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/chemps2-1.8.10-25xsaeazk/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/chemps2-1.8.10-25xsaeazk 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.VjZ_NQqwyT 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.VjZ_NQqwyT 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 (1109 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.VjZ_NQqwyT 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 28s (1227 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.VjZ_NQqwyT 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.VjZ_NQqwyT 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 (1186 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.VjZ_NQqwyT 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' [ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o [ 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/CASPT2.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/CASPT2.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/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/CASSCF.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/CASSCF.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/CASSCFdebug.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/CASSCFdebug.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/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 [ 21%] 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 [ 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 [ 38%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.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/HeffDiagrams4.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/HeffDiagrams4.cpp [ 39%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.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/HeffDiagrams5.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/CheMPS2/HeffDiagrams5.cpp [ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.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 [ 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/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-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/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-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-shared.dir/depend.internal". Scanning dependencies of target chemps2-static Scanning dependencies of target chemps2-shared 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-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/build make[4]: Entering directory '/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' [ 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 -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/depend 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/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[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[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/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/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/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". 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/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/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/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". Scanning dependencies of target test3 Scanning dependencies of target test1 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 tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build 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[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' Scanning dependencies of 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]: 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 make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 69%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o [ 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/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 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 tests/CMakeFiles/test14.dir/tests/test14.cpp.o [ 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/test14.dir/tests/test14.cpp.o -c /build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu/tests/tests/test14.cpp 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 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 /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 [ 73%] 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/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 [ 75%] 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 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 75%] Built target test3 make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/depend make[4]: Entering directory '/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 test14 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". 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' make[4]: Leaving 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 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= [ 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 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 /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 [ 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/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' [ 83%] Built target test12 make -f tests/CMakeFiles/test7.dir/build.make tests/CMakeFiles/test7.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/test7.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". 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' [ 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 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 84%] Built target test6 make -f tests/CMakeFiles/test8.dir/build.make tests/CMakeFiles/test8.dir/depend make[4]: Entering directory '/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/test8.dir/DependInfo.cmake --color= 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 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' [ 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 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' [ 88%] 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' [ 89%] 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 [ 90%] 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 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 90%] Built target test7 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 test8 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 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 93%] 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]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 94%] 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 [ 95%] 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 make[4]: Leaving directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 95%] 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' [ 96%] 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 [ 97%] 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' [ 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 1663.48 sec Start 5: test5 2/3 Test #5: test5 ............................ Passed 331.53 sec Start 8: test8 3/3 Test #8: test8 ............................ Passed 1694.51 sec 100% tests passed, 0 tests failed out of 3 Total Test time (real) = 3689.60 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) = 11 Energy at sites (8, 9) is -102.318658039011 Stats: nIt(DAVIDSON) = 18 Energy at sites (7, 8) is -106.854100346776 Stats: nIt(DAVIDSON) = 62 Energy at sites (6, 7) is -106.876441311709 Stats: nIt(DAVIDSON) = 60 Energy at sites (5, 6) is -106.905494307691 Stats: nIt(DAVIDSON) = 46 Energy at sites (4, 5) is -107.635355328137 Stats: nIt(DAVIDSON) = 31 Energy at sites (3, 4) is -107.648027021226 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648027021226 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648027021226 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 42.499684 seconds *** |--> S.join = 0.496213 seconds *** |--> S.solve = 37.796123 seconds *** |--> S.split = 1.594856 seconds *** |--> Tensor update = 2.612031 seconds *** |--> create = 0.486804 seconds *** |--> destroy = 0.001208 seconds *** |--> disk write = 0.110217 seconds *** |--> disk read = 0.104881 seconds *** |--> calc = 1.90886 seconds *** Disk write bandwidth = 5.31642476372605 MB/s *** Disk read bandwidth = 5.60582022255431 MB/s *** Minimum energy = -107.648027021226 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648027021226 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648027021226 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648027021226 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648027021226 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.64803981922 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.648250565871 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250565872 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250565871 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 10.39825 seconds *** |--> S.join = 0.489708 seconds *** |--> S.solve = 5.782107 seconds *** |--> S.split = 1.500567 seconds *** |--> Tensor update = 2.625441 seconds *** |--> create = 0.115308 seconds *** |--> destroy = 0.00141 seconds *** |--> disk write = 0.394429 seconds *** |--> disk read = 0.013327 seconds *** |--> calc = 2.100908 seconds *** Disk write bandwidth = 1.49062069665699 MB/s *** Disk read bandwidth = 43.9679138728591 MB/s *** Minimum energy = -107.648250565872 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.648250565871 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.648250565871 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250565871 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250565872 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.648250565871 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.648250867367 Stats: nIt(DAVIDSON) = 4 Energy at sites (3, 4) is -107.648250972502 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250972503 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250972503 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 9.600921 seconds *** |--> S.join = 0.399104 seconds *** |--> S.solve = 4.989748 seconds *** |--> S.split = 1.696273 seconds *** |--> Tensor update = 2.515304 seconds *** |--> create = 0.108995 seconds *** |--> destroy = 0.098328 seconds *** |--> disk write = 0.211903 seconds *** |--> disk read = 0.010914 seconds *** |--> calc = 2.085107 seconds *** Disk write bandwidth = 2.76522931805399 MB/s *** Disk read bandwidth = 53.8706277040241 MB/s *** Minimum energy = -107.648250972503 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250972503 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250972503 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250972503 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250972503 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.648250972595 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.648250973999 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250973999 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250973999 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 8.702259 seconds *** |--> S.join = 0.219925 seconds *** |--> S.solve = 3.974753 seconds *** |--> S.split = 1.593171 seconds *** |--> Tensor update = 2.911277 seconds *** |--> create = 0.113821 seconds *** |--> destroy = 0.001195 seconds *** |--> disk write = 0.212697 seconds *** |--> disk read = 0.20217 seconds *** |--> calc = 2.381342 seconds *** Disk write bandwidth = 2.76423283244107 MB/s *** Disk read bandwidth = 2.89835479143094 MB/s *** Minimum energy = -107.648250973999 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 4.08127533546576e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 1685 *** Minimum energy encountered during all instructions = -107.648250973999 *** Minimum energy encountered during the last sweep = -107.648250973999 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 6 Energy at sites (8, 9) is -107.648250973999 Stats: nIt(DAVIDSON) = 8 Energy at sites (7, 8) is -107.648250974 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.648250974002 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250974001 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.648250974004 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250974013 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 15.899399 seconds *** |--> S.join = 0.587195 seconds *** |--> S.solve = 11.379001 seconds *** |--> S.split = 1.310913 seconds *** |--> Tensor update = 2.621832 seconds *** |--> create = 0.022074 seconds *** |--> destroy = 0.001349 seconds *** |--> disk write = 0.209893 seconds *** |--> disk read = 0.106383 seconds *** |--> calc = 2.282073 seconds *** Disk write bandwidth = 2.7917100054961 MB/s *** Disk read bandwidth = 5.5266727838256 MB/s *** Minimum energy = -107.648250974013 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250974013 Stats: nIt(DAVIDSON) = 9 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 -107.648250974014 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 10.498635 seconds *** |--> S.join = 0.390685 seconds *** |--> S.solve = 5.876924 seconds *** |--> S.split = 1.503734 seconds *** |--> Tensor update = 2.726806 seconds *** |--> create = 0.209534 seconds *** |--> destroy = 0.001296 seconds *** |--> disk write = 0.304741 seconds *** |--> disk read = 0.107789 seconds *** |--> calc = 2.103391 seconds *** Disk write bandwidth = 1.92932369048378 MB/s *** Disk read bandwidth = 5.4361798345248 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.46087586472277e-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 = [ 1.99999530444266 , 1.99487994122778 , 1.98267954072694 ]. NOON of irrep B2g = [ 0.0748715523829389 ]. NOON of irrep B3g = [ 0.0748715522553057 ]. NOON of irrep B1u = [ 1.99999681839218 , 1.98658242709683 , 0.0188079711989624 ]. NOON of irrep B2u = [ 1.93365744609867 ]. NOON of irrep B3u = [ 1.93365744617773 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.00013100942928662 , 0.0515866782966306 , 0.0764971082736531 , 0.25771681906732 , 0.257716818872557 , 8.47155301556868e-05 , 0.0462800404867982 , 0.100736303353624 , 0.241506019786641 , 0.241506019592426 ]. Idistance(0) = 1.30939331266245 Idistance(1) = 5.42402999637495 Idistance(2) = 26.735548810944 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 10.106543 seconds *** |--> MPS gauge change = 3.457042 seconds *** |--> Diagram calc = 0.504154 seconds *** |--> Tensor update = 6.144122 seconds *** |--> create = 0.327542 seconds *** |--> destroy = 0.003586 seconds *** |--> disk write = 0.438352 seconds *** |--> disk read = 0.121892 seconds *** |--> calc = 5.252547 seconds *** Disk write bandwidth = 2.71614604645995 MB/s *** Disk read bandwidth = 9.76789331340705 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 = 155.600357 seconds FCI::matvec : Wall time = 148.798972 seconds FCI::matvec : Wall time = 155.303644 seconds FCI::matvec : Wall time = 156.296499 seconds FCI::matvec : Wall time = 76.498086 seconds FCI::matvec : Wall time = 118.803007 seconds FCI::matvec : Wall time = 156.097948 seconds FCI::matvec : Wall time = 72.89887 seconds FCI::matvec : Wall time = 143.998629 seconds FCI::matvec : Wall time = 39.401255 seconds FCI::matvec : Wall time = 120.798115 seconds FCI::matvec : Wall time = 141.302525 seconds FCI::matvec : Wall time = 155.89779 seconds FCI::matvec : Wall time = 131.897436 seconds FCI::matvec : Wall time = 156.099856 seconds FCI::matvec : Wall time = 159.897244 seconds FCI::matvec : Wall time = 159.699334 seconds FCI::matvec : Wall time = 159.405771 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974013 FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -7.59392285302184e-19 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) = 11 Energy at sites (8, 9) is -102.011416313847 Stats: nIt(DAVIDSON) = 41 Energy at sites (7, 8) is -106.320255786789 Stats: nIt(DAVIDSON) = 36 Energy at sites (6, 7) is -106.388763192902 Stats: nIt(DAVIDSON) = 62 Energy at sites (5, 6) is -107.317909155705 Stats: nIt(DAVIDSON) = 48 Energy at sites (4, 5) is -107.325595368288 Stats: nIt(DAVIDSON) = 20 Energy at sites (3, 4) is -107.328763026468 Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.328764694092 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328764694092 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 45.199955 seconds *** |--> S.join = 0.572828 seconds *** |--> S.solve = 40.485456 seconds *** |--> S.split = 1.611187 seconds *** |--> Tensor update = 2.529981 seconds *** |--> create = 0.118238 seconds *** |--> destroy = 0.001169 seconds *** |--> disk write = 0.113639 seconds *** |--> disk read = 0.011374 seconds *** |--> calc = 2.285505 seconds *** Disk write bandwidth = 7.43429407711179 MB/s *** Disk read bandwidth = 73.9583068600811 MB/s *** Minimum energy = -107.328764694092 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328764694092 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328764694092 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328764694092 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.328764696238 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.328767023519 Stats: nIt(DAVIDSON) = 6 Energy at sites (5, 6) is -107.328768891655 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768891655 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768891655 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 10.901516 seconds *** |--> S.join = 0.502507 seconds *** |--> S.solve = 6.288099 seconds *** |--> S.split = 1.593218 seconds *** |--> Tensor update = 2.513873 seconds *** |--> create = 0.393202 seconds *** |--> destroy = 0.001331 seconds *** |--> disk write = 0.017941 seconds *** |--> disk read = 0.012288 seconds *** |--> calc = 2.089057 seconds *** Disk write bandwidth = 46.8871178990336 MB/s *** Disk read bandwidth = 68.7520951032639 MB/s *** Minimum energy = -107.328768891655 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.328768891655 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.328768891655 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768891655 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768891655 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768891655 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.328768892105 Stats: nIt(DAVIDSON) = 3 Energy at sites (3, 4) is -107.328768897982 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768897982 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768897982 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 9.196425 seconds *** |--> S.join = 0.674918 seconds *** |--> S.solve = 4.291591 seconds *** |--> S.split = 1.597645 seconds *** |--> Tensor update = 2.533189 seconds *** |--> create = 0.024525 seconds *** |--> destroy = 0.095167 seconds *** |--> disk write = 0.106703 seconds *** |--> disk read = 0.012976 seconds *** |--> calc = 2.293761 seconds *** Disk write bandwidth = 7.91754444232033 MB/s *** Disk read bandwidth = 64.82751096074 MB/s *** Minimum energy = -107.328768897982 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328768897982 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768897982 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768897982 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.328768897982 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.328768898016 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768898016 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898016 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898016 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 8.40211 seconds *** |--> S.join = 0.466435 seconds *** |--> S.solve = 3.789242 seconds *** |--> S.split = 1.596191 seconds *** |--> Tensor update = 2.546001 seconds *** |--> create = 0.119595 seconds *** |--> destroy = 0.00122 seconds *** |--> disk write = 0.01796 seconds *** |--> disk read = 0.012221 seconds *** |--> calc = 2.394949 seconds *** Disk write bandwidth = 46.8375157141739 MB/s *** Disk read bandwidth = 69.1290192806568 MB/s *** Minimum energy = -107.328768898016 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 6.3605796185584e-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 = -107.328768898016 *** Minimum energy encountered during the last sweep = -107.328768898016 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 Energy at sites (8, 9) is -107.328768898017 Stats: nIt(DAVIDSON) = 10 Energy at sites (7, 8) is -107.328768898022 Stats: nIt(DAVIDSON) = 14 Energy at sites (6, 7) is -107.328768898028 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.328768898028 Stats: nIt(DAVIDSON) = 13 Energy at sites (4, 5) is -107.328768898028 Stats: nIt(DAVIDSON) = 15 Energy at sites (3, 4) is -107.328768898031 Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.328768898032 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 20.597985 seconds *** |--> S.join = 0.402015 seconds *** |--> S.solve = 16.003878 seconds *** |--> S.split = 1.581349 seconds *** |--> Tensor update = 2.512504 seconds *** |--> create = 0.116405 seconds *** |--> destroy = 0.001484 seconds *** |--> disk write = 0.206185 seconds *** |--> disk read = 0.195999 seconds *** |--> calc = 1.992367 seconds *** Disk write bandwidth = 4.09741612934455 MB/s *** Disk read bandwidth = 4.29186772497085 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) = 9 Energy at sites (3, 4) is -107.328768898033 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -107.328768898033 Stats: nIt(DAVIDSON) = 10 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 = 12.498326 seconds *** |--> S.join = 0.688545 seconds *** |--> S.solve = 7.584454 seconds *** |--> S.split = 1.603825 seconds *** |--> Tensor update = 2.619199 seconds *** |--> create = 0.119173 seconds *** |--> destroy = 0.001429 seconds *** |--> disk write = 0.113263 seconds *** |--> disk read = 0.096967 seconds *** |--> calc = 2.28831 seconds *** Disk write bandwidth = 7.42697776172768 MB/s *** Disk read bandwidth = 8.71250780810901 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.7024603948812e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** The total number of reduced MPS variables = 2280 *** Minimum energy encountered during all instructions = -107.328768898033 *** Minimum energy encountered during the last sweep = -107.328768898033 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898032 NOON of irrep Ag = [ 1.99999672241043 , 1.9957146301158 , 1.98497373610031 ]. NOON of irrep B2g = [ 0.538989905175443 ]. NOON of irrep B3g = [ 0.538989904906543 ]. NOON of irrep B1u = [ 1.99999702947249 , 1.99149890562913 , 0.0194690668126377 ]. NOON of irrep B2u = [ 1.46518504982417 ]. NOON of irrep B3u = [ 1.46518504955304 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862742748166 , 0.0587089375114404 , 0.0554792807074888 , 1.11957630010402 , 1.11957629996259 , 8.52797481976673e-05 , 0.0421718620959563 , 0.10500035282915 , 1.11261995845243 , 1.11261995859692 ]. Idistance(0) = 4.60188108160522 Idistance(1) = 17.7825010797716 Idistance(2) = 85.6947708265264 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 10.501891 seconds *** |--> MPS gauge change = 3.438334 seconds *** |--> Diagram calc = 0.88424 seconds *** |--> Tensor update = 6.178083 seconds *** |--> create = 0.240706 seconds *** |--> destroy = 0.003825 seconds *** |--> disk write = 0.421196 seconds *** |--> disk read = 0.209904 seconds *** |--> calc = 5.30221 seconds *** Disk write bandwidth = 4.06685730814566 MB/s *** Disk read bandwidth = 8.1606069001149 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 = 160.108854 seconds FCI::matvec : Wall time = 163.394801 seconds FCI::matvec : Wall time = 169.497656 seconds FCI::matvec : Wall time = 166.101816 seconds FCI::matvec : Wall time = 159.99808 seconds FCI::matvec : Wall time = 131.300329 seconds FCI::matvec : Wall time = 157.797435 seconds FCI::matvec : Wall time = 155.399301 seconds FCI::matvec : Wall time = 158.103891 seconds FCI::matvec : Wall time = 155.295988 seconds FCI::matvec : Wall time = 154.398995 seconds FCI::matvec : Wall time = 156.600775 seconds FCI::matvec : Wall time = 156.698068 seconds FCI::matvec : Wall time = 155.204375 seconds FCI::matvec : Wall time = 154.496477 seconds FCI::matvec : Wall time = 156.297505 seconds FCI::matvec : Wall time = 154.801764 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) = 15 Energy at sites (8, 9) is -104.922694269382 Stats: nIt(DAVIDSON) = 19 Energy at sites (7, 8) is -106.98453670487 Stats: nIt(DAVIDSON) = 21 Energy at sites (6, 7) is -106.994493338105 Stats: nIt(DAVIDSON) = 14 Energy at sites (5, 6) is -106.994860926883 Stats: nIt(DAVIDSON) = 16 Energy at sites (4, 5) is -106.997024970271 Stats: nIt(DAVIDSON) = 18 Energy at sites (3, 4) is -106.99907647015 Stats: nIt(DAVIDSON) = 14 Energy at sites (2, 3) is -107.007874469343 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007874469343 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 24.501629 seconds *** |--> S.join = 0.486548 seconds *** |--> S.solve = 19.88425 seconds *** |--> S.split = 1.501744 seconds *** |--> Tensor update = 2.628659 seconds *** |--> create = 0.215186 seconds *** |--> destroy = 0.001237 seconds *** |--> disk write = 0.018962 seconds *** |--> disk read = 0.294776 seconds *** |--> calc = 2.098448 seconds *** Disk write bandwidth = 10.2989986191544 MB/s *** Disk read bandwidth = 0.658826491278017 MB/s *** Minimum energy = -107.007874469343 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007874469343 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007874469343 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007874469343 Stats: nIt(DAVIDSON) = 6 Energy at sites (3, 4) is -107.007875078451 Stats: nIt(DAVIDSON) = 10 Energy at sites (4, 5) is -107.00787726158 Stats: nIt(DAVIDSON) = 10 Energy at sites (5, 6) is -107.007920339536 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -107.00792033964 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.00792033964 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 11.600382 seconds *** |--> S.join = 0.596438 seconds *** |--> S.solve = 6.89249 seconds *** |--> S.split = 1.508015 seconds *** |--> Tensor update = 2.602983 seconds *** |--> create = 0.018355 seconds *** |--> destroy = 0.001253 seconds *** |--> disk write = 0.104015 seconds *** |--> disk read = 0.19809 seconds *** |--> calc = 2.281218 seconds *** Disk write bandwidth = 1.86709837805094 MB/s *** Disk read bandwidth = 0.985863051221194 MB/s *** Minimum energy = -107.00792033964 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.00792033964 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.00792033964 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.00792033964 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.00792033964 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.00792033964 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.007920356805 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.00792040454 Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -107.007920596764 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920596764 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 9.499257 seconds *** |--> S.join = 0.503768 seconds *** |--> S.solve = 4.787603 seconds *** |--> S.split = 1.509615 seconds *** |--> Tensor update = 2.697854 seconds *** |--> create = 0.199887 seconds *** |--> destroy = 0.00135 seconds *** |--> disk write = 0.115817 seconds *** |--> disk read = 0.280334 seconds *** |--> calc = 2.100413 seconds *** Disk write bandwidth = 1.686191248404 MB/s *** Disk read bandwidth = 0.69276733394083 MB/s *** Minimum energy = -107.007920596764 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007920596764 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920596764 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007920596764 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.007920596872 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.007920596905 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.007920599397 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920599397 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599396 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 8.701327 seconds *** |--> S.join = 0.666913 seconds *** |--> S.solve = 3.903764 seconds *** |--> S.split = 1.499365 seconds *** |--> Tensor update = 2.628998 seconds *** |--> create = 0.116845 seconds *** |--> destroy = 0.001301 seconds *** |--> disk write = 0.026536 seconds *** |--> disk read = 0.105271 seconds *** |--> calc = 2.378994 seconds *** Disk write bandwidth = 7.31859503289753 MB/s *** Disk read bandwidth = 1.85511310632944 MB/s *** Minimum energy = -107.007920599397 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.59756689047208e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 631 *** Minimum energy encountered during all instructions = -107.007920599397 *** Minimum energy encountered during the last sweep = -107.007920599397 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 Energy at sites (8, 9) is -107.007920599398 Stats: nIt(DAVIDSON) = 8 Energy at sites (7, 8) is -107.0079205994 Stats: nIt(DAVIDSON) = 14 Energy at sites (6, 7) is -107.007920599403 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.007920599403 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.007920599403 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.007920599404 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 = 18.497534 seconds *** |--> S.join = 0.768482 seconds *** |--> S.solve = 13.711566 seconds *** |--> S.split = 1.494027 seconds *** |--> Tensor update = 2.521192 seconds *** |--> create = 0.018369 seconds *** |--> destroy = 0.002663 seconds *** |--> disk write = 0.11151 seconds *** |--> disk read = 0.010235 seconds *** |--> calc = 2.378367 seconds *** Disk write bandwidth = 1.75131927016775 MB/s *** Disk read bandwidth = 18.9747179084483 MB/s *** Minimum energy = -107.007920599438 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.007920599438 Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.007920599438 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.007920599439 Stats: nIt(DAVIDSON) = 7 Energy at sites (6, 7) is -107.007920599439 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599439 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 13.500998 seconds *** |--> S.join = 0.775554 seconds *** |--> S.solve = 8.710169 seconds *** |--> S.split = 1.598986 seconds *** |--> Tensor update = 2.414664 seconds *** |--> create = 0.109258 seconds *** |--> destroy = 0.001325 seconds *** |--> disk write = 0.015409 seconds *** |--> disk read = 0.010101 seconds *** |--> calc = 2.278526 seconds *** Disk write bandwidth = 12.6034290215438 MB/s *** Disk read bandwidth = 19.3336909035151 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 4.21209733758587e-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 = [ 1.99999761728573 , 1.99817458685765 , 1.99099529643435 ]. NOON of irrep B2g = [ 0.999157310961857 ]. NOON of irrep B3g = [ 0.999157310997174 ]. NOON of irrep B1u = [ 1.99999763398152 , 1.99356772579205 , 0.0151843204555001 ]. NOON of irrep B2u = [ 1.00188409859786 ]. NOON of irrep B3u = [ 1.00188409863628 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624942888216e-05 , 0.0439795116199945 , 0.0191227056702932 , 0.710073263316471 , 0.710073263086097 , 0.000114194275544448 , 0.0501988278835373 , 0.0847680573881462 , 0.709393186274745 , 0.709393186494005 ]. Idistance(0) = 1.96740724090865 Idistance(1) = 7.246829769133 Idistance(2) = 34.6048709954354 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 10.201995 seconds *** |--> MPS gauge change = 3.575449 seconds *** |--> Diagram calc = 0.778082 seconds *** |--> Tensor update = 5.753734 seconds *** |--> create = 0.415932 seconds *** |--> destroy = 0.003304 seconds *** |--> disk write = 0.227741 seconds *** |--> disk read = 0.027086 seconds *** |--> calc = 5.079475 seconds *** Disk write bandwidth = 1.79678922848145 MB/s *** Disk read bandwidth = 15.1075306683746 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 = 117.898279 seconds FCI::matvec : Wall time = 119.40455 seconds FCI::matvec : Wall time = 120.098086 seconds FCI::matvec : Wall time = 120.800729 seconds FCI::matvec : Wall time = 123.499254 seconds FCI::matvec : Wall time = 123.802303 seconds FCI::matvec : Wall time = 123.998903 seconds FCI::matvec : Wall time = 58.196395 seconds FCI::matvec : Wall time = 118.0018 seconds FCI::matvec : Wall time = 117.397784 seconds FCI::matvec : Wall time = 119.999668 seconds FCI::matvec : Wall time = 118.598016 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) = 14 Energy at sites (8, 9) is -102.816867842972 Stats: nIt(DAVIDSON) = 24 Energy at sites (7, 8) is -105.793729694169 Stats: nIt(DAVIDSON) = 64 Energy at sites (6, 7) is -105.903686597495 Stats: nIt(DAVIDSON) = 43 Energy at sites (5, 6) is -105.905859924109 Stats: nIt(DAVIDSON) = 36 Energy at sites (4, 5) is -106.135690091467 Stats: nIt(DAVIDSON) = 43 Energy at sites (3, 4) is -106.182022697645 Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -106.182022722444 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.182022722444 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 41.893303 seconds *** |--> S.join = 0.573872 seconds *** |--> S.solve = 36.993615 seconds *** |--> S.split = 1.69582 seconds *** |--> Tensor update = 2.628071 seconds *** |--> create = 0.019209 seconds *** |--> destroy = 0.094621 seconds *** |--> disk write = 0.019531 seconds *** |--> disk read = 0.012741 seconds *** |--> calc = 2.481915 seconds *** Disk write bandwidth = 10.3352885416933 MB/s *** Disk read bandwidth = 15.7581937433777 MB/s *** Minimum energy = -106.182022722444 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.182022722444 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.182022722444 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.182022722444 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.182022722444 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -106.182101466155 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.191452088032 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.19145209 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19145209 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 11.59216 seconds *** |--> S.join = 0.477603 seconds *** |--> S.solve = 6.489353 seconds *** |--> S.split = 1.398229 seconds *** |--> Tensor update = 3.224701 seconds *** |--> create = 0.01856 seconds *** |--> destroy = 0.001431 seconds *** |--> disk write = 0.811748 seconds *** |--> disk read = 0.100402 seconds *** |--> calc = 2.292507 seconds *** Disk write bandwidth = 0.247336792310391 MB/s *** Disk read bandwidth = 2.01050298308612 MB/s *** Minimum energy = -106.19145209 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 106.19145209 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.19145209 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19145209 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.19145209 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.19145209 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -106.191458710008 Stats: nIt(DAVIDSON) = 8 Energy at sites (3, 4) is -106.191466259472 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -106.191466265239 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466265239 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 10.398841 seconds *** |--> S.join = 0.48139 seconds *** |--> S.solve = 5.985378 seconds *** |--> S.split = 1.405311 seconds *** |--> Tensor update = 2.524561 seconds *** |--> create = 0.109732 seconds *** |--> destroy = 0.001383 seconds *** |--> disk write = 0.015684 seconds *** |--> disk read = 0.204072 seconds *** |--> calc = 2.193631 seconds *** Disk write bandwidth = 12.870346882671 MB/s *** Disk read bandwidth = 0.983844655241165 MB/s *** Minimum energy = -106.191466265239 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466265239 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466265239 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466265239 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.191466265239 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -106.191466270168 Stats: nIt(DAVIDSON) = 7 Energy at sites (5, 6) is -106.191466555829 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466555829 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466555829 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 9.300275 seconds *** |--> S.join = 0.68168 seconds *** |--> S.solve = 4.504175 seconds *** |--> S.split = 1.583982 seconds *** |--> Tensor update = 2.432171 seconds *** |--> create = 0.114026 seconds *** |--> destroy = 0.090535 seconds *** |--> disk write = 0.029034 seconds *** |--> disk read = 0.102657 seconds *** |--> calc = 2.095862 seconds *** Disk write bandwidth = 6.91517346849814 MB/s *** Disk read bandwidth = 1.96633956289208 MB/s *** Minimum energy = -106.191466555829 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.4465829309529e-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 = -106.191466555829 *** Minimum energy encountered during the last sweep = -106.191466555829 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 9 Energy at sites (8, 9) is -106.191466555853 Stats: nIt(DAVIDSON) = 11 Energy at sites (7, 8) is -106.191466555885 Stats: nIt(DAVIDSON) = 11 Energy at sites (6, 7) is -106.191466555888 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -106.191466555898 Stats: nIt(DAVIDSON) = 17 Energy at sites (4, 5) is -106.19146657294 Stats: nIt(DAVIDSON) = 17 Energy at sites (3, 4) is -106.19146657453 Stats: nIt(DAVIDSON) = 6 Energy at sites (2, 3) is -106.19146657453 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.19146657453 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 19.605148 seconds *** |--> S.join = 0.399017 seconds *** |--> S.solve = 14.97896 seconds *** |--> S.split = 1.791839 seconds *** |--> Tensor update = 2.434848 seconds *** |--> create = 0.122889 seconds *** |--> destroy = 0.002232 seconds *** |--> disk write = 0.016427 seconds *** |--> disk read = 0.189804 seconds *** |--> calc = 2.10344 seconds *** Disk write bandwidth = 12.2882157732886 MB/s *** Disk read bandwidth = 1.05780250407987 MB/s *** Minimum energy = -106.19146657453 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.19146657453 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.19146657453 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.19146657453 Stats: nIt(DAVIDSON) = 3 Energy at sites (3, 4) is -106.19146657453 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -106.19146657453 Stats: nIt(DAVIDSON) = 17 Energy at sites (5, 6) is -106.191466575847 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -106.191466575847 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575848 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 13.091396 seconds *** |--> S.join = 0.594022 seconds *** |--> S.solve = 8.289341 seconds *** |--> S.split = 1.404241 seconds *** |--> Tensor update = 2.803393 seconds *** |--> create = 0.200263 seconds *** |--> destroy = 0.001471 seconds *** |--> disk write = 0.120897 seconds *** |--> disk read = 0.103506 seconds *** |--> calc = 2.377198 seconds *** Disk write bandwidth = 1.66071239554642 MB/s *** Disk read bandwidth = 1.95021081394134 MB/s *** Minimum energy = -106.191466575848 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.00184899767919e-08 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575847 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575847 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -106.191466575847 Stats: nIt(DAVIDSON) = 15 Energy at sites (4, 5) is -106.191466575937 Stats: nIt(DAVIDSON) = 14 Energy at sites (3, 4) is -106.191466575943 Stats: nIt(DAVIDSON) = 5 Energy at sites (2, 3) is -106.191466575943 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575943 ****************************************************************** *** Information on left sweep 1 of instruction 1: *** Elapsed wall time = 12.693761 seconds *** |--> S.join = 0.404929 seconds *** |--> S.solve = 8.27114 seconds *** |--> S.split = 1.314247 seconds *** |--> Tensor update = 2.703064 seconds *** |--> create = 0.115439 seconds *** |--> destroy = 0.09648 seconds *** |--> disk write = 0.018244 seconds *** |--> disk read = 0.193963 seconds *** |--> calc = 2.278879 seconds *** Disk write bandwidth = 11.0643784536183 MB/s *** Disk read bandwidth = 1.03512085544344 MB/s *** Minimum energy = -106.191466575943 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466575943 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575943 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466575943 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -106.191466575943 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -106.191466575943 Stats: nIt(DAVIDSON) = 14 Energy at sites (5, 6) is -106.19146657595 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19146657595 ****************************************************************** *** Information on right sweep 1 of instruction 1: *** Elapsed wall time = 11.60185 seconds *** |--> S.join = 0.500317 seconds *** |--> S.solve = 6.994493 seconds *** |--> S.split = 1.503752 seconds *** |--> Tensor update = 2.600974 seconds *** |--> create = 0.205827 seconds *** |--> destroy = 0.001279 seconds *** |--> disk write = 0.021025 seconds *** |--> disk read = 0.191009 seconds *** |--> calc = 2.181782 seconds *** Disk write bandwidth = 9.54935298379905 MB/s *** Disk read bandwidth = 1.05680109580079 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.01891828307998e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575949 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.19146657595 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -106.19146657595 Stats: nIt(DAVIDSON) = 11 Energy at sites (3, 4) is -106.19146657595 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.19146657595 ****************************************************************** *** Information on left sweep 2 of instruction 1: *** Elapsed wall time = 11.498345 seconds *** |--> S.join = 0.508522 seconds *** |--> S.solve = 6.965948 seconds *** |--> S.split = 1.694444 seconds *** |--> Tensor update = 2.328921 seconds *** |--> create = 0.112202 seconds *** |--> destroy = 0.001469 seconds *** |--> disk write = 0.109318 seconds *** |--> disk read = 0.104811 seconds *** |--> calc = 2.001069 seconds *** Disk write bandwidth = 1.8465259198651 MB/s *** Disk read bandwidth = 1.91559231840527 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.19146657595 Stats: nIt(DAVIDSON) = 5 Energy at sites (4, 5) is -106.19146657595 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.19146657595 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19146657595 ****************************************************************** *** Information on right sweep 2 of instruction 1: *** Elapsed wall time = 10.402217 seconds *** |--> S.join = 0.585093 seconds *** |--> S.solve = 5.793666 seconds *** |--> S.split = 1.307753 seconds *** |--> Tensor update = 2.715281 seconds *** |--> create = 0.021058 seconds *** |--> destroy = 0.001453 seconds *** |--> disk write = 0.111657 seconds *** |--> disk read = 0.105952 seconds *** |--> calc = 2.475103 seconds *** Disk write bandwidth = 1.79814204648499 MB/s *** Disk read bandwidth = 1.90518839198705 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 6.25277607468888e-13 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** The total number of reduced MPS variables = 621 *** Minimum energy encountered during all instructions = -106.19146657595 *** Minimum energy encountered during the last sweep = -106.19146657595 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595 NOON of irrep Ag = [ 1.99999399659723 , 1.99366325672418 , 1.8719004925467 ]. NOON of irrep B2g = [ 0.584814269782971 ]. NOON of irrep B3g = [ 0.584814294054812 ]. NOON of irrep B1u = [ 1.99999783389176 , 1.12096429132194 , 1.00219410769012 ]. NOON of irrep B2u = [ 1.42082871523218 ]. NOON of irrep B3u = [ 1.4208287421581 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128176165367e-05 , 0.0722109526721837 , 0.460791906318535 , 1.13075778974794 , 1.13075779817428 , 6.17502956992032e-05 , 0.977139014208543 , 0.735936480251051 , 1.12042723968773 , 1.12042722623399 ]. Idistance(0) = 5.65234392137141 Idistance(1) = 19.8382955955361 Idistance(2) = 88.8195401117312 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 10.108015 seconds *** |--> MPS gauge change = 3.181662 seconds *** |--> Diagram calc = 0.786319 seconds *** |--> Tensor update = 6.13689 seconds *** |--> create = 0.230471 seconds *** |--> destroy = 0.186008 seconds *** |--> disk write = 0.038106 seconds *** |--> disk read = 0.306938 seconds *** |--> calc = 5.375151 seconds *** Disk write bandwidth = 11.0833042845328 MB/s *** Disk read bandwidth = 1.37597949118847 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 = 119.399644 seconds FCI::matvec : Wall time = 123.196197 seconds FCI::matvec : Wall time = 121.900887 seconds FCI::matvec : Wall time = 121.395255 seconds FCI::matvec : Wall time = 120.001618 seconds FCI::matvec : Wall time = 118.097966 seconds FCI::matvec : Wall time = 117.802187 seconds FCI::matvec : Wall time = 117.705934 seconds FCI::matvec : Wall time = 121.301905 seconds FCI::matvec : Wall time = 124.106589 seconds FCI::matvec : Wall time = 122.500159 seconds FCI::matvec : Wall time = 117.690677 seconds FCI::matvec : Wall time = 118.199682 seconds FCI::matvec : Wall time = 118.101804 seconds FCI::matvec : Wall time = 118.401524 seconds FCI::matvec : Wall time = 118.297856 seconds FCI::matvec : Wall time = 118.999694 seconds FCI::matvec : Wall time = 118.599606 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 -102.165086168313 Stats: nIt(DAVIDSON) = 30 Energy at sites (7, 8) is -106.574805915303 Stats: nIt(DAVIDSON) = 44 Energy at sites (6, 7) is -106.778922663647 Stats: nIt(DAVIDSON) = 61 Energy at sites (5, 6) is -107.30023429576 Stats: nIt(DAVIDSON) = 36 Energy at sites (4, 5) is -107.34592613885 Stats: nIt(DAVIDSON) = 18 Energy at sites (3, 4) is -107.346037769461 Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -107.346039169383 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346039169383 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 42.101867 seconds *** |--> S.join = 0.583032 seconds *** |--> S.solve = 37.206094 seconds *** |--> S.split = 1.68505 seconds *** |--> Tensor update = 2.527825 seconds *** |--> create = 0.023294 seconds *** |--> destroy = 0.001358 seconds *** |--> disk write = 0.112595 seconds *** |--> disk read = 0.009992 seconds *** |--> calc = 2.380536 seconds *** Disk write bandwidth = 7.27196253025223 MB/s *** Disk read bandwidth = 81.5815310940158 MB/s *** Minimum energy = -107.346039169383 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346039169383 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346039169383 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346039169383 Stats: nIt(DAVIDSON) = 3 Energy at sites (3, 4) is -107.34603917056 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.346039198122 Stats: nIt(DAVIDSON) = 12 Energy at sites (5, 6) is -107.346321032022 Stats: nIt(DAVIDSON) = 5 Energy at sites (6, 7) is -107.346325787625 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346325787625 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 11.603514 seconds *** |--> S.join = 0.587884 seconds *** |--> S.solve = 6.808578 seconds *** |--> S.split = 1.494205 seconds *** |--> Tensor update = 2.710683 seconds *** |--> create = 0.119293 seconds *** |--> destroy = 0.001463 seconds *** |--> disk write = 0.297692 seconds *** |--> disk read = 0.104869 seconds *** |--> calc = 2.187315 seconds *** Disk write bandwidth = 2.73827532715493 MB/s *** Disk read bandwidth = 7.80770886624026 MB/s *** Minimum energy = -107.346325787625 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.346325787625 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346325787625 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346325787625 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346325787625 Stats: nIt(DAVIDSON) = 5 Energy at sites (5, 6) is -107.346325791856 Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -107.346326072174 Stats: nIt(DAVIDSON) = 4 Energy at sites (3, 4) is -107.346326111058 Stats: nIt(DAVIDSON) = 2 Energy at sites (2, 3) is -107.34632611133 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.34632611133 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 10.393399 seconds *** |--> S.join = 0.579428 seconds *** |--> S.solve = 5.591572 seconds *** |--> S.split = 1.501297 seconds *** |--> Tensor update = 2.720684 seconds *** |--> create = 0.023298 seconds *** |--> destroy = 0.001545 seconds *** |--> disk write = 0.300121 seconds *** |--> disk read = 0.096606 seconds *** |--> calc = 2.29906 seconds *** Disk write bandwidth = 2.72818836767087 MB/s *** Disk read bandwidth = 8.43801273928541 MB/s *** Minimum energy = -107.34632611133 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.34632611133 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.34632611133 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.34632611133 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.34632611133 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.346326111359 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.346326114937 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326114936 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326114937 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 8.910716 seconds *** |--> S.join = 0.403493 seconds *** |--> S.solve = 4.195964 seconds *** |--> S.split = 1.585447 seconds *** |--> Tensor update = 2.72535 seconds *** |--> create = 0.120887 seconds *** |--> destroy = 0.001499 seconds *** |--> disk write = 0.208153 seconds *** |--> disk read = 0.197347 seconds *** |--> calc = 2.197406 seconds *** Disk write bandwidth = 3.91617059898924 MB/s *** Disk read bandwidth = 4.14896918166352 MB/s *** Minimum energy = -107.346326114937 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 3.27312221770626e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** The total number of reduced MPS variables = 2128 *** Minimum energy encountered during all instructions = -107.346326114937 *** Minimum energy encountered during the last sweep = -107.346326114937 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 Energy at sites (8, 9) is -107.346326114938 Stats: nIt(DAVIDSON) = 10 Energy at sites (7, 8) is -107.346326114942 Stats: nIt(DAVIDSON) = 12 Energy at sites (6, 7) is -107.346326114946 Stats: nIt(DAVIDSON) = 18 Energy at sites (5, 6) is -107.346326114947 Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.34632611502 Stats: nIt(DAVIDSON) = 13 Energy at sites (3, 4) is -107.346326115022 Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115023 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 20.188899 seconds *** |--> S.join = 0.571817 seconds *** |--> S.solve = 15.498367 seconds *** |--> S.split = 1.49975 seconds *** |--> Tensor update = 2.616796 seconds *** |--> create = 0.117366 seconds *** |--> destroy = 0.00171 seconds *** |--> disk write = 0.305257 seconds *** |--> disk read = 0.105574 seconds *** |--> calc = 2.086831 seconds *** Disk write bandwidth = 2.68228614280344 MB/s *** Disk read bandwidth = 7.72124442278787 MB/s *** Minimum energy = -107.346326115023 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115023 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115023 Stats: nIt(DAVIDSON) = 8 Energy at sites (3, 4) is -107.346326115023 Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -107.346326115023 Stats: nIt(DAVIDSON) = 14 Energy at sites (5, 6) is -107.346326115024 Stats: nIt(DAVIDSON) = 6 Energy at sites (6, 7) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115025 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 13.202836 seconds *** |--> S.join = 0.21714 seconds *** |--> S.solve = 8.868143 seconds *** |--> S.split = 1.504895 seconds *** |--> Tensor update = 2.61221 seconds *** |--> create = 0.206213 seconds *** |--> destroy = 0.001349 seconds *** |--> disk write = 0.3064 seconds *** |--> disk read = 0.194662 seconds *** |--> calc = 1.903527 seconds *** Disk write bandwidth = 2.66045254142104 MB/s *** Disk read bandwidth = 4.20619648978101 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 8.77378170116572e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** The total number of reduced MPS variables = 2128 *** Minimum energy encountered during all instructions = -107.346326115025 *** Minimum energy encountered during the last sweep = -107.346326115025 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115025 NOON of irrep Ag = [ 1.9999901853497 , 1.99292174943568 , 1.03221286252209 ]. NOON of irrep B2g = [ 1.02415310202036 ]. NOON of irrep B3g = [ 0.0896934285796325 ]. NOON of irrep B1u = [ 1.99999295584636 , 1.95039154189389 , 0.0159495084645493 ]. NOON of irrep B2u = [ 1.91962159305378 ]. NOON of irrep B3u = [ 1.97507307283397 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121323056186632 , 0.0447141664891282 , 0.838966972650605 , 0.790658959723015 , 0.317368558494506 , 9.24989497123419e-05 , 0.227634120611139 , 0.0907424520522783 , 0.299652802524788 , 0.133979295449039 ]. Idistance(0) = 1.57215406873295 Idistance(1) = 5.15805447439465 Idistance(2) = 21.9866411314162 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 10.398914 seconds *** |--> MPS gauge change = 3.633541 seconds *** |--> Diagram calc = 0.872851 seconds *** |--> Tensor update = 5.891698 seconds *** |--> create = 0.152445 seconds *** |--> destroy = 0.004124 seconds *** |--> disk write = 0.229766 seconds *** |--> disk read = 0.027515 seconds *** |--> calc = 5.477631 seconds *** Disk write bandwidth = 7.22850980428526 MB/s *** Disk read bandwidth = 60.3621945735565 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 = 164.199079 seconds FCI::matvec : Wall time = 166.796218 seconds FCI::matvec : Wall time = 158.704437 seconds FCI::matvec : Wall time = 162.204537 seconds FCI::matvec : Wall time = 158.192077 seconds FCI::matvec : Wall time = 156.899431 seconds FCI::matvec : Wall time = 159.897694 seconds FCI::matvec : Wall time = 161.103592 seconds FCI::matvec : Wall time = 158.79626 seconds FCI::matvec : Wall time = 157.199271 seconds FCI::matvec : Wall time = 157.501681 seconds FCI::matvec : Wall time = 159.700086 seconds FCI::matvec : Wall time = 160.30137 seconds FCI::matvec : Wall time = 161.601766 seconds FCI::matvec : Wall time = 164.298932 seconds FCI::matvec : Wall time = 164.099199 seconds FCI::matvec : Wall time = 157.897571 seconds FCI::matvec : Wall time = 156.202969 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) = 13 Energy at sites (8, 9) is -102.238918064075 Stats: nIt(DAVIDSON) = 36 Energy at sites (7, 8) is -106.249105417119 Stats: nIt(DAVIDSON) = 44 Energy at sites (6, 7) is -106.95012823616 Stats: nIt(DAVIDSON) = 52 Energy at sites (5, 6) is -107.186132645318 Stats: nIt(DAVIDSON) = 42 Energy at sites (4, 5) is -107.189647158682 Stats: nIt(DAVIDSON) = 36 Energy at sites (3, 4) is -107.199533457535 Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.199557576921 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199557576921 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 45.596544 seconds *** |--> S.join = 0.68417 seconds *** |--> S.solve = 40.991817 seconds *** |--> S.split = 1.210834 seconds *** |--> Tensor update = 2.615094 seconds *** |--> create = 0.024621 seconds *** |--> destroy = 0.00139 seconds *** |--> disk write = 0.110676 seconds *** |--> disk read = 0.01185 seconds *** |--> calc = 2.4665 seconds *** Disk write bandwidth = 7.60037310747559 MB/s *** Disk read bandwidth = 70.6797410667194 MB/s *** Minimum energy = -107.199557576921 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199557576921 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199557576921 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199557576921 Stats: nIt(DAVIDSON) = 6 Energy at sites (3, 4) is -107.199557585967 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.199567182376 Stats: nIt(DAVIDSON) = 17 Energy at sites (5, 6) is -107.199617120552 Stats: nIt(DAVIDSON) = 5 Energy at sites (6, 7) is -107.199617312252 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617312252 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 13.603039 seconds *** |--> S.join = 0.486844 seconds *** |--> S.solve = 8.99378 seconds *** |--> S.split = 1.398564 seconds *** |--> Tensor update = 2.723432 seconds *** |--> create = 0.118861 seconds *** |--> destroy = 0.001483 seconds *** |--> disk write = 0.109578 seconds *** |--> disk read = 0.19895 seconds *** |--> calc = 2.294501 seconds *** Disk write bandwidth = 7.6434588296978 MB/s *** Disk read bandwidth = 4.22809195296793 MB/s *** Minimum energy = -107.199617312252 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.199617312252 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.199617312252 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617312252 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.199617312252 Stats: nIt(DAVIDSON) = 4 Energy at sites (5, 6) is -107.199617312456 Stats: nIt(DAVIDSON) = 5 Energy at sites (4, 5) is -107.199617360657 Stats: nIt(DAVIDSON) = 6 Energy at sites (3, 4) is -107.199617420047 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.199617421459 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421459 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 10.498659 seconds *** |--> S.join = 0.49381 seconds *** |--> S.solve = 5.976387 seconds *** |--> S.split = 1.408577 seconds *** |--> Tensor update = 2.619455 seconds *** |--> create = 0.11841 seconds *** |--> destroy = 0.001493 seconds *** |--> disk write = 0.112276 seconds *** |--> disk read = 0.014879 seconds *** |--> calc = 2.372336 seconds *** Disk write bandwidth = 7.492063255219 MB/s *** Disk read bandwidth = 56.2910767955256 MB/s *** Minimum energy = -107.199617421459 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199617421459 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421459 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421459 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.199617421459 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.199617421549 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -107.199617421872 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -107.199617421899 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421899 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 8.703113 seconds *** |--> S.join = 0.684383 seconds *** |--> S.solve = 3.992481 seconds *** |--> S.split = 1.620493 seconds *** |--> Tensor update = 2.403496 seconds *** |--> create = 0.024579 seconds *** |--> destroy = 0.001479 seconds *** |--> disk write = 0.113543 seconds *** |--> disk read = 0.012542 seconds *** |--> calc = 2.251297 seconds *** Disk write bandwidth = 7.37654396696076 MB/s *** Disk read bandwidth = 67.0689598184475 MB/s *** Minimum energy = -107.199617421899 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.09646805412922e-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 = -107.199617421899 *** Minimum energy encountered during the last sweep = -107.199617421899 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 Energy at sites (8, 9) is -107.199617421903 Stats: nIt(DAVIDSON) = 10 Energy at sites (7, 8) is -107.199617421906 Stats: nIt(DAVIDSON) = 16 Energy at sites (6, 7) is -107.199617421909 Stats: nIt(DAVIDSON) = 24 Energy at sites (5, 6) is -107.199617421915 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.199617421916 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 = 22.198191 seconds *** |--> S.join = 0.588469 seconds *** |--> S.solve = 17.308575 seconds *** |--> S.split = 1.797495 seconds *** |--> Tensor update = 2.501346 seconds *** |--> create = 0.289996 seconds *** |--> destroy = 0.001516 seconds *** |--> disk write = 0.115985 seconds *** |--> disk read = 0.010046 seconds *** |--> calc = 2.083751 seconds *** Disk write bandwidth = 7.25248001071663 MB/s *** Disk read bandwidth = 83.3719820466479 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 4 Energy at sites (3, 4) is -107.199617421919 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.199617421919 Stats: nIt(DAVIDSON) = 17 Energy at sites (5, 6) is -107.199617421919 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421918 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 14.192193 seconds *** |--> S.join = 0.761493 seconds *** |--> S.solve = 9.303404 seconds *** |--> S.split = 1.588271 seconds *** |--> Tensor update = 2.534974 seconds *** |--> create = 0.023171 seconds *** |--> destroy = 0.001379 seconds *** |--> disk write = 0.120454 seconds *** |--> disk read = 0.103187 seconds *** |--> calc = 2.286732 seconds *** Disk write bandwidth = 6.95331771166275 MB/s *** Disk read bandwidth = 8.15198517296722 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.94404492503963e-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 = [ 1.99998814650989 , 1.98924041563701 , 1.87687857987548 ]. NOON of irrep B2g = [ 0.139387811360673 ]. NOON of irrep B3g = [ 1.03112739712654 ]. NOON of irrep B1u = [ 1.99999431244151 , 1.10839164069181 , 0.0211636956766269 ]. NOON of irrep B2u = [ 1.96715797356678 ]. NOON of irrep B3u = [ 1.86667002711366 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980014752482 , 0.0818410216432746 , 0.449623198335064 , 0.486645055788702 , 0.811029481718515 , 6.68868115639592e-05 , 0.962046613675062 , 0.112095070339585 , 0.167176150409062 , 0.475082461467187 ]. Idistance(0) = 2.38445939191398 Idistance(1) = 9.5799827401148 Idistance(2) = 47.8783646905031 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 10.110019 seconds *** |--> MPS gauge change = 3.45359 seconds *** |--> Diagram calc = 0.860665 seconds *** |--> Tensor update = 5.794597 seconds *** |--> create = 0.057662 seconds *** |--> destroy = 0.004075 seconds *** |--> disk write = 0.142635 seconds *** |--> disk read = 0.20956 seconds *** |--> calc = 5.380432 seconds *** Disk write bandwidth = 11.9581472260654 MB/s *** Disk read bandwidth = 8.13919798429969 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 = 156.203578 seconds FCI::matvec : Wall time = 159.49627 seconds FCI::matvec : Wall time = 163.901327 seconds FCI::matvec : Wall time = 165.495837 seconds FCI::matvec : Wall time = 162.100827 seconds FCI::matvec : Wall time = 161.292635 seconds FCI::matvec : Wall time = 157.80661 seconds FCI::matvec : Wall time = 157.998216 seconds FCI::matvec : Wall time = 156.6015 seconds FCI::matvec : Wall time = 156.301849 seconds FCI::matvec : Wall time = 159.800044 seconds FCI::matvec : Wall time = 158.302483 seconds FCI::matvec : Wall time = 161.012157 seconds FCI::matvec : Wall time = 164.706646 seconds FCI::matvec : Wall time = 164.205568 seconds FCI::matvec : Wall time = 169.007666 seconds FCI::matvec : Wall time = 170.686441 seconds FCI::matvec : Wall time = 159.485638 seconds FCI::matvec : Wall time = 159.988458 seconds FCI::matvec : Wall time = 158.976637 seconds FCI::matvec : Wall time = 161.597304 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' [ 67%] 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 test1 make[4]: Entering directory '/build/chemps2-DTqEha/chemps2-1.8.10/obj-x86_64-linux-gnu' [ 71%] Built target test14 [ 73%] Built target chemps2-bin 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' [ 76%] Built target test3 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 [ 80%] Built target test6 [ 82%] Built target test12 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' [ 84%] Built target test2 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 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' [ 89%] Built target test8 [ 91%] Built target test13 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' [ 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' [ 96%] Built target test9 [ 97%] Built target test11 [100%] Built target test10 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/DMRGSCFoptions.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/Wigner.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/Options.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/FCI.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/Hamiltonian.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/ConvergenceScheme.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/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/TensorO.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/TensorQ.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/TensorL.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/TensorX.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/EdmistonRuedenberg.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/Cumulant.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/Correlations.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/TensorF1.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/TwoDM.h -- 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/TensorKM.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/Initialize.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/DMRGSCFwtilde.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/Molden.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/Problem.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/ThreeDM.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/CASPT2.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/FourIndex.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/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/chemps2-1.8.10-25xsaeazk I: cleaning package lists and apt cache... I: creating tarball... I: done I: removing tempdir /tmp/mmdebstrap.VjZ_NQqwyT... I: success in 19970.9720 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