy encountered during the last sweep = -107.648250974 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 6 Energy at sites (8, 9) is -107.648250974 Stats: nIt(DAVIDSON) = 8 Energy at sites (7, 8) is -107.648250974001 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.648250974004 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.648250974004 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.648250974009 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250974013 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 35.19308 seconds *** |--> S.join = 1.30598 seconds *** |--> S.solve = 24.79174 seconds *** |--> S.split = 3.486133 seconds *** |--> Tensor update = 5.435262 seconds *** |--> create = 0.204031 seconds *** |--> destroy = 0.001553 seconds *** |--> disk write = 0.141887 seconds *** |--> disk read = 0.308749 seconds *** |--> calc = 4.778951 seconds *** Disk write bandwidth = 4.12976797158016 MB/s *** Disk read bandwidth = 1.90427833211353 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250974014 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 -107.648250974014 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.648250974013 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250974013 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 26.011886 seconds *** |--> S.join = 1.311749 seconds *** |--> S.solve = 13.551754 seconds *** |--> S.split = 3.994719 seconds *** |--> Tensor update = 7.049599 seconds *** |--> create = 0.505157 seconds *** |--> destroy = 0.096506 seconds *** |--> disk write = 0.52007 seconds *** |--> disk read = 0.055468 seconds *** |--> calc = 5.872273 seconds *** Disk write bandwidth = 1.13050941365916 MB/s *** Disk read bandwidth = 10.5639357500468 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.38413724926068e-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 = [ 1.99999530444305 , 1.99487994123326 , 1.98267954067592 ]. NOON of irrep B2g = [ 0.0748715522614764 ]. NOON of irrep B3g = [ 0.0748715522280712 ]. NOON of irrep B1u = [ 1.9999968183922 , 1.9865824271671 , 0.0188079712655353 ]. NOON of irrep B2u = [ 1.93365744616239 ]. NOON of irrep B3u = [ 1.93365744617102 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009425002141 , 0.0515866769081887 , 0.0764971090509457 , 0.257716818868676 , 0.257716818815377 , 8.47155299901999e-05 , 0.0462800403212156 , 0.100736303672815 , 0.241506019655658 , 0.241506019630618 ]. Idistance(0) = 1.30939331115132 Idistance(1) = 5.42402999231624 Idistance(2) = 26.7355487821588 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 28.099637 seconds *** |--> MPS gauge change = 8.8785 seconds *** |--> Diagram calc = 1.889063 seconds *** |--> Tensor update = 17.324466 seconds *** |--> create = 0.556639 seconds *** |--> destroy = 0.011673 seconds *** |--> disk write = 1.724205 seconds *** |--> disk read = 1.446861 seconds *** |--> calc = 13.584703 seconds *** Disk write bandwidth = 0.690537408114356 MB/s *** Disk read bandwidth = 0.822904240115542 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 = 415.396151 seconds FCI::matvec : Wall time = 397.194734 seconds FCI::matvec : Wall time = 401.499869 seconds FCI::matvec : Wall time = 415.668852 seconds FCI::matvec : Wall time = 327.784907 seconds FCI::matvec : Wall time = 343.993551 seconds FCI::matvec : Wall time = 337.627979 seconds FCI::matvec : Wall time = 346.581006 seconds FCI::matvec : Wall time = 351.875946 seconds FCI::matvec : Wall time = 323.861842 seconds FCI::matvec : Wall time = 330.002626 seconds FCI::matvec : Wall time = 316.694142 seconds FCI::matvec : Wall time = 330.733038 seconds FCI::matvec : Wall time = 334.999163 seconds FCI::matvec : Wall time = 336.584024 seconds FCI::matvec : Wall time = 333.810041 seconds FCI::matvec : Wall time = 338.48072 seconds FCI::matvec : Wall time = 330.50169 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974013 FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -1.0496382842049e-18 and intended S(S+1) = 0 Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2021 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 15 Energy at sites (8, 9) is -103.070873670464 Stats: nIt(DAVIDSON) = 25 Energy at sites (7, 8) is -106.325069189623 Stats: nIt(DAVIDSON) = 38 Energy at sites (6, 7) is -106.376956875327 Stats: nIt(DAVIDSON) = 64 Energy at sites (5, 6) is -107.318127945641 Stats: nIt(DAVIDSON) = 45 Energy at sites (4, 5) is -107.325850688033 Stats: nIt(DAVIDSON) = 22 Energy at sites (3, 4) is -107.328763118511 Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.328764832911 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328764832911 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 83.597228 seconds *** |--> S.join = 1.260764 seconds *** |--> S.solve = 74.012424 seconds *** |--> S.split = 3.120489 seconds *** |--> Tensor update = 5.036353 seconds *** |--> create = 0.1826 seconds *** |--> destroy = 0.001535 seconds *** |--> disk write = 0.215111 seconds *** |--> disk read = 0.02438 seconds *** |--> calc = 4.612648 seconds *** Disk write bandwidth = 3.92739443649514 MB/s *** Disk read bandwidth = 34.5037646524431 MB/s *** Minimum energy = -107.328764832911 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328764832911 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328764832911 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328764832911 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.328764835226 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.328766945581 Stats: nIt(DAVIDSON) = 7 Energy at sites (5, 6) is -107.328768892055 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768892055 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768892055 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 21.612781 seconds *** |--> S.join = 1.181848 seconds *** |--> S.solve = 12.499354 seconds *** |--> S.split = 2.815511 seconds *** |--> Tensor update = 5.03168 seconds *** |--> create = 0.382159 seconds *** |--> destroy = 0.001439 seconds *** |--> disk write = 0.03841 seconds *** |--> disk read = 0.109389 seconds *** |--> calc = 4.500201 seconds *** Disk write bandwidth = 21.9005931326884 MB/s *** Disk read bandwidth = 7.7231325327858 MB/s *** Minimum energy = -107.328768892055 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.328768892055 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.328768892055 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768892055 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768892055 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768892055 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.328768892419 Stats: nIt(DAVIDSON) = 4 Energy at sites (3, 4) is -107.328768897996 Stats: nIt(DAVIDSON) = 1 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 = 18.61575 seconds *** |--> S.join = 1.099118 seconds *** |--> S.solve = 8.683197 seconds *** |--> S.split = 3.592931 seconds *** |--> Tensor update = 5.236024 seconds *** |--> create = 0.024898 seconds *** |--> destroy = 0.001591 seconds *** |--> disk write = 0.598075 seconds *** |--> disk read = 0.1004 seconds *** |--> calc = 4.51098 seconds *** Disk write bandwidth = 1.41257491891302 MB/s *** Disk read bandwidth = 8.37850380703747 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 -107.32876889802 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.32876889802 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.32876889802 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.32876889802 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 17.894215 seconds *** |--> S.join = 1.200462 seconds *** |--> S.solve = 7.702865 seconds *** |--> S.split = 3.77335 seconds *** |--> Tensor update = 5.216928 seconds *** |--> create = 0.231567 seconds *** |--> destroy = 0.109575 seconds *** |--> disk write = 0.216687 seconds *** |--> disk read = 0.041815 seconds *** |--> calc = 4.617203 seconds *** Disk write bandwidth = 3.8821054434579 MB/s *** Disk read bandwidth = 20.2038920155185 MB/s *** Minimum energy = -107.32876889802 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 5.96460836277402e-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 = -107.32876889802 *** Minimum energy encountered during the last sweep = -107.32876889802 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 Energy at sites (8, 9) is -107.328768898021 Stats: nIt(DAVIDSON) = 10 Energy at sites (7, 8) is -107.328768898026 Stats: nIt(DAVIDSON) = 14 Energy at sites (6, 7) is -107.32876889803 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.32876889803 Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.32876889803 Stats: nIt(DAVIDSON) = 14 Energy at sites (3, 4) is -107.32876889803 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 = 39.699881 seconds *** |--> S.join = 1.157574 seconds *** |--> S.solve = 30.080719 seconds *** |--> S.split = 3.395669 seconds *** |--> Tensor update = 5.06541 seconds *** |--> create = 0.12277 seconds *** |--> destroy = 0.001441 seconds *** |--> disk write = 0.043247 seconds *** |--> disk read = 0.290858 seconds *** |--> calc = 4.607009 seconds *** Disk write bandwidth = 19.534898250258 MB/s *** Disk read bandwidth = 2.89213905832593 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) = 10 Energy at sites (3, 4) is -107.328768898033 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -107.328768898032 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898033 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 24.893487 seconds *** |--> S.join = 1.06822 seconds *** |--> S.solve = 15.669717 seconds *** |--> S.split = 2.905757 seconds *** |--> Tensor update = 5.249234 seconds *** |--> create = 0.111063 seconds *** |--> destroy = 0.001466 seconds *** |--> disk write = 0.240489 seconds *** |--> disk read = 0.276328 seconds *** |--> calc = 4.619806 seconds *** Disk write bandwidth = 3.4978804944366 MB/s *** Disk read bandwidth = 3.05732949476313 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.29318777908338e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** The total number of reduced MPS variables = 2280 *** Minimum energy encountered during all instructions = -107.328768898033 *** Minimum energy encountered during the last sweep = -107.328768898033 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898033 NOON of irrep Ag = [ 1.99999672241049 , 1.99571463015283 , 1.98497373603832 ]. NOON of irrep B2g = [ 0.538989905106535 ]. NOON of irrep B3g = [ 0.538989904975016 ]. NOON of irrep B1u = [ 1.99999702947248 , 1.99149890562483 , 0.0194690668427612 ]. NOON of irrep B2u = [ 1.46518504975468 ]. NOON of irrep B3u = [ 1.46518504962205 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862741295055 , 0.0587089373743906 , 0.0554792810270635 , 1.11957630007144 , 1.11957630000246 , 8.52797482076924e-05 , 0.0421718621399149 , 0.105000352912996 , 1.11261995849407 , 1.11261995856459 ]. Idistance(0) = 4.60188108192155 Idistance(1) = 17.7825010798093 Idistance(2) = 85.6947708217873 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 21.408657 seconds *** |--> MPS gauge change = 7.489346 seconds *** |--> Diagram calc = 1.571323 seconds *** |--> Tensor update = 12.34686 seconds *** |--> create = 0.573563 seconds *** |--> destroy = 0.004176 seconds *** |--> disk write = 0.335527 seconds *** |--> disk read = 0.474415 seconds *** |--> calc = 10.958833 seconds *** Disk write bandwidth = 5.10523454375272 MB/s *** Disk read bandwidth = 3.61064475356327 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 = 346.706193 seconds FCI::matvec : Wall time = 335.596934 seconds FCI::matvec : Wall time = 338.997089 seconds FCI::matvec : Wall time = 351.214835 seconds FCI::matvec : Wall time = 354.501575 seconds FCI::matvec : Wall time = 351.782524 seconds FCI::matvec : Wall time = 342.003667 seconds FCI::matvec : Wall time = 347.808599 seconds FCI::matvec : Wall time = 347.139592 seconds FCI::matvec : Wall time = 346.230414 seconds FCI::matvec : Wall time = 324.968169 seconds FCI::matvec : Wall time = 329.103136 seconds FCI::matvec : Wall time = 334.413774 seconds FCI::matvec : Wall time = 344.491584 seconds FCI::matvec : Wall time = 359.787625 seconds FCI::matvec : Wall time = 366.095545 seconds FCI::matvec : Wall time = 361.411965 seconds FCI::GSDavidson : Converged ground state energy = -107.328768898033 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2021 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 12 Energy at sites (8, 9) is -101.470578036862 Stats: nIt(DAVIDSON) = 23 Energy at sites (7, 8) is -106.98272931593 Stats: nIt(DAVIDSON) = 22 Energy at sites (6, 7) is -106.994507172724 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.99469206337 Stats: nIt(DAVIDSON) = 21 Energy at sites (4, 5) is -106.996881948769 Stats: nIt(DAVIDSON) = 24 Energy at sites (3, 4) is -106.999364202325 Stats: nIt(DAVIDSON) = 15 Energy at sites (2, 3) is -107.007870186353 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007870186353 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 62.484413 seconds *** |--> S.join = 1.239568 seconds *** |--> S.solve = 51.282114 seconds *** |--> S.split = 3.242945 seconds *** |--> Tensor update = 6.719195 seconds *** |--> create = 0.164299 seconds *** |--> destroy = 0.001644 seconds *** |--> disk write = 0.295186 seconds *** |--> disk read = 0.180778 seconds *** |--> calc = 6.077187 seconds *** Disk write bandwidth = 0.661581551348662 MB/s *** Disk read bandwidth = 1.07428026525887 MB/s *** Minimum energy = -107.007870186353 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007870186353 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007870186353 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007870186353 Stats: nIt(DAVIDSON) = 6 Energy at sites (3, 4) is -107.007870649018 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.007875233768 Stats: nIt(DAVIDSON) = 10 Energy at sites (5, 6) is -107.007920338245 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -107.007920338392 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920338392 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 29.699968 seconds *** |--> S.join = 1.354924 seconds *** |--> S.solve = 18.323558 seconds *** |--> S.split = 3.460295 seconds *** |--> Tensor update = 6.466397 seconds *** |--> create = 0.121135 seconds *** |--> destroy = 0.082028 seconds *** |--> disk write = 0.283967 seconds *** |--> disk read = 0.210087 seconds *** |--> calc = 5.769086 seconds *** Disk write bandwidth = 0.683904248708367 MB/s *** Disk read bandwidth = 0.929565426782268 MB/s *** Minimum energy = -107.007920338392 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.007920338392 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.007920338392 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920338392 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920338392 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.007920338392 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.007920356465 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.007920414054 Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -107.007920596903 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920596903 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 22.317094 seconds *** |--> S.join = 1.558068 seconds *** |--> S.solve = 11.297019 seconds *** |--> S.split = 3.684958 seconds *** |--> Tensor update = 5.776473 seconds *** |--> create = 0.125429 seconds *** |--> destroy = 0.002053 seconds *** |--> disk write = 0.295199 seconds *** |--> disk read = 0.040134 seconds *** |--> calc = 5.31356 seconds *** Disk write bandwidth = 0.661552416561053 MB/s *** Disk read bandwidth = 4.83894547747468 MB/s *** Minimum energy = -107.007920596903 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007920596903 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920596903 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007920596903 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.007920597008 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.007920597052 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.007920599401 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920599401 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599402 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 22.59786 seconds *** |--> S.join = 1.533618 seconds *** |--> S.solve = 10.296047 seconds *** |--> S.split = 4.134257 seconds *** |--> Tensor update = 6.530826 seconds *** |--> create = 0.120465 seconds *** |--> destroy = 0.003245 seconds *** |--> disk write = 0.468855 seconds *** |--> disk read = 0.142485 seconds *** |--> calc = 5.795677 seconds *** Disk write bandwidth = 0.414213856721095 MB/s *** Disk read bandwidth = 1.3705976896965 MB/s *** Minimum energy = -107.007920599402 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.6100954642061e-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 = -107.007920599402 *** Minimum energy encountered during the last sweep = -107.007920599402 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 Energy at sites (8, 9) is -107.007920599402 Stats: nIt(DAVIDSON) = 8 Energy at sites (7, 8) is -107.007920599403 Stats: nIt(DAVIDSON) = 13 Energy at sites (6, 7) is -107.007920599405 Stats: nIt(DAVIDSON) = 12 Energy at sites (5, 6) is -107.007920599405 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.007920599406 Stats: nIt(DAVIDSON) = 11 Energy at sites (3, 4) is -107.007920599406 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 = 45.603127 seconds *** |--> S.join = 1.341317 seconds *** |--> S.solve = 34.020745 seconds *** |--> S.split = 4.047167 seconds *** |--> Tensor update = 6.19075 seconds *** |--> create = 0.103196 seconds *** |--> destroy = 0.002342 seconds *** |--> disk write = 0.587999 seconds *** |--> disk read = 0.148823 seconds *** |--> calc = 5.348302 seconds *** Disk write bandwidth = 0.332125755003676 MB/s *** Disk read bandwidth = 1.30494774190124 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) = 9 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 = 33.703701 seconds *** |--> S.join = 1.223767 seconds *** |--> S.solve = 22.70379 seconds *** |--> S.split = 3.523316 seconds *** |--> Tensor update = 6.252263 seconds *** |--> create = 0.361117 seconds *** |--> destroy = 0.00194 seconds *** |--> disk write = 0.280709 seconds *** |--> disk read = 0.027188 seconds *** |--> calc = 5.581224 seconds *** Disk write bandwidth = 0.691841863969337 MB/s *** Disk read bandwidth = 7.18293408181574 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 3.7147174225538e-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 = [ 1.99999761728559 , 1.99817458672723 , 1.99099529649884 ]. NOON of irrep B2g = [ 0.999157311002536 ]. NOON of irrep B3g = [ 0.999157310967406 ]. NOON of irrep B1u = [ 1.99999763398153 , 1.9935677257914 , 0.0151843205156834 ]. NOON of irrep B2u = [ 1.00188409863752 ]. NOON of irrep B3u = [ 1.00188409859226 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624949791353e-05 , 0.0439795110645722 , 0.0191227061072504 , 0.710073263037034 , 0.710073263338734 , 0.00011419427539362 , 0.0501988279950915 , 0.0847680576482376 , 0.709393186514296 , 0.709393186226212 ]. Idistance(0) = 1.96740724134678 Idistance(1) = 7.24682977014275 Idistance(2) = 34.6048709952566 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 26.303776 seconds *** |--> MPS gauge change = 9.205542 seconds *** |--> Diagram calc = 1.885024 seconds *** |--> Tensor update = 15.211773 seconds *** |--> create = 0.448989 seconds *** |--> destroy = 0.00525300000000001 seconds *** |--> disk write = 0.672771 seconds *** |--> disk read = 0.315324 seconds *** |--> calc = 13.769057 seconds *** Disk write bandwidth = 0.608234563742483 MB/s *** Disk read bandwidth = 1.29772099708108 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 = 303.803608 seconds FCI::matvec : Wall time = 278.876762 seconds FCI::matvec : Wall time = 268.527089 seconds FCI::matvec : Wall time = 270.984133 seconds FCI::matvec : Wall time = 271.901536 seconds FCI::matvec : Wall time = 269.393828 seconds FCI::matvec : Wall time = 273.419805 seconds FCI::matvec : Wall time = 271.799731 seconds FCI::matvec : Wall time = 268.079502 seconds FCI::matvec : Wall time = 278.100432 seconds FCI::matvec : Wall time = 275.220486 seconds FCI::matvec : Wall time = 264.989067 seconds FCI::GSDavidson : Converged ground state energy = -107.007920599438 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000001 and intended S(S+1) = 6 Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2021 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 11 Energy at sites (8, 9) is -101.591922014933 Stats: nIt(DAVIDSON) = 17 Energy at sites (7, 8) is -105.793518531788 Stats: nIt(DAVIDSON) = 63 Energy at sites (6, 7) is -105.90425563351 Stats: nIt(DAVIDSON) = 43 Energy at sites (5, 6) is -105.907423397177 Stats: nIt(DAVIDSON) = 27 Energy at sites (4, 5) is -106.134799824387 Stats: nIt(DAVIDSON) = 32 Energy at sites (3, 4) is -106.181319140103 Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -106.18131916974 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.18131916974 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 81.596424 seconds *** |--> S.join = 1.087009 seconds *** |--> S.solve = 71.280256 seconds *** |--> S.split = 3.344864 seconds *** |--> Tensor update = 5.883614 seconds *** |--> create = 0.230145 seconds *** |--> destroy = 0.001686 seconds *** |--> disk write = 0.288162 seconds *** |--> disk read = 0.197274 seconds *** |--> calc = 5.166254 seconds *** Disk write bandwidth = 0.700503607372979 MB/s *** Disk read bandwidth = 1.01774763265496 MB/s *** Minimum energy = -106.18131916974 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.18131916974 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.18131916974 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.18131916974 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.18131916974 Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -106.181843153051 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.191439799454 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.191439799805 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191439799805 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 26.498224 seconds *** |--> S.join = 1.42051 seconds *** |--> S.solve = 15.588581 seconds *** |--> S.split = 3.443483 seconds *** |--> Tensor update = 6.045007 seconds *** |--> create = 0.181061 seconds *** |--> destroy = 0.003939 seconds *** |--> disk write = 0.234022 seconds *** |--> disk read = 0.045855 seconds *** |--> calc = 5.580014 seconds *** Disk write bandwidth = 0.857932786167006 MB/s *** Disk read bandwidth = 4.40210490694172 MB/s *** Minimum energy = -106.191439799805 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 106.191439799805 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191439799805 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191439799805 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191439799805 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.191439799805 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -106.191457560463 Stats: nIt(DAVIDSON) = 8 Energy at sites (3, 4) is -106.191465745444 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -106.191465751541 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191465751541 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 24.030849 seconds *** |--> S.join = 1.413017 seconds *** |--> S.solve = 13.744877 seconds *** |--> S.split = 3.551506 seconds *** |--> Tensor update = 5.1683 seconds *** |--> create = 0.257034 seconds *** |--> destroy = 0.001696 seconds *** |--> disk write = 0.203696 seconds *** |--> disk read = 0.108859 seconds *** |--> calc = 4.596934 seconds *** Disk write bandwidth = 0.990979304982977 MB/s *** Disk read bandwidth = 1.84435964398327 MB/s *** Minimum energy = -106.191465751541 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191465751541 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191465751541 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191465751541 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.191465751541 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -106.19146575484 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -106.191466520974 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466520975 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466520975 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 20.077484 seconds *** |--> S.join = 1.195278 seconds *** |--> S.solve = 10.454179 seconds *** |--> S.split = 2.864404 seconds *** |--> Tensor update = 5.56301 seconds *** |--> create = 0.286886 seconds *** |--> destroy = 0.004053 seconds *** |--> disk write = 0.210499 seconds *** |--> disk read = 0.241817 seconds *** |--> calc = 4.819673 seconds *** Disk write bandwidth = 0.953805702090628 MB/s *** Disk read bandwidth = 0.834757359936698 MB/s *** Minimum energy = -106.191466520975 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.67211695188507e-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 = -106.191466520975 *** Minimum energy encountered during the last sweep = -106.191466520975 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 9 Energy at sites (8, 9) is -106.191466520993 Stats: nIt(DAVIDSON) = 10 Energy at sites (7, 8) is -106.191466521011 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -106.191466521012 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -106.191466521018 Stats: nIt(DAVIDSON) = 17 Energy at sites (4, 5) is -106.191466567673 Stats: nIt(DAVIDSON) = 17 Energy at sites (3, 4) is -106.191466572007 Stats: nIt(DAVIDSON) = 6 Energy at sites (2, 3) is -106.191466572008 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466572008 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 42.911169 seconds *** |--> S.join = 1.112875 seconds *** |--> S.solve = 32.521456 seconds *** |--> S.split = 3.604703 seconds *** |--> Tensor update = 5.671543 seconds *** |--> create = 0.03593 seconds *** |--> destroy = 0.002466 seconds *** |--> disk write = 0.465652 seconds *** |--> disk read = 0.271348 seconds *** |--> calc = 4.896058 seconds *** Disk write bandwidth = 0.433496517802592 MB/s *** Disk read bandwidth = 0.739917546782637 MB/s *** Minimum energy = -106.191466572008 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466572008 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466572008 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466572008 Stats: nIt(DAVIDSON) = 3 Energy at sites (3, 4) is -106.191466572008 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -106.191466572009 Stats: nIt(DAVIDSON) = 17 Energy at sites (5, 6) is -106.191466575662 Stats: nIt(DAVIDSON) = 4 Energy at sites (6, 7) is -106.191466575663 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575662 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 27.209541 seconds *** |--> S.join = 1.004046 seconds *** |--> S.solve = 17.233136 seconds *** |--> S.split = 3.262411 seconds *** |--> Tensor update = 5.709372 seconds *** |--> create = 0.026157 seconds *** |--> destroy = 0.001579 seconds *** |--> disk write = 0.540841 seconds *** |--> disk read = 0.235387 seconds *** |--> calc = 4.905322 seconds *** Disk write bandwidth = 0.371227674093449 MB/s *** Disk read bandwidth = 0.857560190273093 MB/s *** Minimum energy = -106.191466575663 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 5.46877458873496e-08 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575662 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575662 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575662 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -106.191466575662 Stats: nIt(DAVIDSON) = 15 Energy at sites (4, 5) is -106.191466575913 Stats: nIt(DAVIDSON) = 14 Energy at sites (3, 4) is -106.191466575929 Stats: nIt(DAVIDSON) = 5 Energy at sites (2, 3) is -106.191466575929 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575929 ****************************************************************** *** Information on left sweep 1 of instruction 1: *** Elapsed wall time = 26.203721 seconds *** |--> S.join = 1.051725 seconds *** |--> S.solve = 16.686521 seconds *** |--> S.split = 3.214819 seconds *** |--> Tensor update = 5.250013 seconds *** |--> create = 0.186215 seconds *** |--> destroy = 0.068122 seconds *** |--> disk write = 0.308424 seconds *** |--> disk read = 0.036097 seconds *** |--> calc = 4.651044 seconds *** Disk write bandwidth = 0.65448382910478 MB/s *** Disk read bandwidth = 5.56210063119858 MB/s *** Minimum energy = -106.191466575929 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466575929 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575929 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466575929 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -106.191466575929 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -106.191466575929 Stats: nIt(DAVIDSON) = 15 Energy at sites (5, 6) is -106.191466575949 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -106.191466575949 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575949 ****************************************************************** *** Information on right sweep 1 of instruction 1: *** Elapsed wall time = 25.789428 seconds *** |--> S.join = 1.147603 seconds *** |--> S.solve = 15.538083 seconds *** |--> S.split = 3.290204 seconds *** |--> Tensor update = 5.812804 seconds *** |--> create = 0.194412 seconds *** |--> destroy = 0.104611 seconds *** |--> disk write = 0.298364 seconds *** |--> disk read = 0.127807 seconds *** |--> calc = 5.087512 seconds *** Disk write bandwidth = 0.672920146144893 MB/s *** Disk read bandwidth = 1.57940113223699 MB/s *** Minimum energy = -106.191466575949 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.86263457383029e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575949 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575949 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575949 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -106.191466575949 Stats: nIt(DAVIDSON) = 13 Energy at sites (4, 5) is -106.19146657595 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -106.19146657595 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.19146657595 ****************************************************************** *** Information on left sweep 2 of instruction 1: *** Elapsed wall time = 26.0914 seconds *** |--> S.join = 1.5893 seconds *** |--> S.solve = 15.610247 seconds *** |--> S.split = 3.789833 seconds *** |--> Tensor update = 5.012491 seconds *** |--> create = 0.280818 seconds *** |--> destroy = 0.001876 seconds *** |--> disk write = 0.112463 seconds *** |--> disk read = 0.028287 seconds *** |--> calc = 4.588955 seconds *** Disk write bandwidth = 1.79488827888117 MB/s *** Disk read bandwidth = 7.09778861259147 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.19146657595 Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -106.19146657595 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.19146657595 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19146657595 ****************************************************************** *** Information on right sweep 2 of instruction 1: *** Elapsed wall time = 21.697704 seconds *** |--> S.join = 1.385143 seconds *** |--> S.solve = 11.88709 seconds *** |--> S.split = 3.293455 seconds *** |--> Tensor update = 5.129242 seconds *** |--> create = 0.029194 seconds *** |--> destroy = 0.001594 seconds *** |--> disk write = 0.241151 seconds *** |--> disk read = 0.093844 seconds *** |--> calc = 4.763375 seconds *** Disk write bandwidth = 0.832570242231527 MB/s *** Disk read bandwidth = 2.15100081526589 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.59161572810262e-12 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** The total number of reduced MPS variables = 621 *** Minimum energy encountered during all instructions = -106.19146657595 *** Minimum energy encountered during the last sweep = -106.19146657595 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595 NOON of irrep Ag = [ 1.99999399659705 , 1.99366325648167 , 1.87190049155145 ]. NOON of irrep B2g = [ 0.584814261122414 ]. NOON of irrep B3g = [ 0.584814303779416 ]. NOON of irrep B1u = [ 1.99999783389178 , 1.12096429164231 , 1.00219410740274 ]. NOON of irrep B2u = [ 1.42082870462715 ]. NOON of irrep B3u = [ 1.42082875290402 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128198815227e-05 , 0.0722109534909169 , 0.460791909433239 , 1.13075778809409 , 1.13075780165703 , 6.17502954873925e-05 , 0.9771390146142 , 0.735936481739574 , 1.1204272448472 , 1.12042722075015 ]. Idistance(0) = 5.65234392967479 Idistance(1) = 19.8382955652055 Idistance(2) = 88.8195397781992 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 21.714352 seconds *** |--> MPS gauge change = 6.954471 seconds *** |--> Diagram calc = 1.267689 seconds *** |--> Tensor update = 13.40661 seconds *** |--> create = 0.153638 seconds *** |--> destroy = 0.092919 seconds *** |--> disk write = 0.80525 seconds *** |--> disk read = 0.551419 seconds *** |--> calc = 11.803068 seconds *** Disk write bandwidth = 0.524483567918542 MB/s *** Disk read bandwidth = 0.765915561608153 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 = 251.418727 seconds FCI::matvec : Wall time = 247.000667 seconds FCI::matvec : Wall time = 245.579746 seconds FCI::matvec : Wall time = 268.799895 seconds FCI::matvec : Wall time = 243.703271 seconds FCI::matvec : Wall time = 261.094958 seconds FCI::matvec : Wall time = 239.69651 seconds FCI::matvec : Wall time = 251.023723 seconds FCI::matvec : Wall time = 252.479823 seconds FCI::matvec : Wall time = 252.29548 seconds FCI::matvec : Wall time = 271.010124 seconds FCI::matvec : Wall time = 288.620434 seconds FCI::matvec : Wall time = 258.373004 seconds FCI::matvec : Wall time = 241.597148 seconds FCI::matvec : Wall time = 255.013714 seconds FCI::matvec : Wall time = 252.308624 seconds FCI::matvec : Wall time = 239.375338 seconds FCI::matvec : Wall time = 244.903463 seconds FCI::GSDavidson : Converged ground state energy = -106.19146657595 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6 and intended S(S+1) = 6 Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2021 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 15 Energy at sites (8, 9) is -102.895012667602 Stats: nIt(DAVIDSON) = 37 Energy at sites (7, 8) is -106.58362697286 Stats: nIt(DAVIDSON) = 41 Energy at sites (6, 7) is -106.777725737689 Stats: nIt(DAVIDSON) = 61 Energy at sites (5, 6) is -107.247303479979 Stats: nIt(DAVIDSON) = 30 Energy at sites (4, 5) is -107.345679187188 Stats: nIt(DAVIDSON) = 18 Energy at sites (3, 4) is -107.345785410947 Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -107.345785556488 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.345785556488 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 87.179139 seconds *** |--> S.join = 1.16531 seconds *** |--> S.solve = 77.09453 seconds *** |--> S.split = 3.247166 seconds *** |--> Tensor update = 5.488692 seconds *** |--> create = 0.148081 seconds *** |--> destroy = 0.00167 seconds *** |--> disk write = 0.420957 seconds *** |--> disk read = 0.123115 seconds *** |--> calc = 4.794801 seconds *** Disk write bandwidth = 1.94505999684944 MB/s *** Disk read bandwidth = 6.62114818414821 MB/s *** Minimum energy = -107.345785556488 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.345785556488 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.345785556488 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.345785556488 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.345785556593 Stats: nIt(DAVIDSON) = 5 Energy at sites (4, 5) is -107.345785625359 Stats: nIt(DAVIDSON) = 12 Energy at sites (5, 6) is -107.346319504297 Stats: nIt(DAVIDSON) = 5 Energy at sites (6, 7) is -107.346324315236 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346324315236 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 27.898106 seconds *** |--> S.join = 1.185471 seconds *** |--> S.solve = 16.570767 seconds *** |--> S.split = 3.591826 seconds *** |--> Tensor update = 6.549393 seconds *** |--> create = 0.032235 seconds *** |--> destroy = 0.001887 seconds *** |--> disk write = 0.542302 seconds *** |--> disk read = 0.17393 seconds *** |--> calc = 5.79895 seconds *** Disk write bandwidth = 1.50315259521707 MB/s *** Disk read bandwidth = 4.70756408379089 MB/s *** Minimum energy = -107.346324315236 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.346324315236 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346324315236 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346324315236 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346324315236 Stats: nIt(DAVIDSON) = 5 Energy at sites (5, 6) is -107.346324319979 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.346325309653 Stats: nIt(DAVIDSON) = 6 Energy at sites (3, 4) is -107.346326097883 Stats: nIt(DAVIDSON) = 2 Energy at sites (2, 3) is -107.34632609807 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.34632609807 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 24.541382 seconds *** |--> S.join = 1.075981 seconds *** |--> S.solve = 14.224099 seconds *** |--> S.split = 3.552852 seconds *** |--> Tensor update = 5.687809 seconds *** |--> create = 0.222454 seconds *** |--> destroy = 0.001967 seconds *** |--> disk write = 0.382344 seconds *** |--> disk read = 0.054098 seconds *** |--> calc = 5.026846 seconds *** Disk write bandwidth = 2.14149201005835 MB/s *** Disk read bandwidth = 15.0682586914748 MB/s *** Minimum energy = -107.34632609807 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326098071 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.34632609807 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.34632609807 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.346326098071 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.346326098176 Stats: nIt(DAVIDSON) = 5 Energy at sites (5, 6) is -107.346326114625 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -107.346326114727 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326114727 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 21.053917 seconds *** |--> S.join = 1.274193 seconds *** |--> S.solve = 10.203976 seconds *** |--> S.split = 3.590514 seconds *** |--> Tensor update = 5.978121 seconds *** |--> create = 0.283633 seconds *** |--> destroy = 0.065612 seconds *** |--> disk write = 0.211684 seconds *** |--> disk read = 0.024052 seconds *** |--> calc = 5.393057 seconds *** Disk write bandwidth = 3.8508468221094 MB/s *** Disk read bandwidth = 34.0423507855376 MB/s *** Minimum energy = -107.346326114727 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.79949111611677e-06 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 2128 *** Minimum energy encountered during all instructions = -107.346326114727 *** Minimum energy encountered during the last sweep = -107.346326114727 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 Energy at sites (8, 9) is -107.346326114728 Stats: nIt(DAVIDSON) = 9 Energy at sites (7, 8) is -107.34632611473 Stats: nIt(DAVIDSON) = 12 Energy at sites (6, 7) is -107.346326114731 Stats: nIt(DAVIDSON) = 19 Energy at sites (5, 6) is -107.346326114763 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.346326115012 Stats: nIt(DAVIDSON) = 14 Energy at sites (3, 4) is -107.346326115019 Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -107.346326115019 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115019 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 41.925464 seconds *** |--> S.join = 1.367937 seconds *** |--> S.solve = 32.059183 seconds *** |--> S.split = 3.146517 seconds *** |--> Tensor update = 5.351221 seconds *** |--> create = 0.116937 seconds *** |--> destroy = 0.001737 seconds *** |--> disk write = 0.378864 seconds *** |--> disk read = 0.193944 seconds *** |--> calc = 4.659646 seconds *** Disk write bandwidth = 2.16116237249712 MB/s *** Disk read bandwidth = 4.20308263566497 MB/s *** Minimum energy = -107.346326115019 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326115019 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115019 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115019 Stats: nIt(DAVIDSON) = 7 Energy at sites (3, 4) is -107.346326115019 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.346326115019 Stats: nIt(DAVIDSON) = 17 Energy at sites (5, 6) is -107.346326115024 Stats: nIt(DAVIDSON) = 8 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115024 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 29.974913 seconds *** |--> S.join = 1.262778 seconds *** |--> S.solve = 19.575306 seconds *** |--> S.split = 3.342851 seconds *** |--> Tensor update = 5.700043 seconds *** |--> create = 0.284748 seconds *** |--> destroy = 0.002698 seconds *** |--> disk write = 0.128717 seconds *** |--> disk read = 0.382337 seconds *** |--> calc = 4.901447 seconds *** Disk write bandwidth = 6.33298366720329 MB/s *** Disk read bandwidth = 2.1415312174698 MB/s *** Minimum energy = -107.346326115024 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.97234237223165e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.346326115024 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -107.346326115025 Stats: nIt(DAVIDSON) = 8 Energy at sites (3, 4) is -107.346326115025 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115025 ****************************************************************** *** Information on left sweep 1 of instruction 1: *** Elapsed wall time = 27.809945 seconds *** |--> S.join = 1.066336 seconds *** |--> S.solve = 16.922642 seconds *** |--> S.split = 3.625695 seconds *** |--> Tensor update = 6.194703 seconds *** |--> create = 0.184496 seconds *** |--> destroy = 0.007394 seconds *** |--> disk write = 0.524344 seconds *** |--> disk read = 0.044287 seconds *** |--> calc = 5.434095 seconds *** Disk write bandwidth = 1.56154475133452 MB/s *** Disk read bandwidth = 18.4063643663243 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115024 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.346326115025 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.346326115025 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -107.346326115025 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 = 23.912256 seconds *** |--> S.join = 1.306281 seconds *** |--> S.solve = 13.794381 seconds *** |--> S.split = 3.35992 seconds *** |--> Tensor update = 5.451034 seconds *** |--> create = 0.329093 seconds *** |--> destroy = 0.001877 seconds *** |--> disk write = 0.328389 seconds *** |--> disk read = 0.198194 seconds *** |--> calc = 4.593393 seconds *** Disk write bandwidth = 2.48230805140064 MB/s *** Disk read bandwidth = 4.13123818629096 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.13686837721616e-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 = [ 1.99999018535368 , 1.99292175273716 , 1.03221285686643 ]. NOON of irrep B2g = [ 1.02415310258149 ]. NOON of irrep B3g = [ 0.0896934287701446 ]. NOON of irrep B1u = [ 1.99999295584654 , 1.95039154287595 , 0.0159495095095077 ]. NOON of irrep B2u = [ 1.91962159297238 ]. NOON of irrep B3u = [ 1.97507307248673 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322992362065 , 0.0447141469197907 , 0.838966994067127 , 0.790658960256609 , 0.317368561120012 , 9.24989500773599e-05 , 0.227634117190381 , 0.0907424583705869 , 0.29965280482847 , 0.133979296986 ]. Idistance(0) = 1.57215407889685 Idistance(1) = 5.1580544830464 Idistance(2) = 21.9866409898879 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 21.697049 seconds *** |--> MPS gauge change = 7.124668 seconds *** |--> Diagram calc = 1.274107 seconds *** |--> Tensor update = 13.297052 seconds *** |--> create = 0.501197 seconds *** |--> destroy = 0.103545 seconds *** |--> disk write = 0.800121 seconds *** |--> disk read = 0.326721 seconds *** |--> calc = 11.565131 seconds *** Disk write bandwidth = 2.07576826966347 MB/s *** Disk read bandwidth = 5.08343750077714 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 = 335.320063 seconds FCI::matvec : Wall time = 324.195 seconds FCI::matvec : Wall time = 374.18849 seconds FCI::matvec : Wall time = 346.79831 seconds FCI::matvec : Wall time = 339.502544 seconds FCI::matvec : Wall time = 345.506222 seconds FCI::matvec : Wall time = 356.818763 seconds FCI::matvec : Wall time = 352.390231 seconds FCI::matvec : Wall time = 378.970149 seconds FCI::matvec : Wall time = 375.810462 seconds FCI::matvec : Wall time = 364.918447 seconds FCI::matvec : Wall time = 335.373363 seconds FCI::matvec : Wall time = 350.122291 seconds FCI::matvec : Wall time = 351.004327 seconds FCI::matvec : Wall time = 334.011527 seconds FCI::matvec : Wall time = 323.784014 seconds FCI::matvec : Wall time = 320.007959 seconds FCI::matvec : Wall time = 314.496908 seconds FCI::GSDavidson : Converged ground state energy = -107.346326115024 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2021 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 19 Energy at sites (8, 9) is -103.696327518531 Stats: nIt(DAVIDSON) = 36 Energy at sites (7, 8) is -106.249790288007 Stats: nIt(DAVIDSON) = 39 Energy at sites (6, 7) is -106.952185779917 Stats: nIt(DAVIDSON) = 52 Energy at sites (5, 6) is -107.184811778237 Stats: nIt(DAVIDSON) = 40 Energy at sites (4, 5) is -107.188561056593 Stats: nIt(DAVIDSON) = 29 Energy at sites (3, 4) is -107.199534117558 Stats: nIt(DAVIDSON) = 11 Energy at sites (2, 3) is -107.199542704792 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199542704792 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 84.594284 seconds *** |--> S.join = 0.987445 seconds *** |--> S.solve = 75.738355 seconds *** |--> S.split = 2.918717 seconds *** |--> Tensor update = 4.860441 seconds *** |--> create = 0.271935 seconds *** |--> destroy = 0.086508 seconds *** |--> disk write = 0.105683 seconds *** |--> disk read = 0.040933 seconds *** |--> calc = 4.355286 seconds *** Disk write bandwidth = 7.95945321426311 MB/s *** Disk read bandwidth = 20.4616063235195 MB/s *** Minimum energy = -107.199542704792 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199542704792 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199542704792 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199542704792 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199542710528 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.199556458935 Stats: nIt(DAVIDSON) = 17 Energy at sites (5, 6) is -107.199606402514 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.199617188878 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617188879 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 27.218158 seconds *** |--> S.join = 1.067484 seconds *** |--> S.solve = 18.254244 seconds *** |--> S.split = 2.864473 seconds *** |--> Tensor update = 5.031369 seconds *** |--> create = 0.221999 seconds *** |--> destroy = 0.091411 seconds *** |--> disk write = 0.328423 seconds *** |--> disk read = 0.053301 seconds *** |--> calc = 4.336145 seconds *** Disk write bandwidth = 2.55023226643879 MB/s *** Disk read bandwidth = 15.7816719018962 MB/s *** Minimum energy = -107.199617188879 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.199617188879 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.199617188879 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617188879 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.199617188879 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.199617326024 Stats: nIt(DAVIDSON) = 5 Energy at sites (4, 5) is -107.199617370581 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617421175 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.199617421523 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421523 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 22.406728 seconds *** |--> S.join = 1.112105 seconds *** |--> S.solve = 13.759872 seconds *** |--> S.split = 2.602825 seconds *** |--> Tensor update = 4.931344 seconds *** |--> create = 0.254807 seconds *** |--> destroy = 0.003066 seconds *** |--> disk write = 0.151451 seconds *** |--> disk read = 0.015605 seconds *** |--> calc = 4.506315 seconds *** Disk write bandwidth = 5.55413232030801 MB/s *** Disk read bandwidth = 53.6722160615588 MB/s *** Minimum energy = -107.199617421523 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199617421523 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421523 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421524 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.199617421523 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.199617421582 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -107.199617421882 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.199617421882 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421882 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 16.700685 seconds *** |--> S.join = 1.056222 seconds *** |--> S.solve = 7.698311 seconds *** |--> S.split = 2.804732 seconds *** |--> Tensor update = 5.052204 seconds *** |--> create = 0.127338 seconds *** |--> destroy = 0.004168 seconds *** |--> disk write = 0.158294 seconds *** |--> disk read = 0.115271 seconds *** |--> calc = 4.64704 seconds *** Disk write bandwidth = 5.29113505022695 MB/s *** Disk read bandwidth = 7.29740259079013 MB/s *** Minimum energy = -107.199617421882 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.33003703442591e-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 = -107.199617421882 *** Minimum energy encountered during the last sweep = -107.199617421882 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 9 Energy at sites (8, 9) is -107.199617421892 Stats: nIt(DAVIDSON) = 11 Energy at sites (7, 8) is -107.199617421904 Stats: nIt(DAVIDSON) = 17 Energy at sites (6, 7) is -107.199617421914 Stats: nIt(DAVIDSON) = 22 Energy at sites (5, 6) is -107.199617421915 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.199617421917 Stats: nIt(DAVIDSON) = 14 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 = 42.296242 seconds *** |--> S.join = 0.999551 seconds *** |--> S.solve = 32.950384 seconds *** |--> S.split = 3.10038 seconds *** |--> Tensor update = 5.177024 seconds *** |--> create = 0.259098 seconds *** |--> destroy = 0.001561 seconds *** |--> disk write = 0.311106 seconds *** |--> disk read = 0.16023 seconds *** |--> calc = 4.444945 seconds *** Disk write bandwidth = 2.70383372240641 MB/s *** Disk read bandwidth = 5.22720421669241 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617421919 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.199617421919 Stats: nIt(DAVIDSON) = 16 Energy at sites (5, 6) is -107.199617421919 Stats: nIt(DAVIDSON) = 8 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 = 28.17642 seconds *** |--> S.join = 1.205399 seconds *** |--> S.solve = 18.743515 seconds *** |--> S.split = 2.902714 seconds *** |--> Tensor update = 5.255603 seconds *** |--> create = 0.280581 seconds *** |--> destroy = 0.001844 seconds *** |--> disk write = 0.199057 seconds *** |--> disk read = 0.124302 seconds *** |--> calc = 4.649709 seconds *** Disk write bandwidth = 4.20761355612023 MB/s *** Disk read bandwidth = 6.76721930494255 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 3.62661012331955e-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 = [ 1.99998814651051 , 1.98924041564903 , 1.87687857980459 ]. NOON of irrep B2g = [ 0.139387811500573 ]. NOON of irrep B3g = [ 1.03112739708565 ]. NOON of irrep B1u = [ 1.99999431244151 , 1.10839164082409 , 0.0211636956684156 ]. NOON of irrep B2u = [ 1.96715797349569 ]. NOON of irrep B3u = [ 1.86667002701997 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.00014998000978687 , 0.0818410215662222 , 0.449623198567411 , 0.486645056140439 , 0.811029482215499 , 6.68868115182541e-05 , 0.96204661384458 , 0.112095070288693 , 0.167176150698097 , 0.47508246173328 ]. Idistance(0) = 2.38445939414431 Idistance(1) = 9.57998274883555 Idistance(2) = 47.8783647313518 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 21.305703 seconds *** |--> MPS gauge change = 7.586281 seconds *** |--> Diagram calc = 1.614092 seconds *** |--> Tensor update = 12.103915 seconds *** |--> create = 0.330139 seconds *** |--> destroy = 0.00534000000000001 seconds *** |--> disk write = 0.723904 seconds *** |--> disk read = 0.109765 seconds *** |--> calc = 10.934403 seconds *** Disk write bandwidth = 2.3561830430414 MB/s *** Disk read bandwidth = 15.5391092751774 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 = 331.887381 seconds FCI::matvec : Wall time = 318.791642 seconds FCI::matvec : Wall time = 322.401448 seconds FCI::matvec : Wall time = 327.707208 seconds FCI::matvec : Wall time = 332.601984 seconds FCI::matvec : Wall time = 332.287442 seconds FCI::matvec : Wall time = 315.192041 seconds FCI::matvec : Wall time = 330.217965 seconds FCI::matvec : Wall time = 329.385247 seconds FCI::matvec : Wall time = 319.093074 seconds FCI::matvec : Wall time = 341.104635 seconds FCI::matvec : Wall time = 341.190108 seconds FCI::matvec : Wall time = 333.116191 seconds FCI::matvec : Wall time = 329.703525 seconds FCI::matvec : Wall time = 321.590672 seconds FCI::matvec : Wall time = 351.027192 seconds FCI::matvec : Wall time = 351.284744 seconds FCI::matvec : Wall time = 348.996776 seconds FCI::matvec : Wall time = 360.589613 seconds FCI::matvec : Wall time = 363.22326 seconds FCI::matvec : Wall time = 351.69093 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 '/build/chemps2-DTqEha/chemps2-1.8.10' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary-indep dh binary-indep --with python3 dh_testroot -i dh_prep -i debian/rules override_dh_auto_install make[1]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10' dh_auto_install cd obj-x86_64-linux-gnu && make -j4 install DESTDIR=/build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[2]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 65%] Built target chemps2-base make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 66%] Built target chemps2-shared [ 67%] Built target chemps2-static make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 69%] Built target chemps2-bin make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 71%] Built target test1 [ 76%] Built target test3 [ 76%] Built target test14 make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 78%] Built target test4 make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 80%] Built target test12 make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 82%] Built target test6 [ 84%] Built target test2 make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 86%] Built target test7 [ 89%] Built target test8 make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 91%] Built target test13 make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 93%] Built target test5 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 95%] Built target test9 [ 97%] Built target test10 [100%] Built target test11 make[3]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' Install the project... -- Install configuration: "release" -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Config.cmake -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2ConfigVersion.cmake -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/share/cmake/CheMPS2/FindTargetHDF5.cmake -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so.3 -- Set runtime path of "/build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so.3" to "" -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/bin/chemps2 -- Set runtime path of "/build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/bin/chemps2" to "" -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.a -- Up-to-date: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/bin/chemps2 -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2 -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Irreps.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/FourIndex.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/MPIchemps2.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Heff.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/TensorQ.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/EdmistonRuedenberg.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/SyBookkeeper.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/DIIS.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/FCI.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/TensorKM.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/ConvergenceScheme.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/TensorT.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/TwoIndex.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Correlations.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Problem.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/TensorS0.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Excitation.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/DMRGSCFintegrals.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/TensorX.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/TensorS1.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/TensorF0.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/DMRG.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/DMRGSCFunitary.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Special.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Tensor3RDM.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Tensor.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/TensorO.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/ThreeDM.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Wigner.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Cumulant.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Molden.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/TensorOperator.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/CASSCF.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/ConjugateGradient.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/TensorGYZ.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Hamiltonian.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Initialize.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/TwoDM.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Options.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Davidson.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Sobject.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/DMRGSCFindices.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/CASPT2.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/TensorL.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/DMRGSCFrotations.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/TensorF1.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/Lapack.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/include/chemps2/DMRGSCFwtilde.h -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared.cmake -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared-release.cmake -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static.cmake -- Installing: /build/chemps2-DTqEha/chemps2-1.8.10/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static-release.cmake make[2]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/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_64-3.9/PyCheMPS2.cpython-39-x86_64-linux-gnu.so -> ../debian/tmp/usr/lib/python3/dist-packages running install_egg_info Writing ../debian/tmp/usr/lib/python3/dist-packages/CheMPS2-1.8.10.egg-info dh_numpy3 make[1]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10' dh_install -i dh_installdocs -i debian/rules override_dh_installchangelogs make[1]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10' dh_installchangelogs -k CHANGELOG.md make[1]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10' dh_installman -i dh_python3 -i E: dh_python3 dh_python3:176: no package to act on (python3-foo or one with ${python3:Depends} in Depends) dh_perl -i dh_link -i dh_strip_nondeterminism -i dh_compress -i dh_fixperms -i dh_missing -i dh_installdeb -i dh_gencontrol -i 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 dh_md5sums -i dh_builddeb -i dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.10-2_all.deb'. dpkg-genbuildinfo --build=all dpkg-genchanges --build=all >../chemps2_1.8.10-2_all.changes dpkg-genchanges: info: binary-only arch-indep upload (source code and arch-specific packages not included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) I: running special hook: sync-out /build/chemps2-DTqEha /tmp/chemps2-1.8.10-2_br05s2i I: cleaning package lists and apt cache... I: creating tarball... I: done I: removing tempdir /tmp/mmdebstrap.gPWWa61JP5... I: success in 43509.4295 seconds md5: chemps2-doc_1.8.10-2_all.deb: OK sha1: chemps2-doc_1.8.10-2_all.deb: OK sha256: chemps2-doc_1.8.10-2_all.deb: OK Checksums: OK