StartDate: 2026-02-05 11:14:31+00:00 CpuId: 32x AMD EPYC (3rd Gen) (Milan) [Zen 3], 7nm (SMT disabled) CommitSHA: fde685aa930698f7ac4f3590f29faf5c89e6f6da CommitTime: 2026-02-05 11:39:14 +0100 CommitAuthor: bramlinden CommitSubject: Update input_cp2k_xc.F #################### Building Image cp2k-spack-psmp-gcc15 #################### Dockerfile: /tools/docker/Dockerfile.test_spack_psmp-gcc15 Build-Path: / Build-Args: GIT_COMMIT_SHA=fde685aa930698f7ac4f3590f29faf5c89e6f6da SPACK_CACHE=gs://cp2k-spack-cache Build-Cache: Yes Populating docker build cache... done. DEPRECATED: The legacy builder is deprecated and will be removed in a future release. BuildKit is currently disabled; enable it by removing the DOCKER_BUILDKIT=0 environment-variable. Sending build context to Docker daemon 409.2MB Step 1/21 : ARG BASE_IMAGE="ubuntu:24.04" Step 2/21 : FROM "${BASE_IMAGE}" AS build_cp2k 24.04: Pulling from library/ubuntu a3629ac5b9f4: Pulling fs layer a3629ac5b9f4: Verifying Checksum a3629ac5b9f4: Download complete a3629ac5b9f4: Pull complete Digest: sha256:cd1dba651b3080c3686ecf4e3c4220f026b521fb76978881737d24f200828b2b Status: Downloaded newer image for ubuntu:24.04 ---> 493218ed0f40 Step 3/21 : RUN apt-get update -qq && apt-get install -qq --no-install-recommends bzip2 ca-certificates cmake g++ gcc gfortran git gnupg libssh-dev libssl-dev libtool libtool-bin lsb-release make ninja-build patch pkgconf python3 python3-dev python3-pip python3-venv unzip wget xxd xz-utils zstd && rm -rf /var/lib/apt/lists/* ---> Running in 89ff6915c06c debconf: delaying package configuration, since apt-utils is not installed (Reading database ... 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Preparing to unpack .../libc6_2.39-0ubuntu8.7_amd64.deb ... debconf: unable to initialize frontend: Dialog debconf: (TERM is not set, so the dialog frontend is not usable.) debconf: falling back to frontend: Readline debconf: unable to initialize frontend: Readline debconf: (Can't locate Term/ReadLine.pm in @INC (you may need to install the Term::ReadLine module) (@INC entries checked: /etc/perl /usr/local/lib/x86_64-linux-gnu/perl/5.38.2 /usr/local/share/perl/5.38.2 /usr/lib/x86_64-linux-gnu/perl5/5.38 /usr/share/perl5 /usr/lib/x86_64-linux-gnu/perl-base /usr/lib/x86_64-linux-gnu/perl/5.38 /usr/share/perl/5.38 /usr/local/lib/site_perl) at /usr/share/perl5/Debconf/FrontEnd/Readline.pm line 8.) debconf: falling back to frontend: Teletype Unpacking libc6:amd64 (2.39-0ubuntu8.7) over (2.39-0ubuntu8.6) ... Setting up libc6:amd64 (2.39-0ubuntu8.7) ... debconf: unable to initialize frontend: Dialog debconf: (TERM is not set, so the dialog frontend is not usable.) debconf: falling back to frontend: Readline debconf: unable to initialize frontend: Readline debconf: (Can't locate Term/ReadLine.pm in @INC (you may need to install the Term::ReadLine module) (@INC entries checked: /etc/perl /usr/local/lib/x86_64-linux-gnu/perl/5.38.2 /usr/local/share/perl/5.38.2 /usr/lib/x86_64-linux-gnu/perl5/5.38 /usr/share/perl5 /usr/lib/x86_64-linux-gnu/perl-base /usr/lib/x86_64-linux-gnu/perl/5.38 /usr/share/perl/5.38 /usr/local/lib/site_perl) at /usr/share/perl5/Debconf/FrontEnd/Readline.pm line 8.) debconf: falling back to frontend: Teletype (Reading database ... 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Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8 to /lib/x86_64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8.2 to /lib/x86_64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8 to /lib/x86_64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8.2 to /lib/x86_64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:amd64 (8.2-4build1) ... Selecting previously unselected package libsqlite3-0:amd64. Preparing to unpack .../6-libsqlite3-0_3.45.1-1ubuntu2.5_amd64.deb ... Unpacking libsqlite3-0:amd64 (3.45.1-1ubuntu2.5) ... Selecting previously unselected package libpython3.12-stdlib:amd64. Preparing to unpack .../7-libpython3.12-stdlib_3.12.3-1ubuntu0.10_amd64.deb ... Unpacking libpython3.12-stdlib:amd64 (3.12.3-1ubuntu0.10) ... 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Setting up libsqlite3-0:amd64 (3.45.1-1ubuntu2.5) ... Setting up libuv1t64:amd64 (1.48.0-1.1build1) ... Setting up libmagic1t64:amd64 (1:5.45-3build1) ... Setting up binutils-common:amd64 (2.42-4ubuntu2.8) ... Setting up libpsl5t64:amd64 (0.21.2-1.1build1) ... Setting up libnghttp2-14:amd64 (1.59.0-1ubuntu0.2) ... Setting up linux-libc-dev:amd64 (6.8.0-94.96) ... Setting up libctf-nobfd0:amd64 (2.42-4ubuntu2.8) ... Setting up file (1:5.45-3build1) ... Setting up libgomp1:amd64 (14.2.0-4ubuntu2~24.04) ... Setting up bzip2 (1.0.8-5.1build0.1) ... Setting up xxd (2:9.1.0016-1ubuntu7.9) ... Setting up libsframe1:amd64 (2.42-4ubuntu2.8) ... Setting up ninja-build (1.11.1-2) ... Setting up libjansson4:amd64 (2.14-2build2) ... Setting up libkrb5support0:amd64 (1.20.1-6ubuntu2.6) ... Setting up libsasl2-modules-db:amd64 (2.1.28+dfsg1-5ubuntu3.1) ... Setting up tzdata (2025b-0ubuntu0.24.04.1) ... debconf: unable to initialize frontend: Dialog debconf: (TERM is not set, so the dialog frontend is not usable.) debconf: falling back to frontend: Readline debconf: unable to initialize frontend: Readline debconf: (This frontend requires a controlling tty.) debconf: falling back to frontend: Teletype Configuring tzdata ------------------ Please select the geographic area in which you live. Subsequent configuration questions will narrow this down by presenting a list of cities, representing the time zones in which they are located. 1. Africa 4. Arctic 7. Australia 10. Pacific 2. America 5. Asia 8. Europe 11. Etc 3. Antarctica 6. Atlantic 9. Indian 12. Legacy Geographic area: Use of uninitialized value $_[1] in join or string at /usr/share/perl5/Debconf/DbDriver/Stack.pm line 112. Current default time zone: '/UTC' Local time is now: Thu Feb 5 11:16:15 UTC 2026. Universal Time is now: Thu Feb 5 11:16:15 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Use of uninitialized value $val in substitution (s///) at /usr/share/perl5/Debconf/Format/822.pm line 84, line 4. Use of uninitialized value $val in concatenation (.) or string at /usr/share/perl5/Debconf/Format/822.pm line 85, line 4. Setting up autotools-dev (20220109.1) ... Setting up libpkgconf3:amd64 (1.8.1-2build1) ... Setting up rpcsvc-proto (1.4.2-0ubuntu7) ... Setting up gcc-13-base:amd64 (13.3.0-6ubuntu2~24.04) ... Setting up make (4.3-4.1build2) ... Setting up libmpfr6:amd64 (4.2.1-1build1.1) ... Setting up librtmp1:amd64 (2.4+20151223.gitfa8646d.1-2build7) ... Setting up xz-utils (5.6.1+really5.4.5-1ubuntu0.2) ... update-alternatives: using /usr/bin/xz to provide /usr/bin/lzma (lzma) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/lzma.1.gz because associated file /usr/share/man/man1/xz.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/unlzma.1.gz because associated file /usr/share/man/man1/unxz.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/lzcat.1.gz because associated file /usr/share/man/man1/xzcat.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/lzmore.1.gz because associated file /usr/share/man/man1/xzmore.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/lzless.1.gz because associated file /usr/share/man/man1/xzless.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/lzdiff.1.gz because associated file /usr/share/man/man1/xzdiff.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/lzcmp.1.gz because associated file /usr/share/man/man1/xzcmp.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/lzgrep.1.gz because associated file /usr/share/man/man1/xzgrep.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/lzegrep.1.gz because associated file /usr/share/man/man1/xzegrep.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/lzfgrep.1.gz because associated file /usr/share/man/man1/xzfgrep.1.gz (of link group lzma) doesn't exist Setting up perl-modules-5.38 (5.38.2-3.2ubuntu0.2) ... Setting up libquadmath0:amd64 (14.2.0-4ubuntu2~24.04) ... Setting up libssl-dev:amd64 (3.0.13-0ubuntu3.7) ... Setting up libmpc3:amd64 (1.3.1-1build1.1) ... Setting up libatomic1:amd64 (14.2.0-4ubuntu2~24.04) ... Setting up patch (2.7.6-7build3) ... Setting up libjsoncpp25:amd64 (1.9.5-6build1) ... Setting up pkgconf-bin (1.8.1-2build1) ... Setting up libk5crypto3:amd64 (1.20.1-6ubuntu2.6) ... Setting up libsasl2-2:amd64 (2.1.28+dfsg1-5ubuntu3.1) ... Setting up libgfortran5:amd64 (14.2.0-4ubuntu2~24.04) ... Setting up libubsan1:amd64 (14.2.0-4ubuntu2~24.04) ... Setting up libicu74:amd64 (74.2-1ubuntu3.1) ... Setting up libhwasan0:amd64 (14.2.0-4ubuntu2~24.04) ... Setting up librhash0:amd64 (1.4.3-3build1) ... Setting up libcrypt-dev:amd64 (1:4.4.36-4build1) ... Setting up libasan8:amd64 (14.2.0-4ubuntu2~24.04) ... Setting up git-man (1:2.43.0-1ubuntu7.3) ... Setting up netbase (6.4) ... Setting up cmake-data (3.28.3-1build7) ... Setting up libkrb5-3:amd64 (1.20.1-6ubuntu2.6) ... Setting up libperl5.38t64:amd64 (5.38.2-3.2ubuntu0.2) ... Setting up libtsan2:amd64 (14.2.0-4ubuntu2~24.04) ... Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... Setting up libbinutils:amd64 (2.42-4ubuntu2.8) ... Setting up lsb-release (12.0-2) ... Setting up libisl23:amd64 (0.26-3build1.1) ... Setting up libc-dev-bin (2.39-0ubuntu8.7) ... Setting up openssl (3.0.13-0ubuntu3.7) ... Setting up readline-common (8.2-4build1) ... Setting up libxml2:amd64 (2.9.14+dfsg-1.3ubuntu3.7) ... Setting up zstd (1.5.5+dfsg2-2build1.1) ... Setting up libcc1-0:amd64 (14.2.0-4ubuntu2~24.04) ... Setting up libldap2:amd64 (2.6.10+dfsg-0ubuntu0.24.04.1) ... Setting up liblsan0:amd64 (14.2.0-4ubuntu2~24.04) ... Setting up libitm1:amd64 (14.2.0-4ubuntu2~24.04) ... Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... Setting up gnupg-utils (2.4.4-2ubuntu17.4) ... Setting up libctf0:amd64 (2.42-4ubuntu2.8) ... Setting up wget (1.21.4-1ubuntu4.1) ... Setting up cpp-13-x86-64-linux-gnu (13.3.0-6ubuntu2~24.04) ... Setting up pkgconf:amd64 (1.8.1-2build1) ... Setting up ca-certificates (20240203) ... debconf: unable to initialize frontend: Dialog debconf: (TERM is not set, so the dialog frontend is not usable.) debconf: falling back to frontend: Readline debconf: unable to initialize frontend: Readline debconf: (This frontend requires a controlling tty.) debconf: falling back to frontend: Teletype Updating certificates in /etc/ssl/certs... 146 added, 0 removed; done. Setting up perl (5.38.2-3.2ubuntu0.2) ... Setting up libgprofng0:amd64 (2.42-4ubuntu2.8) ... Setting up libgssapi-krb5-2:amd64 (1.20.1-6ubuntu2.6) ... Setting up libjs-sphinxdoc (7.2.6-6) ... Setting up libssh-4:amd64 (0.10.6-2ubuntu0.2) ... Setting up libreadline8t64:amd64 (8.2-4build1) ... Setting up libgcc-13-dev:amd64 (13.3.0-6ubuntu2~24.04) ... Setting up gpgconf (2.4.4-2ubuntu17.4) ... Setting up libc6-dev:amd64 (2.39-0ubuntu8.7) ... Setting up libgfortran-13-dev:amd64 (13.3.0-6ubuntu2~24.04) ... Setting up libarchive13t64:amd64 (3.7.2-2ubuntu0.5) ... Setting up gpg (2.4.4-2ubuntu17.4) ... Setting up libstdc++-13-dev:amd64 (13.3.0-6ubuntu2~24.04) ... Setting up binutils-x86-64-linux-gnu (2.42-4ubuntu2.8) ... Setting up cpp-x86-64-linux-gnu (4:13.2.0-7ubuntu1) ... Setting up gpg-agent (2.4.4-2ubuntu17.4) ... Setting up libpython3.12-stdlib:amd64 (3.12.3-1ubuntu0.10) ... Setting up cpp-13 (13.3.0-6ubuntu2~24.04) ... Setting up libcurl4t64:amd64 (8.5.0-2ubuntu10.6) ... Setting up python3-pip-whl (24.0+dfsg-1ubuntu1.3) ... Setting up gcc-13-x86-64-linux-gnu (13.3.0-6ubuntu2~24.04) ... Setting up python3.12 (3.12.3-1ubuntu0.10) ... Setting up gpgsm (2.4.4-2ubuntu17.4) ... Setting up libcurl3t64-gnutls:amd64 (8.5.0-2ubuntu10.6) ... Setting up binutils (2.42-4ubuntu2.8) ... Setting up gfortran-13-x86-64-linux-gnu (13.3.0-6ubuntu2~24.04) ... Setting up liberror-perl (0.17029-2) ... Setting up libpython3.12t64:amd64 (3.12.3-1ubuntu0.10) ... Setting up dirmngr (2.4.4-2ubuntu17.4) ... Setting up libexpat1-dev:amd64 (2.6.1-2ubuntu0.3) ... Setting up gcc-13 (13.3.0-6ubuntu2~24.04) ... Setting up keyboxd (2.4.4-2ubuntu17.4) ... Setting up git (1:2.43.0-1ubuntu7.3) ... Setting up zlib1g-dev:amd64 (1:1.3.dfsg-3.1ubuntu2.1) ... Setting up cpp (4:13.2.0-7ubuntu1) ... Setting up gnupg (2.4.4-2ubuntu17.4) ... Setting up cmake (3.28.3-1build7) ... Setting up libpython3-stdlib:amd64 (3.12.3-0ubuntu2.1) ... Setting up g++-13-x86-64-linux-gnu (13.3.0-6ubuntu2~24.04) ... Setting up gcc-x86-64-linux-gnu (4:13.2.0-7ubuntu1) ... Setting up python3.12-venv (3.12.3-1ubuntu0.10) ... Setting up libtool (2.4.7-7build1) ... Setting up python3 (3.12.3-0ubuntu2.1) ... running python rtupdate hooks for python3.12... running python post-rtupdate hooks for python3.12... Setting up libpython3.12-dev:amd64 (3.12.3-1ubuntu0.10) ... Setting up gfortran-x86-64-linux-gnu (4:13.2.0-7ubuntu1) ... Setting up python3-wheel (0.42.0-2) ... Setting up gcc (4:13.2.0-7ubuntu1) ... Setting up libssh-dev:amd64 (0.10.6-2ubuntu0.2) ... Setting up python3-venv (3.12.3-0ubuntu2.1) ... Setting up gfortran-13 (13.3.0-6ubuntu2~24.04) ... Setting up python3.12-dev (3.12.3-1ubuntu0.10) ... Setting up g++-x86-64-linux-gnu (4:13.2.0-7ubuntu1) ... Setting up python3-pkg-resources (68.1.2-2ubuntu1.2) ... Setting up g++-13 (13.3.0-6ubuntu2~24.04) ... Setting up libtool-bin (2.4.7-7build1) ... Setting up libpython3-dev:amd64 (3.12.3-0ubuntu2.1) ... Setting up python3-setuptools (68.1.2-2ubuntu1.2) ... Setting up gfortran (4:13.2.0-7ubuntu1) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/f95.1.gz because associated file /usr/share/man/man1/gfortran.1.gz (of link group f95) doesn't exist update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/f77.1.gz because associated file /usr/share/man/man1/gfortran.1.gz (of link group f77) doesn't exist Setting up python3-dev (3.12.3-0ubuntu2.1) ... Setting up python3-pip (24.0+dfsg-1ubuntu1.3) ... Setting up g++ (4:13.2.0-7ubuntu1) ... update-alternatives: using /usr/bin/g++ to provide /usr/bin/c++ (c++) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/c++.1.gz because associated file /usr/share/man/man1/g++.1.gz (of link group c++) doesn't exist Processing triggers for libc-bin (2.39-0ubuntu8.7) ... Processing triggers for ca-certificates (20240203) ... Updating certificates in /etc/ssl/certs... 0 added, 0 removed; done. Running hooks in /etc/ca-certificates/update.d... done. ---> Removed intermediate container 89ff6915c06c ---> 3a18f145d5d8 Step 4/21 : ARG SPACK_CACHE="s3://spack-cache --s3-endpoint-url=http://localhost:9000" ---> Running in e24291e280d8 ---> Removed intermediate container e24291e280d8 ---> e6c93696acf5 Step 5/21 : WORKDIR /opt ---> Running in 8fb8c2164653 ---> Removed intermediate container 8fb8c2164653 ---> cf9000daeb1e Step 6/21 : COPY . cp2k/ ---> efb2a46e257b Step 7/21 : WORKDIR /opt/cp2k ---> Running in b8c45c71a3fe ---> Removed intermediate container b8c45c71a3fe ---> 577bcbd52ab9 Step 8/21 : RUN /bin/bash -o pipefail -c "source ./make_cp2k.sh -bd_only -cv psmp -gv 15 -mpi mpich -ue" ---> Running in c55bb6b803cf make_cp2k.sh: Running script in sourcing mode make_cp2k.sh: All changes from this script will become effective within the current shell INFO: Using bash version 5.2.21(1)-release BUILD_DEPS = always BUILD_DEPS_ONLY = yes CMAKE_BUILD_TYPE = Release CP2K_VERSION = psmp DISABLE_LOCAL_CACHE = no GCC_VERSION = 15 INSTALL_PREFIX = /opt/cp2k/install INSTALL_MESSAGE = NEVER IN_CONTAINER = yes MPI_MODE = mpich NUM_PROCS = 32 (processes) RUN_TEST = no USE_EXTERNALS = yes VERBOSE_FLAG = --quiet VERBOSE_MAKEFILE = OFF VERBOSE = 0 Installing virtual environment for Python packages Installing boto3 module SPACK_CACHE = "gs://cp2k-spack-cache" spack-public [s ] https://mirror.spack.io Setting up local spack cache remote: Enumerating objects: 19701, done. remote: Counting objects: 0% (1/19701) remote: Counting objects: 1% (198/19701) remote: Counting objects: 2% (395/19701) remote: Counting objects: 3% (592/19701) remote: Counting objects: 4% (789/19701) remote: Counting objects: 5% (986/19701) remote: Counting objects: 6% (1183/19701) remote: Counting objects: 7% (1380/19701) remote: Counting objects: 8% (1577/19701) remote: Counting objects: 9% (1774/19701) remote: Counting objects: 10% (1971/19701) remote: Counting objects: 11% (2168/19701) remote: Counting 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(9288/10554) remote: Compressing objects: 89% (9394/10554) remote: Compressing objects: 90% (9499/10554) remote: Compressing objects: 91% (9605/10554) remote: Compressing objects: 92% (9710/10554) remote: Compressing objects: 93% (9816/10554) remote: Compressing objects: 94% (9921/10554) remote: Compressing objects: 95% (10027/10554) remote: Compressing objects: 96% (10132/10554) remote: Compressing objects: 97% (10238/10554) remote: Compressing objects: 98% (10343/10554) remote: Compressing objects: 99% (10449/10554) remote: Compressing objects: 100% (10554/10554) remote: Compressing objects: 100% (10554/10554), done. remote: Total 19701 (delta 1337), reused 13773 (delta 1223), pack-reused 0 (from 0) ==> Added 1 new compiler to /opt/cp2k/spack/spack-1.1.0/etc/spack/packages.yaml gcc@13.3.0 ==> Compilers are defined in the following files: /opt/cp2k/spack/spack-1.1.0/etc/spack/packages.yaml The newest GCC compiler version found by spack is gcc@13.3.0 The Spack environment "cp2k_env" does NOT exist The Spack environment "cp2k_env" has been created The Spack environment "cp2k_env" has been activated Spack built-in repo already present ... skipping add ==> Added repo to config with name 'cp2k_dev'. [+] cp2k_dev v2.2 /opt/cp2k/tools/spack/spack_repo/cp2k_dev [+] builtin v2.2 /opt/cp2k/spack/cache/package_repos/fncqgg4/repos/spack_repo/builtin ==> The following specs have been detected on this system and added to /opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env/spack.yaml -- no arch / no compilers --------------------------------------- binutils@2.42 cmake@3.28.3 coreutils@9.4 diffutils@3.10 findutils@4.9.0 git@2.43.0 gmake@4.3 libtool@2.4.7 ninja@1.11.1 openssl@3.0.13 perl@5.38.2 pkgconf@1.8.1 pkgconfig python@3.12.3 python@3.12.3 sed@4.9 tar@1.35 ==> Fetching https://ghcr.io/v2/spack/bootstrap-buildcache-v2.2/blobs/sha256:9cf62674ef82cfa5cbb156bae59f369346da800713d54336956371c80e71c6c3 ==> Fetching https://ghcr.io/v2/spack/bootstrap-buildcache-v2.2/blobs/sha256:cc238348fb1a3b70351d784ec61f7843d0cc9ca5de745ce98e6bea7cd00787ea ==> Installing "clingo-bootstrap@=spack~apps~docs+ipo+optimized+python+static_libstdcpp build_system=cmake build_type=Release commit=2a025667090d71b2c9dce60fe924feb6bde8f667 generator=make patches:=bebb819,ec99431 platform=linux os=centos7 target=x86_64" from a buildcache ==> Concretized 38 specs: - pz6fbza adios2@2.10.2~aws+blosc2~bzip2~campaign~cuda~dataman~dataspaces+fortran~hdf5~ipo~kokkos+libcatalyst~libpressio+mgard+mpi+pic+png~python~rocm+shared+sst~sycl+sz+zfp build_system=cmake build_type=Release generator=make patches:=5b56f4b,d854008 platform=linux os=ubuntu24.04 target=zen2 %c,cxx,fortran=gcc@13.3.0 - oyk2gm3 ^c-blosc2@2.15.1+avx2~ipo+lizard+lz4+snappy+zlib+zstd build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 %c=gcc@13.3.0 - pdejyj2 ^lizard@2.1 build_system=makefile platform=linux os=ubuntu24.04 target=zen2 %c=gcc@13.3.0 - vvjy6s2 ^lz4@1.10.0~ipo+pic build_system=cmake build_type=Release generator=make libs:=shared,static platform=linux os=ubuntu24.04 target=zen2 %c,cxx=gcc@13.3.0 - pbemwvc ^snappy@1.2.1~ipo+pic+shared build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 %c,cxx=gcc@13.3.0 - cpbsuow ^compiler-wrapper@1.0 build_system=generic platform=linux os=ubuntu24.04 target=zen2 [e] uwfdr2q ^gcc@13.3.0~binutils+bootstrap~graphite~mold~nvptx~piclibs~profiled~strip build_system=autotools build_type=RelWithDebInfo languages:='c,c++,fortran' platform=linux os=ubuntu24.04 target=x86_64 - 3eqru2m ^gcc-runtime@13.3.0 build_system=generic platform=linux os=ubuntu24.04 target=zen2 [e] 4bfivdk ^glibc@2.39 build_system=autotools platform=linux os=ubuntu24.04 target=x86_64 - riftym5 ^libcatalyst@2.0.0~conduit~fortran~ipo+mpi~python build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 %c,cxx,fortran=gcc@13.3.0 - abnwvwh ^libffi@3.5.2 build_system=autotools platform=linux os=ubuntu24.04 target=zen2 %c,cxx=gcc@13.3.0 - j32nh7q ^libpng@1.6.47~ipo+pic build_system=cmake build_type=Release generator=make libs:=shared,static platform=linux os=ubuntu24.04 target=zen2 %c,cxx=gcc@13.3.0 - 7hlmvc7 ^mgard@compat-2023-12-09~cuda~ipo+openmp~rocm+serial~timing~unstructured build_system=cmake build_type=Release commit=d61d8c06c49a72b2e582cc02de88b7b27e1275d2 generator=make patches:=3c72d1d,4cbb01c,7137bcb platform=linux os=ubuntu24.04 target=zen2 %c,cxx=gcc@13.3.0 - 222udap ^libarchive@3.8.0+iconv build_system=autotools compression:=bz2lib,lz4,lzma,lzo2,zlib,zstd crypto=openssl libs:=shared,static programs:=none xar=libxml2 platform=linux os=ubuntu24.04 target=zen2 %c,cxx=gcc@13.3.0 - 5fzauuq ^bzip2@1.0.8~debug+pic+shared build_system=generic platform=linux os=ubuntu24.04 target=zen2 %c=gcc@13.3.0 - pfqt3oz ^libiconv@1.18 build_system=autotools libs:=shared,static platform=linux os=ubuntu24.04 target=zen2 %c=gcc@13.3.0 - tuqbsie ^lzo@2.10 build_system=autotools libs:=shared,static platform=linux os=ubuntu24.04 target=zen2 %c=gcc@13.3.0 [e] n5jtnl2 ^openssl@3.0.13~docs+shared build_system=generic certs=mozilla platform=linux os=ubuntu24.04 target=x86_64 [e] 5jnemzn ^sed@4.9 build_system=autotools platform=linux os=ubuntu24.04 target=x86_64 [e] nuoltep ^pkgconf@1.8.1 build_system=autotools platform=linux os=ubuntu24.04 target=x86_64 - 2fivvmj ^sz@2.1.12.5~examples~fortran~hdf5~ipo~netcdf+openmp~pastri~python~random_access+shared~stats~time_compression build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 %c,cxx=gcc@13.3.0 - mj7hihn ^zfp@0.5.5~aligned~c~cuda~fasthash~fortran~ipo+openmp~profile~python+shared~strided~twoway+utilities bsws=64 build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 %c,cxx,fortran=gcc@13.3.0 [e] mtwflxn cmake@3.28.3~doc+ncurses+ownlibs~qtgui build_system=generic build_type=Release platform=linux os=ubuntu24.04 target=x86_64 - 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uytsplb ^psimd@2020-05-17~ipo build_system=cmake build_type=Release commit=072586a71b55b7f8c584153d223e95687148a900 generator=ninja platform=linux os=ubuntu24.04 target=zen2 %c,cxx=gcc@13.3.0 - gf3imzp ^pthreadpool@2023-08-29~ipo build_system=cmake build_type=Release commit=4fe0e1e183925bf8cfa6aae24237e724a96479b8 generator=ninja platform=linux os=ubuntu24.04 target=zen2 %c,cxx=gcc@13.3.0 - 3l6wruq ^py-filelock@3.19.1 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - ujq3yvw ^py-hatch-vcs@0.5.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - m5mcxlu ^py-hatchling@1.27.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - pg3j7xq ^py-pathspec@0.12.1 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - junnkk4 ^py-pluggy@1.6.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - 5fkkplc ^py-trove-classifiers@2025.9.11.17 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - 7uo5xur ^py-calver@2025.4.17 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - ctpo5s2 ^py-fsspec@2025.9.0~http build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - c65fp2p ^py-jinja2@3.1.6~i18n build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - uebkqg5 ^py-flit-core@3.12.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - 4wzhdff ^py-markupsafe@3.0.2 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 %c=gcc@13.3.0 - cv6ui63 ^py-networkx@2.7.1+default~extra build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - jopair6 ^py-numpy@1.26.4 build_system=python_pip patches:=873745d platform=linux os=ubuntu24.04 target=zen2 %c,cxx=gcc@13.3.0 - s2hnlya ^py-meson-python@0.18.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 %c=gcc@13.3.0 - fc4v23x ^py-pyproject-metadata@0.9.1 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - m6wphir ^py-packaging@25.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - aw56uox ^py-pip@25.1.1 build_system=generic platform=linux os=ubuntu24.04 target=zen2 - swyihfl ^py-protobuf@3.13.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 %c=gcc@13.3.0 - tvobavh ^py-pybind11@3.0.1+ipo build_system=cmake build_type=Release generator=ninja platform=linux os=ubuntu24.04 target=zen2 %cxx=gcc@13.3.0 - vflwbcw ^py-scikit-build-core@0.11.5~pyproject build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 %c,cxx,fortran=gcc@13.3.0 - qeofm4k ^py-pyyaml@6.0.3+libyaml build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - 2xzj6pr ^libyaml@0.2.5 build_system=autotools platform=linux os=ubuntu24.04 target=zen2 %c=gcc@13.3.0 - 6emkyr7 ^py-requests@2.32.5~socks build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - x2hhsah ^py-certifi@2025.7.14 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - gbfjbkn ^py-charset-normalizer@3.4.4 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - 7r5l4ru ^py-idna@3.10 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - 6ekltpg ^py-urllib3@2.5.0~brotli~socks build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - sewp6eu ^py-setuptools@79.0.1 build_system=generic platform=linux os=ubuntu24.04 target=zen2 - jb63grk ^py-six@1.17.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - rgqdhxx ^py-sympy@1.13.3 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - 7qf2dda ^py-mpmath@1.3.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - qs2767l ^py-tqdm@4.67.1~notebook~telegram build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - 4oncvxa ^py-setuptools-scm@8.2.1+toml build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 [e] q265psb ^git@2.43.0+man+nls+perl+subtree~tcltk build_system=autotools platform=linux os=ubuntu24.04 target=x86_64 - asn2qh3 ^py-typing-extensions@4.14.1 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 - amyt5ka ^py-wheel@0.45.1 build_system=generic platform=linux os=ubuntu24.04 target=zen2 - rjzgl3r ^python-venv@1.0 build_system=generic platform=linux os=ubuntu24.04 target=zen2 - bysqf6b ^sleef@3.8~ipo build_system=cmake build_type=Release generator=ninja platform=linux os=ubuntu24.04 target=zen2 %c=gcc@13.3.0 [e] y3upldp python@3.12.3+bz2+crypt+ctypes+dbm~debug+libxml2+lzma~optimizations+pic+pyexpat+pythoncmd+readline+shared+sqlite3+ssl~tkinter+uuid+zlib build_system=generic platform=linux os=ubuntu24.04 target=x86_64 - xgmv3hg sirius@7.9.0~apps~cuda~dftd3~dftd4~dlaf~elpa+fortran~ipo~magma+memory_pool~nlcglib~nvtx+openmp+profiler+pugixml~python~rocm~scalapack+shared~single_precision~tests~vcsqnm+vdwxc~wannier90 build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 %c,cxx,fortran=gcc@13.3.0 - k6dd3lm ^fmt@11.0.2~ipo+pic~shared build_system=cmake build_type=Release cxxstd=17 generator=make platform=linux os=ubuntu24.04 target=zen2 %c,cxx=gcc@13.3.0 - 77py3sw ^pugixml@1.14~ipo+pic+shared build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 %cxx=gcc@13.3.0 - 56tt3b7 spfft@1.1.1~cuda~fortran~gpu_direct~ipo+mpi+openmp~rocm~single_precision~static build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 %c,cxx=gcc@13.3.0 - dyt5dme spglib@2.5.0+fortran~ipo+openmp~tests build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 %c,cxx,fortran=gcc@13.3.0 - tydlxo5 spla@1.6.1~cuda+fortran~ipo~rocm~static build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 %c,cxx,fortran=gcc@13.3.0 - tnpl2b7 tblite@0.5.0~ipo+openmp~python build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 %c,fortran=gcc@13.3.0 - be7ggjq ^meson@1.8.5 build_system=python_pip patches:=0f0b1bd platform=linux os=ubuntu24.04 target=zen2 - basc77c trexio@2.5.0+hdf5~ipo build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 %c,fortran=gcc@13.3.0 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /374sumuqfcusjpjmyttp4jzrh32jah2g # ninja@1.11.1+re2c build_system=generic platform=linux os=ubuntu24.04 target=x86_64 [+] /usr (external ninja-1.11.1-374sumuqfcusjpjmyttp4jzrh32jah2g) ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /n5jtnl2yylvhlefpsprlaroajrhk4bpv # openssl@3.0.13~docs+shared build_system=generic certs=mozilla platform=linux os=ubuntu24.04 target=x86_64 [+] /usr (external openssl-3.0.13-n5jtnl2yylvhlefpsprlaroajrhk4bpv) ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /clj2hd6m5gpnfjj7j3fyg5rcinmemv5a # findutils@4.9.0 build_system=autotools platform=linux os=ubuntu24.04 target=x86_64 [+] /usr (external findutils-4.9.0-clj2hd6m5gpnfjj7j3fyg5rcinmemv5a) /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /uwfdr2q5yjm74qe7rxeukihjupvhft6q # gcc@13.3.0~binutils+bootstrap~graphite~mold~nvptx~piclibs~profiled~strip build_system=autotools build_type=RelWithDebInfo languages:='c,c++,fortran' platform=linux os=ubuntu24.04 target=x86_64 [+] /usr (external gcc-13.3.0-uwfdr2q5yjm74qe7rxeukihjupvhft6q) /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /cpbsuow6nma4ib5tcxdpqkl3m2dkxher # compiler-wrapper@1.0 build_system=generic platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/1d/1d99705d8dd8b94d71d09511beb8fd4a8f0a7fe77d2c48576b9cc153e13ccf60 ==> Extracting compiler-wrapper-1.0-cpbsuow6nma4ib5tcxdpqkl3m2dkxher from binary cache ==> compiler-wrapper: Successfully installed compiler-wrapper-1.0-cpbsuow6nma4ib5tcxdpqkl3m2dkxher Search: 0.00s. Fetch: 0.62s. Install: 0.03s. Extract: 0.01s. Relocate: 0.01s. Total: 0.66s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/compiler-wrapper-1.0-cpbsuow6nma4ib5tcxdpqkl3m2dkxher ==> Installing compiler-wrapper-1.0-cpbsuow6nma4ib5tcxdpqkl3m2dkxher /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /sm3xfaid65lfd3dfhys5gmzrpuxnc4kw # binutils@2.42~debuginfod~gas+gold~gprofng~headers~interwork~ld~libiberty~lto~nls~pgo+plugins build_system=autotools compress_debug_sections=zlib libs:=shared,static platform=linux os=ubuntu24.04 target=x86_64 [+] /usr (external binutils-2.42-sm3xfaid65lfd3dfhys5gmzrpuxnc4kw) /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /nvaulahs3mkckeies2agact6mwqh5jnr # diffutils@3.10 build_system=autotools platform=linux os=ubuntu24.04 target=x86_64 [+] /usr (external diffutils-3.10-nvaulahs3mkckeies2agact6mwqh5jnr) /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /mtwflxnk5go54w4de2mr75iarojivk63 # cmake@3.28.3~doc+ncurses+ownlibs~qtgui build_system=generic build_type=Release platform=linux os=ubuntu24.04 target=x86_64 [+] /usr (external cmake-3.28.3-mtwflxnk5go54w4de2mr75iarojivk63) /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /nuoltep7ghbowmp64ruf3lo7h6u33sxy # pkgconf@1.8.1 build_system=autotools platform=linux os=ubuntu24.04 target=x86_64 [+] /usr (external pkgconf-1.8.1-nuoltep7ghbowmp64ruf3lo7h6u33sxy) /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /jjaagfktm2vwojtn55uhhmrpks24isd6 # tar@1.35 build_system=autotools zip=pigz platform=linux os=ubuntu24.04 target=x86_64 [+] /usr (external tar-1.35-jjaagfktm2vwojtn55uhhmrpks24isd6) /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /oh6kumuxbuzfurvlx7ffwjj7dbjp22ij # perl@5.38.2~cpanm+opcode+open+shared+threads build_system=generic platform=linux os=ubuntu24.04 target=x86_64 [+] /usr (external perl-5.38.2-oh6kumuxbuzfurvlx7ffwjj7dbjp22ij) /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /q265psb5ghvkdl5zppl6ai5pcj6turfn # git@2.43.0+man+nls+perl+subtree~tcltk build_system=autotools platform=linux os=ubuntu24.04 target=x86_64 [+] /usr (external git-2.43.0-q265psb5ghvkdl5zppl6ai5pcj6turfn) /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /5jnemznu3nhwlm6rsindmta6hhhcbzvm # sed@4.9 build_system=autotools platform=linux os=ubuntu24.04 target=x86_64 [+] /usr (external sed-4.9-5jnemznu3nhwlm6rsindmta6hhhcbzvm) /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /yyqdpvhua5hgt5b6kquxhovqwyyxhakb # gmake@4.3~guile build_system=generic platform=linux os=ubuntu24.04 target=x86_64 [+] /usr (external gmake-4.3-yyqdpvhua5hgt5b6kquxhovqwyyxhakb) /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /wh2rfpp327gv2neax2v5bn62d4sbc52j # libtool@2.4.7 build_system=autotools platform=linux os=ubuntu24.04 target=x86_64 [+] /usr (external libtool-2.4.7-wh2rfpp327gv2neax2v5bn62d4sbc52j) /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /4bfivdkeg4jj64esmnemhojxf5wlw2km # glibc@2.39 build_system=autotools platform=linux os=ubuntu24.04 target=x86_64 [+] /usr (external glibc-2.39-4bfivdkeg4jj64esmnemhojxf5wlw2km) /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /y3upldpchjheh4uhsoffnffudgvfvi26 # python@3.12.3+bz2+crypt+ctypes+dbm~debug+libxml2+lzma~optimizations+pic+pyexpat+pythoncmd+readline+shared+sqlite3+ssl~tkinter+uuid+zlib build_system=generic platform=linux os=ubuntu24.04 target=x86_64 [+] /opt/cp2k/spack/venv (external python-3.12.3-y3upldpchjheh4uhsoffnffudgvfvi26) /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /s5laosfa46bcp6chp45ig2eixgzk5w45 # util-macros@1.20.1 build_system=autotools platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/b8/b8060c9a790c1c0289c9d3b4fafd2f918ace2004d274993d1b5cc43b5a48c4c1 ==> Extracting util-macros-1.20.1-s5laosfa46bcp6chp45ig2eixgzk5w45 from binary cache ==> util-macros: Successfully installed util-macros-1.20.1-s5laosfa46bcp6chp45ig2eixgzk5w45 Search: 0.00s. Fetch: 0.64s. Install: 0.01s. Extract: 0.01s. Relocate: 0.00s. Total: 0.66s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/util-macros-1.20.1-s5laosfa46bcp6chp45ig2eixgzk5w45 ==> Installing util-macros-1.20.1-s5laosfa46bcp6chp45ig2eixgzk5w45 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /i6rtzgm7hvrrfnyqwkdkshumvsnltg2g # autoconf-archive@2023.02.20 build_system=autotools platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/7f/7fe30682c087df6d52aa0a886a13864627dda057a02b35753eee58222e30adaa ==> Extracting autoconf-archive-2023.02.20-i6rtzgm7hvrrfnyqwkdkshumvsnltg2g from binary cache ==> autoconf-archive: Successfully installed autoconf-archive-2023.02.20-i6rtzgm7hvrrfnyqwkdkshumvsnltg2g Search: 0.00s. Fetch: 0.68s. Install: 0.13s. Extract: 0.12s. Relocate: 0.00s. Total: 0.81s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/autoconf-archive-2023.02.20-i6rtzgm7hvrrfnyqwkdkshumvsnltg2g ==> Installing autoconf-archive-2023.02.20-i6rtzgm7hvrrfnyqwkdkshumvsnltg2g /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /rjzgl3r4ldioec247aaqmpfiuagbv6y3 # python-venv@1.0 build_system=generic platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/94/94c0aa29a9853a4c0ba2c0fdebc4a70de8924edb1749801ce9841e690aa8939f ==> Extracting python-venv-1.0-rjzgl3r4ldioec247aaqmpfiuagbv6y3 from binary cache ==> python-venv: Successfully installed python-venv-1.0-rjzgl3r4ldioec247aaqmpfiuagbv6y3 Search: 0.00s. Fetch: 0.64s. Install: 0.01s. Extract: 0.01s. Relocate: 0.00s. Total: 0.65s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/python-venv-1.0-rjzgl3r4ldioec247aaqmpfiuagbv6y3 ==> Installing python-venv-1.0-rjzgl3r4ldioec247aaqmpfiuagbv6y3 ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /3eqru2mivrnphgr7msxclitni6o5gd6w # gcc-runtime@13.3.0 build_system=generic platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/63/63e6df5cb21a29e8906f599997bd1c7b52722eebee51e1f96e13b973ccfeebed ==> Extracting gcc-runtime-13.3.0-3eqru2mivrnphgr7msxclitni6o5gd6w from binary cache ==> gcc-runtime: Successfully installed gcc-runtime-13.3.0-3eqru2mivrnphgr7msxclitni6o5gd6w Search: 0.00s. Fetch: 0.95s. Install: 0.42s. Extract: 0.37s. Relocate: 0.04s. Total: 1.37s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/gcc-runtime-13.3.0-3eqru2mivrnphgr7msxclitni6o5gd6w ==> Installing gcc-runtime-13.3.0-3eqru2mivrnphgr7msxclitni6o5gd6w /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /aw56uox46xouqdgb5whbb6z7kjn6neox # py-pip@25.1.1 build_system=generic platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/96/9602881470098b35caea6a14a8230e597f8a28eb159b2c24f2c0643a54e19c2e ==> Extracting py-pip-25.1.1-aw56uox46xouqdgb5whbb6z7kjn6neox from binary cache ==> py-pip: Successfully installed py-pip-25.1.1-aw56uox46xouqdgb5whbb6z7kjn6neox Search: 0.00s. Fetch: 0.76s. Install: 0.34s. Extract: 0.33s. Relocate: 0.00s. Total: 1.10s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-pip-25.1.1-aw56uox46xouqdgb5whbb6z7kjn6neox ==> Installing py-pip-25.1.1-aw56uox46xouqdgb5whbb6z7kjn6neox /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /t5kb3tbgjzlalelbvuzfv3brzsglw3ra # zlib-ng@2.2.4+compat~ipo+new_strategies+opt+pic+shared build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/73/73495484f934fcac14605de1a4d796d6d9219051fb963b3bd52835133b44e9ce ==> Extracting zlib-ng-2.2.4-t5kb3tbgjzlalelbvuzfv3brzsglw3ra from binary cache ==> zlib-ng: Successfully installed zlib-ng-2.2.4-t5kb3tbgjzlalelbvuzfv3brzsglw3ra Search: 0.00s. Fetch: 0.71s. Install: 0.02s. Extract: 0.01s. Relocate: 0.01s. Total: 0.74s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/zlib-ng-2.2.4-t5kb3tbgjzlalelbvuzfv3brzsglw3ra ==> Installing zlib-ng-2.2.4-t5kb3tbgjzlalelbvuzfv3brzsglw3ra ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /vucpylyn7l422wuxg5zi5sgvwfasl2js # fxdiv@2020-04-17~ipo build_system=cmake build_type=Release commit=b408327ac2a15ec3e43352421954f5b1967701d1 generator=ninja platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/18/1864e4b13ab512a1828f6265a0350ed244e46402377e4753f5722f41fa49a873 ==> Extracting fxdiv-2020-04-17-vucpylyn7l422wuxg5zi5sgvwfasl2js from binary cache ==> fxdiv: Successfully installed fxdiv-2020-04-17-vucpylyn7l422wuxg5zi5sgvwfasl2js Search: 0.00s. Fetch: 0.71s. Install: 0.02s. Extract: 0.00s. Relocate: 0.01s. Total: 0.73s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/fxdiv-2020-04-17-vucpylyn7l422wuxg5zi5sgvwfasl2js ==> Installing fxdiv-2020-04-17-vucpylyn7l422wuxg5zi5sgvwfasl2js ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /sxtfsampb5c7wuvnnod3itexgcocs4kz # libxsmm@1.17-cp2k~debug~generator~header-only~large_jit_buffer~shared blas=default build_system=makefile commit=e0c4a2389afba36c453233ad7de07bd92c715bec wrap=0 platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/a6/a6f791be810170cb57651c35ebc376e5458909a36a8c9078e0ac4fd50625c2f1 ==> Extracting libxsmm-1.17-cp2k-sxtfsampb5c7wuvnnod3itexgcocs4kz from binary cache ==> libxsmm: Successfully installed libxsmm-1.17-cp2k-sxtfsampb5c7wuvnnod3itexgcocs4kz Search: 0.00s. Fetch: 0.86s. Install: 0.73s. Extract: 0.10s. Relocate: 0.62s. Total: 1.59s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/libxsmm-1.17-cp2k-sxtfsampb5c7wuvnnod3itexgcocs4kz ==> Installing libxsmm-1.17-cp2k-sxtfsampb5c7wuvnnod3itexgcocs4kz ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /mj7hihnxsrllnsmgutiaabwme6hfncvt # zfp@0.5.5~aligned~c~cuda~fasthash~fortran~ipo+openmp~profile~python+shared~strided~twoway+utilities bsws=64 build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/7b/7bd69221942596c447debca94863f991b6c75eb09c007d9756ffd34d2c80d6a1 ==> Extracting zfp-0.5.5-mj7hihnxsrllnsmgutiaabwme6hfncvt from binary cache ==> zfp: Successfully installed zfp-0.5.5-mj7hihnxsrllnsmgutiaabwme6hfncvt Search: 0.00s. Fetch: 0.69s. Install: 0.45s. Extract: 0.02s. Relocate: 0.01s. Total: 1.14s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/zfp-0.5.5-mj7hihnxsrllnsmgutiaabwme6hfncvt ==> Installing zfp-0.5.5-mj7hihnxsrllnsmgutiaabwme6hfncvt /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /ep7xmmytsumlhgqsxw3nbbpcqdxfm6ua # yaml-cpp@0.8.0~ipo+pic+shared~tests build_system=cmake build_type=Release generator=make patches:=0bb42be platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/46/46668a87e35b949459f46647f180ebf257996a34bbd3886a6cf840392fef01ce ==> Extracting yaml-cpp-0.8.0-ep7xmmytsumlhgqsxw3nbbpcqdxfm6ua from binary cache ==> yaml-cpp: Successfully installed yaml-cpp-0.8.0-ep7xmmytsumlhgqsxw3nbbpcqdxfm6ua Search: 0.00s. Fetch: 0.68s. Install: 1.05s. Extract: 0.02s. Relocate: 0.01s. Total: 1.73s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/yaml-cpp-0.8.0-ep7xmmytsumlhgqsxw3nbbpcqdxfm6ua ==> Installing yaml-cpp-0.8.0-ep7xmmytsumlhgqsxw3nbbpcqdxfm6ua /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /iqqaj3a3bb5duu5hl6r2ujhfiiptpafn # ncurses@6.5-20250705~symlinks+termlib abi=none build_system=autotools patches:=7a351bc platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/12/1285bd1e7d0e440f7714c40fc82dde525224798261e9174707c114c25d3e6464 ==> Extracting ncurses-6.5-20250705-iqqaj3a3bb5duu5hl6r2ujhfiiptpafn from binary cache ==> ncurses: Successfully installed ncurses-6.5-20250705-iqqaj3a3bb5duu5hl6r2ujhfiiptpafn Search: 0.00s. Fetch: 0.76s. Install: 0.68s. Extract: 0.66s. Relocate: 0.01s. Total: 1.44s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/ncurses-6.5-20250705-iqqaj3a3bb5duu5hl6r2ujhfiiptpafn ==> Installing ncurses-6.5-20250705-iqqaj3a3bb5duu5hl6r2ujhfiiptpafn /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /u2e26u3siuptc6f2l4wrt4g7sj6rrdpb # libsigsegv@2.14 build_system=autotools platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/e1/e10f637721404eb56fba783744d096399cb47e4c90f766b11702903690bf1197 ==> Extracting libsigsegv-2.14-u2e26u3siuptc6f2l4wrt4g7sj6rrdpb from binary cache ==> libsigsegv: Successfully installed libsigsegv-2.14-u2e26u3siuptc6f2l4wrt4g7sj6rrdpb Search: 0.00s. Fetch: 0.75s. Install: 0.13s. Extract: 0.01s. Relocate: 0.01s. Total: 0.88s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/libsigsegv-2.14-u2e26u3siuptc6f2l4wrt4g7sj6rrdpb ==> Installing libsigsegv-2.14-u2e26u3siuptc6f2l4wrt4g7sj6rrdpb ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /pfqt3ozha3eb2dahpcgaxkpbs7fry3xc # libiconv@1.18 build_system=autotools libs:=shared,static platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/25/253d7eaaab931c157603c3a1365b1368ae10eb6b2bc8e65b051b9fbdd55cced0 ==> Extracting libiconv-1.18-pfqt3ozha3eb2dahpcgaxkpbs7fry3xc from binary cache ==> libiconv: Successfully installed libiconv-1.18-pfqt3ozha3eb2dahpcgaxkpbs7fry3xc Search: 0.00s. Fetch: 0.85s. Install: 0.19s. Extract: 0.07s. Relocate: 0.01s. Total: 1.04s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/libiconv-1.18-pfqt3ozha3eb2dahpcgaxkpbs7fry3xc ==> Installing libiconv-1.18-pfqt3ozha3eb2dahpcgaxkpbs7fry3xc ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /nksvnolvg5scngy6pggji6zqpxhjtq4e # blt@0.7.1 build_system=generic platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/59/591c2143b13ad3ad49bbf61c2f0d7392a7590afdf24522dba71c187019ca4618 ==> Extracting blt-0.7.1-nksvnolvg5scngy6pggji6zqpxhjtq4e from binary cache ==> blt: Successfully installed blt-0.7.1-nksvnolvg5scngy6pggji6zqpxhjtq4e Search: 0.00s. Fetch: 0.81s. Install: 0.61s. Extract: 0.18s. Relocate: 0.41s. Total: 1.42s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/blt-0.7.1-nksvnolvg5scngy6pggji6zqpxhjtq4e ==> Installing blt-0.7.1-nksvnolvg5scngy6pggji6zqpxhjtq4e /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /dyt5dme672xvazlmbdgsz4to5nzpgv6j # spglib@2.5.0+fortran~ipo+openmp~tests build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/b3/b3c71740f600237e1d491d070233a507bf764a84ace1e319c398d3b523fe21c1 ==> Extracting spglib-2.5.0-dyt5dme672xvazlmbdgsz4to5nzpgv6j from binary cache ==> spglib: Successfully installed spglib-2.5.0-dyt5dme672xvazlmbdgsz4to5nzpgv6j Search: 0.00s. Fetch: 0.64s. Install: 0.05s. Extract: 0.02s. Relocate: 0.02s. Total: 0.70s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/spglib-2.5.0-dyt5dme672xvazlmbdgsz4to5nzpgv6j ==> Installing spglib-2.5.0-dyt5dme672xvazlmbdgsz4to5nzpgv6j /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /4pqao73i547wcs4zzschdu2sehae3id6 # metis@5.1.0~gdb~int64~ipo~no_warning~real64+shared build_system=cmake build_type=Release generator=make patches:=4991da9,93a7903,b1225da platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/b9/b9de1081507d3e623fa3f7b2a4f77b3d20383d3567daf7fd517306582c7663a2 ==> Extracting metis-5.1.0-4pqao73i547wcs4zzschdu2sehae3id6 from binary cache ==> metis: Successfully installed metis-5.1.0-4pqao73i547wcs4zzschdu2sehae3id6 Search: 0.00s. Fetch: 0.76s. Install: 0.25s. Extract: 0.03s. Relocate: 0.01s. Total: 1.01s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/metis-5.1.0-4pqao73i547wcs4zzschdu2sehae3id6 ==> Installing metis-5.1.0-4pqao73i547wcs4zzschdu2sehae3id6 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /abnwvwh7xoiufz63ctsrnjjepy2rofer # libffi@3.5.2 build_system=autotools platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/16/168dfed3fe778a7b6ff33f60a2e83831794680e127f3e5426ae7ef2083cce8df ==> Extracting libffi-3.5.2-abnwvwh7xoiufz63ctsrnjjepy2rofer from binary cache ==> libffi: Successfully installed libffi-3.5.2-abnwvwh7xoiufz63ctsrnjjepy2rofer Search: 0.00s. Fetch: 0.70s. Install: 0.04s. Extract: 0.02s. Relocate: 0.01s. Total: 0.74s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/libffi-3.5.2-abnwvwh7xoiufz63ctsrnjjepy2rofer ==> Installing libffi-3.5.2-abnwvwh7xoiufz63ctsrnjjepy2rofer ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /77py3swvqpbtpworhthafdhxey7tbcsl # pugixml@1.14~ipo+pic+shared build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/a4/a4100872b24e57a81e0767ead37bf3d66666aaa00e25ba8d248d3c68d7ce5bc8 ==> Extracting pugixml-1.14-77py3swvqpbtpworhthafdhxey7tbcsl from binary cache ==> pugixml: Successfully installed pugixml-1.14-77py3swvqpbtpworhthafdhxey7tbcsl Search: 0.00s. Fetch: 0.59s. Install: 0.03s. Extract: 0.01s. Relocate: 0.02s. Total: 0.62s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/pugixml-1.14-77py3swvqpbtpworhthafdhxey7tbcsl ==> Installing pugixml-1.14-77py3swvqpbtpworhthafdhxey7tbcsl ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /pdejyj2q3ve2lepxqpaborpkvry7vom7 # lizard@2.1 build_system=makefile platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/20/20949b6e4fac97ccb4a1e5f09f00345b84d3bfe377721d6de4182a275a3d8191 ==> Extracting lizard-2.1-pdejyj2q3ve2lepxqpaborpkvry7vom7 from binary cache ==> lizard: Successfully installed lizard-2.1-pdejyj2q3ve2lepxqpaborpkvry7vom7 Search: 0.00s. Fetch: 0.75s. Install: 0.45s. Extract: 0.02s. Relocate: 0.01s. Total: 1.19s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/lizard-2.1-pdejyj2q3ve2lepxqpaborpkvry7vom7 ==> Installing lizard-2.1-pdejyj2q3ve2lepxqpaborpkvry7vom7 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /5yv665dla55h3zdbg76ikainapjpub7b # cpuinfo@2025-03-21~ipo build_system=cmake build_type=Release commit=5e3d2445e6a84d9599bee2bf78edbb4d80865e1d generator=ninja platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/67/677fbbca04cee373b4e05e0722f8f4792bcc51f20d5f06a53aad528b11aca2fe ==> Extracting cpuinfo-2025-03-21-5yv665dla55h3zdbg76ikainapjpub7b from binary cache ==> cpuinfo: Successfully installed cpuinfo-2025-03-21-5yv665dla55h3zdbg76ikainapjpub7b Search: 0.00s. Fetch: 0.76s. Install: 0.34s. Extract: 0.01s. Relocate: 0.01s. Total: 1.10s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/cpuinfo-2025-03-21-5yv665dla55h3zdbg76ikainapjpub7b ==> Installing cpuinfo-2025-03-21-5yv665dla55h3zdbg76ikainapjpub7b /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /uytsplbncf4ujdfqmntlaus3uzqdodgs # psimd@2020-05-17~ipo build_system=cmake build_type=Release commit=072586a71b55b7f8c584153d223e95687148a900 generator=ninja platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/ed/ede79ed29e999049100e9602218dc6a26fc5c397181db7c1a748aa65b2a640a2 ==> Extracting psimd-2020-05-17-uytsplbncf4ujdfqmntlaus3uzqdodgs from binary cache ==> psimd: Successfully installed psimd-2020-05-17-uytsplbncf4ujdfqmntlaus3uzqdodgs Search: 0.00s. Fetch: 0.73s. Install: 0.02s. Extract: 0.01s. Relocate: 0.01s. Total: 0.76s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/psimd-2020-05-17-uytsplbncf4ujdfqmntlaus3uzqdodgs ==> Installing psimd-2020-05-17-uytsplbncf4ujdfqmntlaus3uzqdodgs /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /urpf3kovfd4jjz22ohdfmrjs2u3d74op # libvori@220621~ipo+pic build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/19/19a5911308be1ee16edcfbb4bd123d110313711af0fbc581227720c4fe6235a8 ==> Extracting libvori-220621-urpf3kovfd4jjz22ohdfmrjs2u3d74op from binary cache ==> libvori: Successfully installed libvori-220621-urpf3kovfd4jjz22ohdfmrjs2u3d74op Search: 0.00s. Fetch: 0.66s. Install: 0.03s. Extract: 0.02s. Relocate: 0.01s. Total: 0.69s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/libvori-220621-urpf3kovfd4jjz22ohdfmrjs2u3d74op ==> Installing libvori-220621-urpf3kovfd4jjz22ohdfmrjs2u3d74op ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /olyyn23bu2qdayzdpcvkzlllmp5hfdoc # openblas@0.3.30~bignuma~consistent_fpcsr+dynamic_dispatch+fortran~ilp64+locking+pic+shared build_system=makefile symbol_suffix=none threads=openmp platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/6f/6f72b4b2be50357bfa08ce73661cacee5a59610d18bfe81fd7d79bf44a37f375 ==> Extracting openblas-0.3.30-olyyn23bu2qdayzdpcvkzlllmp5hfdoc from binary cache ==> openblas: Successfully installed openblas-0.3.30-olyyn23bu2qdayzdpcvkzlllmp5hfdoc Search: 0.00s. Fetch: 1.05s. Install: 0.71s. Extract: 0.65s. Relocate: 0.05s. Total: 1.76s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/openblas-0.3.30-olyyn23bu2qdayzdpcvkzlllmp5hfdoc ==> Installing openblas-0.3.30-olyyn23bu2qdayzdpcvkzlllmp5hfdoc ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /fosbob4opzestlhia4umczff7wv7mwxb # fp16@2020-05-14~ipo build_system=cmake build_type=Release commit=4dfe081cf6bcd15db339cf2680b9281b8451eeb3 generator=ninja platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/c0/c096060ffedb9b3793838c3a118951397b0a097550cae0089ce4c41edfe969de ==> Extracting fp16-2020-05-14-fosbob4opzestlhia4umczff7wv7mwxb from binary cache ==> fp16: Successfully installed fp16-2020-05-14-fosbob4opzestlhia4umczff7wv7mwxb Search: 0.00s. Fetch: 0.73s. Install: 0.33s. Extract: 0.01s. Relocate: 0.01s. Total: 1.07s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/fp16-2020-05-14-fosbob4opzestlhia4umczff7wv7mwxb ==> Installing fp16-2020-05-14-fosbob4opzestlhia4umczff7wv7mwxb /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /sewp6euouqc4naxzxwjrzlk5pqe5bwah # py-setuptools@79.0.1 build_system=generic platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/1c/1c14b51857838e30c6232b129b461ef0cfa034197107eb7e0f86deec6acdb269 ==> Extracting py-setuptools-79.0.1-sewp6euouqc4naxzxwjrzlk5pqe5bwah from binary cache ==> py-setuptools: Successfully installed py-setuptools-79.0.1-sewp6euouqc4naxzxwjrzlk5pqe5bwah Search: 0.00s. Fetch: 0.76s. Install: 0.25s. Extract: 0.23s. Relocate: 0.01s. Total: 1.01s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-setuptools-79.0.1-sewp6euouqc4naxzxwjrzlk5pqe5bwah ==> Installing py-setuptools-79.0.1-sewp6euouqc4naxzxwjrzlk5pqe5bwah /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /okjrsaipwvkxvhcakbomxj4vcdpxpipt # toml11@4.3.0~ipo build_system=cmake build_type=Release cxx_std=17 generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/18/185c985d137b6132469a29327b4f78c95f558e81b887412745fd9df44c224717 ==> Extracting toml11-4.3.0-okjrsaipwvkxvhcakbomxj4vcdpxpipt from binary cache ==> toml11: Successfully installed toml11-4.3.0-okjrsaipwvkxvhcakbomxj4vcdpxpipt Search: 0.00s. Fetch: 0.64s. Install: 0.15s. Extract: 0.02s. Relocate: 0.01s. Total: 0.79s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/toml11-4.3.0-okjrsaipwvkxvhcakbomxj4vcdpxpipt ==> Installing toml11-4.3.0-okjrsaipwvkxvhcakbomxj4vcdpxpipt /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /pskeg63hmvny6enypsid2c2buzk2qffg # cnpy@master~ipo build_system=cmake build_type=Release commit=4e8810b1a8637695171ed346ce68f6984e585ef4 generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/39/3924b431a6ee59f191924aaf8d8a6ca0880b896f50f144552638d7c8bf9d2ef5 ==> Extracting cnpy-master-pskeg63hmvny6enypsid2c2buzk2qffg from binary cache ==> cnpy: Successfully installed cnpy-master-pskeg63hmvny6enypsid2c2buzk2qffg Search: 0.00s. Fetch: 0.58s. Install: 0.02s. Extract: 0.01s. Relocate: 0.00s. Total: 0.61s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/cnpy-master-pskeg63hmvny6enypsid2c2buzk2qffg ==> Installing cnpy-master-pskeg63hmvny6enypsid2c2buzk2qffg /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /j32nh7qi3dsznnqv6lqnmcukcu4oc2fz # libpng@1.6.47~ipo+pic build_system=cmake build_type=Release generator=make libs:=shared,static platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/2b/2bae75189e73c774c5355d93323e6eb2e3d508a704c949b58f5de941139b6ebb ==> Extracting libpng-1.6.47-j32nh7qi3dsznnqv6lqnmcukcu4oc2fz from binary cache ==> libpng: Successfully installed libpng-1.6.47-j32nh7qi3dsznnqv6lqnmcukcu4oc2fz Search: 0.00s. Fetch: 0.59s. Install: 0.45s. Extract: 0.02s. Relocate: 0.01s. Total: 1.04s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/libpng-1.6.47-j32nh7qi3dsznnqv6lqnmcukcu4oc2fz ==> Installing libpng-1.6.47-j32nh7qi3dsznnqv6lqnmcukcu4oc2fz /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /5fzauuquko3k4q5cvcrgqthxub7zof6d # bzip2@1.0.8~debug+pic+shared build_system=generic platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/5b/5b0b4bcbd0e87ea8188cd862c3da05bc68b1e8ace572a01e25aa7fecfd6c0144 ==> Extracting bzip2-1.0.8-5fzauuquko3k4q5cvcrgqthxub7zof6d from binary cache ==> bzip2: Successfully installed bzip2-1.0.8-5fzauuquko3k4q5cvcrgqthxub7zof6d Search: 0.00s. Fetch: 0.75s. Install: 0.03s. Extract: 0.02s. Relocate: 0.01s. Total: 0.79s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/bzip2-1.0.8-5fzauuquko3k4q5cvcrgqthxub7zof6d ==> Installing bzip2-1.0.8-5fzauuquko3k4q5cvcrgqthxub7zof6d ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /a73vheia6tejbww5bi6dpkuez5lx7tzu # blaspp@2025.05.28~cuda~ipo+openmp~rocm+shared~sycl build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/bd/bd27e8834d7dc748472cedbb064c7f380aef7ea467dd48683d8eccf2ac674cb8 ==> Extracting blaspp-2025.05.28-a73vheia6tejbww5bi6dpkuez5lx7tzu from binary cache ==> blaspp: Successfully installed blaspp-2025.05.28-a73vheia6tejbww5bi6dpkuez5lx7tzu Search: 0.00s. Fetch: 0.62s. Install: 0.15s. Extract: 0.02s. Relocate: 0.01s. Total: 0.77s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/blaspp-2025.05.28-a73vheia6tejbww5bi6dpkuez5lx7tzu ==> Installing blaspp-2025.05.28-a73vheia6tejbww5bi6dpkuez5lx7tzu /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /ysrcuwsfloryco6vg7hhitwcrqr6wh4c # protobuf@3.13.0~ipo+shared build_system=cmake build_type=Release generator=make patches:=9b6dcfa platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/64/642d11c6f6a66aa2ab159cca5f9ebe6b58327605de701d193bce732e65381d8d ==> Extracting protobuf-3.13.0-ysrcuwsfloryco6vg7hhitwcrqr6wh4c from binary cache ==> protobuf: Successfully installed protobuf-3.13.0-ysrcuwsfloryco6vg7hhitwcrqr6wh4c Search: 0.00s. Fetch: 0.71s. Install: 0.13s. Extract: 0.09s. Relocate: 0.03s. Total: 0.84s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/protobuf-3.13.0-ysrcuwsfloryco6vg7hhitwcrqr6wh4c ==> Installing protobuf-3.13.0-ysrcuwsfloryco6vg7hhitwcrqr6wh4c /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /bcsyy6eib57jxxeaxfuzagltpaitgytj # toml-f@0.4.2~ipo build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/0a/0a71b220ed4a88fcf91ac43db79d8d11dafc507a43c4f9be84a3785c8bfb08c4 ==> Extracting toml-f-0.4.2-bcsyy6eib57jxxeaxfuzagltpaitgytj from binary cache ==> toml-f: Successfully installed toml-f-0.4.2-bcsyy6eib57jxxeaxfuzagltpaitgytj Search: 0.00s. Fetch: 0.74s. Install: 0.25s. Extract: 0.03s. Relocate: 0.01s. Total: 0.99s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/toml-f-0.4.2-bcsyy6eib57jxxeaxfuzagltpaitgytj ==> Installing toml-f-0.4.2-bcsyy6eib57jxxeaxfuzagltpaitgytj /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /dly7ktw5k724jrvri5kss2zoay6jdnlt # libfabric@1.22.0~cuda~debug~kdreg~level_zero~rocm~uring build_system=autotools fabrics:=sockets,tcp,udp platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/18/1864d20624be7f6fda85c891fca5c96f03c90ef072640a42404a3321d90319d9 ==> Extracting libfabric-1.22.0-dly7ktw5k724jrvri5kss2zoay6jdnlt from binary cache ==> libfabric: Successfully installed libfabric-1.22.0-dly7ktw5k724jrvri5kss2zoay6jdnlt Search: 0.00s. Fetch: 0.71s. Install: 0.60s. Extract: 0.07s. Relocate: 0.01s. Total: 1.31s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/libfabric-1.22.0-dly7ktw5k724jrvri5kss2zoay6jdnlt ==> Installing libfabric-1.22.0-dly7ktw5k724jrvri5kss2zoay6jdnlt ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /2quohxfyz7t34y2ahbzk4eg4klmwvx5g # readline@8.3 build_system=autotools patches:=21f0a03 platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/08/0827b064dfd7292b6fecd092f8c8277672e5724424648ad8794953b3e14713f0 ==> Extracting readline-8.3-2quohxfyz7t34y2ahbzk4eg4klmwvx5g from binary cache ==> readline: Successfully installed readline-8.3-2quohxfyz7t34y2ahbzk4eg4klmwvx5g Search: 0.00s. Fetch: 0.64s. Install: 0.07s. Extract: 0.04s. Relocate: 0.01s. Total: 0.71s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/readline-8.3-2quohxfyz7t34y2ahbzk4eg4klmwvx5g ==> Installing readline-8.3-2quohxfyz7t34y2ahbzk4eg4klmwvx5g /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /zgqfmutk7ahwyengxhgyniz6mllesxkq # mimalloc@3.1.5~build_tests~debug_full~ipo~local_dynamic_tls+override+padding~secure~see_asm~show_errors~skip_collect_on_exit~use_cxx~xmalloc build_system=cmake build_type=Release generator=make libs:=object,shared,static platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/a4/a47124918b8115f8f7c970f2016fe9de2de41ce59b6238478b0dde1be69e2955 ==> Extracting mimalloc-3.1.5-zgqfmutk7ahwyengxhgyniz6mllesxkq from binary cache ==> mimalloc: Successfully installed mimalloc-3.1.5-zgqfmutk7ahwyengxhgyniz6mllesxkq Search: 0.00s. Fetch: 0.75s. Install: 0.04s. Extract: 0.02s. Relocate: 0.01s. Total: 0.79s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/mimalloc-3.1.5-zgqfmutk7ahwyengxhgyniz6mllesxkq ==> Installing mimalloc-3.1.5-zgqfmutk7ahwyengxhgyniz6mllesxkq /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /nfcks45ktei2lgs2ghjavzcyc6vegjoj # nlohmann-json@3.12.0~ipo+multiple_headers build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/cb/cb9a6ae8449bb6fe56c51ae6f57ad5362b1e5bb6c805ac63b3e5327cd7893c18 ==> Extracting nlohmann-json-3.12.0-nfcks45ktei2lgs2ghjavzcyc6vegjoj from binary cache ==> nlohmann-json: Successfully installed nlohmann-json-3.12.0-nfcks45ktei2lgs2ghjavzcyc6vegjoj Search: 0.00s. Fetch: 0.59s. Install: 0.25s. Extract: 0.02s. Relocate: 0.01s. Total: 0.84s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/nlohmann-json-3.12.0-nfcks45ktei2lgs2ghjavzcyc6vegjoj ==> Installing nlohmann-json-3.12.0-nfcks45ktei2lgs2ghjavzcyc6vegjoj /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /amyt5kafmofymavwancwjy3r5rwan7dk # py-wheel@0.45.1 build_system=generic platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/46/461f9b9155c20b84b1ffb71afe41ade8b9fbc4f1996ae18891e27df4b9972509 ==> Extracting py-wheel-0.45.1-amyt5kafmofymavwancwjy3r5rwan7dk from binary cache ==> py-wheel: Successfully installed py-wheel-0.45.1-amyt5kafmofymavwancwjy3r5rwan7dk Search: 0.00s. Fetch: 0.67s. Install: 0.04s. Extract: 0.02s. Relocate: 0.01s. Total: 0.72s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-wheel-0.45.1-amyt5kafmofymavwancwjy3r5rwan7dk ==> Installing py-wheel-0.45.1-amyt5kafmofymavwancwjy3r5rwan7dk /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /hrah3k6r74tan25dkuk2xx6jjpw6zofk # gsl@2.8~external-cblas+pic+shared build_system=autotools platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/17/17380488ca4606e43d1652a0f1e50eb7ab3a760d05061d0835e23d69b07b0473 ==> Extracting gsl-2.8-hrah3k6r74tan25dkuk2xx6jjpw6zofk from binary cache ==> gsl: Successfully installed gsl-2.8-hrah3k6r74tan25dkuk2xx6jjpw6zofk Search: 0.00s. Fetch: 0.74s. Install: 0.30s. Extract: 0.26s. Relocate: 0.03s. Total: 1.04s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/gsl-2.8-hrah3k6r74tan25dkuk2xx6jjpw6zofk ==> Installing gsl-2.8-hrah3k6r74tan25dkuk2xx6jjpw6zofk /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /tuqbsie2k35pj55n74mtrfbfwtul3nrt # lzo@2.10 build_system=autotools libs:=shared,static platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/6c/6c801f295a763b5edc08afa4ea00b65d1721d453ff49ff8e5ab4361e8927dd5f ==> Extracting lzo-2.10-tuqbsie2k35pj55n74mtrfbfwtul3nrt from binary cache ==> lzo: Successfully installed lzo-2.10-tuqbsie2k35pj55n74mtrfbfwtul3nrt Search: 0.00s. Fetch: 0.71s. Install: 0.25s. Extract: 0.03s. Relocate: 0.11s. Total: 0.96s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/lzo-2.10-tuqbsie2k35pj55n74mtrfbfwtul3nrt ==> Installing lzo-2.10-tuqbsie2k35pj55n74mtrfbfwtul3nrt /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /uai4vkec3zgbbsi6clhjxfiomnt4o77h # camp@2025.03.0~cuda~ipo~omptarget+openmp~rocm~sycl~tests build_system=cmake build_type=Release commit=ee0a3069a7ae72da8bcea63c06260fad34901d43 generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/41/4132b2e5f03aa1f4cffc9079ea31b8f2cd98760a9a39b024e293b11761f67689 ==> Extracting camp-2025.03.0-uai4vkec3zgbbsi6clhjxfiomnt4o77h from binary cache ==> camp: Successfully installed camp-2025.03.0-uai4vkec3zgbbsi6clhjxfiomnt4o77h Search: 0.00s. Fetch: 0.59s. Install: 0.03s. Extract: 0.02s. Relocate: 0.01s. Total: 0.63s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/camp-2025.03.0-uai4vkec3zgbbsi6clhjxfiomnt4o77h ==> Installing camp-2025.03.0-uai4vkec3zgbbsi6clhjxfiomnt4o77h ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /utl4pifmspgjmyidamhpaer4k2ywry7m # lapackpp@2025.05.28~cuda~ipo~rocm+shared~sycl build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/3d/3dd8f2879bb290e6b8f1229b3fb5138e203e83741896e762816fefd47a6c02f1 ==> Extracting lapackpp-2025.05.28-utl4pifmspgjmyidamhpaer4k2ywry7m from binary cache ==> lapackpp: Successfully installed lapackpp-2025.05.28-utl4pifmspgjmyidamhpaer4k2ywry7m Search: 0.00s. Fetch: 0.62s. Install: 0.11s. Extract: 0.02s. Relocate: 0.07s. Total: 0.73s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/lapackpp-2025.05.28-utl4pifmspgjmyidamhpaer4k2ywry7m ==> Installing lapackpp-2025.05.28-utl4pifmspgjmyidamhpaer4k2ywry7m /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /7rfw5cckxds6qfkre5jf4yuh3echfbfj # m4@1.4.20+sigsegv build_system=autotools platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/ec/ec917b251c5e5f61ce5e1f459cf5527f6c81c4dee4e119f73e59cd735e8fefd9 ==> Extracting m4-1.4.20-7rfw5cckxds6qfkre5jf4yuh3echfbfj from binary cache ==> m4: Successfully installed m4-1.4.20-7rfw5cckxds6qfkre5jf4yuh3echfbfj Search: 0.00s. Fetch: 0.69s. Install: 0.05s. Extract: 0.03s. Relocate: 0.01s. Total: 0.75s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/m4-1.4.20-7rfw5cckxds6qfkre5jf4yuh3echfbfj ==> Installing m4-1.4.20-7rfw5cckxds6qfkre5jf4yuh3echfbfj /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /bysqf6bpwv3oaspkef4lkyvdsroebe3j # sleef@3.8~ipo build_system=cmake build_type=Release generator=ninja platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/3d/3d810133f0dd4e4512c3f76186a0cdd6ac0cd22201d15c75e08aa489eaf6f096 ==> Extracting sleef-3.8-bysqf6bpwv3oaspkef4lkyvdsroebe3j from binary cache ==> sleef: Successfully installed sleef-3.8-bysqf6bpwv3oaspkef4lkyvdsroebe3j Search: 0.00s. Fetch: 0.76s. Install: 0.58s. Extract: 0.05s. Relocate: 0.11s. Total: 1.34s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/sleef-3.8-bysqf6bpwv3oaspkef4lkyvdsroebe3j ==> Installing sleef-3.8-bysqf6bpwv3oaspkef4lkyvdsroebe3j /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /pbemwvcf5zx3h6emsennko46k7fgetsx # snappy@1.2.1~ipo+pic+shared build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/1c/1cfd06d19519449ca4eba1b7b935d992e2c8f9156ca4941295056c1f92eee13a ==> Extracting snappy-1.2.1-pbemwvcf5zx3h6emsennko46k7fgetsx from binary cache ==> snappy: Successfully installed snappy-1.2.1-pbemwvcf5zx3h6emsennko46k7fgetsx Search: 0.00s. Fetch: 0.71s. Install: 0.33s. Extract: 0.01s. Relocate: 0.01s. Total: 1.04s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/snappy-1.2.1-pbemwvcf5zx3h6emsennko46k7fgetsx ==> Installing snappy-1.2.1-pbemwvcf5zx3h6emsennko46k7fgetsx /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /k6dd3lmxryyoczsixqzth5hyii3x56jj # fmt@11.0.2~ipo+pic~shared build_system=cmake build_type=Release cxxstd=17 generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/1e/1e25249516dcfcb75af728f9d1b1ca6767c634be161ca4fca2bc9c6cb950734d ==> Extracting fmt-11.0.2-k6dd3lmxryyoczsixqzth5hyii3x56jj from binary cache ==> fmt: Successfully installed fmt-11.0.2-k6dd3lmxryyoczsixqzth5hyii3x56jj Search: 0.00s. Fetch: 0.72s. Install: 0.25s. Extract: 0.02s. Relocate: 0.01s. Total: 0.97s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/fmt-11.0.2-k6dd3lmxryyoczsixqzth5hyii3x56jj ==> Installing fmt-11.0.2-k6dd3lmxryyoczsixqzth5hyii3x56jj /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /akh3rkxffakuf7kbkutc2ol7renhe2ie # xz@5.6.3+pic build_system=autotools libs:=shared,static platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/a6/a6bda847cfd8a77d3b00bd9bfba6a4a147817489ed8fad7a10a300cef2dc0af1 ==> Extracting xz-5.6.3-akh3rkxffakuf7kbkutc2ol7renhe2ie from binary cache ==> xz: Successfully installed xz-5.6.3-akh3rkxffakuf7kbkutc2ol7renhe2ie Search: 0.00s. Fetch: 0.86s. Install: 0.63s. Extract: 0.10s. Relocate: 0.21s. Total: 1.49s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/xz-5.6.3-akh3rkxffakuf7kbkutc2ol7renhe2ie ==> Installing xz-5.6.3-akh3rkxffakuf7kbkutc2ol7renhe2ie ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /eam755qzusqzy3sxxybadjk5s7s76cc4 # py-fypp@3.1 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/34/345efd2f4f31a039074a81d0e97befb4a043a086908abbd4715b7e6a6bcfbf8e ==> Extracting py-fypp-3.1-eam755qzusqzy3sxxybadjk5s7s76cc4 from binary cache ==> py-fypp: Successfully installed py-fypp-3.1-eam755qzusqzy3sxxybadjk5s7s76cc4 Search: 0.00s. Fetch: 0.73s. Install: 0.25s. Extract: 0.01s. Relocate: 0.01s. Total: 0.98s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-fypp-3.1-eam755qzusqzy3sxxybadjk5s7s76cc4 ==> Installing py-fypp-3.1-eam755qzusqzy3sxxybadjk5s7s76cc4 ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /pxehn7pheilxwa5rzb3bb5yg3fmlzshm # autoconf@2.72 build_system=autotools platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/cf/cfab975e76765b1c654400525268ececf9640270df418e55a2579ccb244a01a3 ==> Extracting autoconf-2.72-pxehn7pheilxwa5rzb3bb5yg3fmlzshm from binary cache ==> autoconf: Successfully installed autoconf-2.72-pxehn7pheilxwa5rzb3bb5yg3fmlzshm Search: 0.00s. Fetch: 0.65s. Install: 0.07s. Extract: 0.04s. Relocate: 0.02s. Total: 0.73s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/autoconf-2.72-pxehn7pheilxwa5rzb3bb5yg3fmlzshm ==> Installing autoconf-2.72-pxehn7pheilxwa5rzb3bb5yg3fmlzshm /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /gbfjbknihcdhzkky22je7uvmfgtdwwga # py-charset-normalizer@3.4.4 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/33/331278b142f9f7585a60ac37ec5969c26b3df71246fe7db0472b264adf2e382f ==> Extracting py-charset-normalizer-3.4.4-gbfjbknihcdhzkky22je7uvmfgtdwwga from binary cache ==> py-charset-normalizer: Successfully installed py-charset-normalizer-3.4.4-gbfjbknihcdhzkky22je7uvmfgtdwwga Search: 0.00s. Fetch: 0.66s. Install: 0.14s. Extract: 0.02s. Relocate: 0.11s. Total: 0.80s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-charset-normalizer-3.4.4-gbfjbknihcdhzkky22je7uvmfgtdwwga ==> Installing py-charset-normalizer-3.4.4-gbfjbknihcdhzkky22je7uvmfgtdwwga /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /bba3gtcu25hpnwrccmjbtbwymbe3rfh2 # py-cython@3.0.12 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/89/89f6c70dfd76959b457847e2bb4c0f8a9087d6f6a1d5b0fb1822554bd83cf2ac ==> Extracting py-cython-3.0.12-bba3gtcu25hpnwrccmjbtbwymbe3rfh2 from binary cache ==> py-cython: Successfully installed py-cython-3.0.12-bba3gtcu25hpnwrccmjbtbwymbe3rfh2 Search: 0.00s. Fetch: 0.84s. Install: 0.37s. Extract: 0.34s. Relocate: 0.02s. Total: 1.22s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-cython-3.0.12-bba3gtcu25hpnwrccmjbtbwymbe3rfh2 ==> Installing py-cython-3.0.12-bba3gtcu25hpnwrccmjbtbwymbe3rfh2 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /7uo5xurjhtpncslvqqfg75a6xx7ja6en # py-calver@2025.4.17 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/a4/a49f7bbef759c11b706ceffca5d9b710ff09d67ba3e0f0efdc4928fc480bb846 ==> Extracting py-calver-2025.4.17-7uo5xurjhtpncslvqqfg75a6xx7ja6en from binary cache ==> py-calver: Successfully installed py-calver-2025.4.17-7uo5xurjhtpncslvqqfg75a6xx7ja6en Search: 0.00s. Fetch: 0.60s. Install: 0.24s. Extract: 0.01s. Relocate: 0.00s. Total: 0.84s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-calver-2025.4.17-7uo5xurjhtpncslvqqfg75a6xx7ja6en ==> Installing py-calver-2025.4.17-7uo5xurjhtpncslvqqfg75a6xx7ja6en /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /x2siy3ow7gkdolq262dasnwxtmppza5c # eigen@5.0.0~ipo~nightly~rocm build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/4b/4bb62ec59d964b2a3fa51c02dd37a2f2c8f06b003060879fa60ee253989b6d9c ==> Extracting eigen-5.0.0-x2siy3ow7gkdolq262dasnwxtmppza5c from binary cache ==> eigen: Successfully installed eigen-5.0.0-x2siy3ow7gkdolq262dasnwxtmppza5c Search: 0.00s. Fetch: 0.74s. Install: 0.94s. Extract: 0.31s. Relocate: 0.12s. Total: 1.69s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/eigen-5.0.0-x2siy3ow7gkdolq262dasnwxtmppza5c ==> Installing eigen-5.0.0-x2siy3ow7gkdolq262dasnwxtmppza5c /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /x2hhsaht52q4uoocw7ioevvi2pw35n4u # py-certifi@2025.7.14 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/3c/3c5997c46986f82dbe72d3c1a85d0f979613454dd7e6e3812e305c0031a9bbf3 ==> Extracting py-certifi-2025.7.14-x2hhsaht52q4uoocw7ioevvi2pw35n4u from binary cache ==> py-certifi: Successfully installed py-certifi-2025.7.14-x2hhsaht52q4uoocw7ioevvi2pw35n4u Search: 0.00s. Fetch: 0.68s. Install: 0.04s. Extract: 0.01s. Relocate: 0.01s. Total: 0.72s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-certifi-2025.7.14-x2hhsaht52q4uoocw7ioevvi2pw35n4u ==> Installing py-certifi-2025.7.14-x2hhsaht52q4uoocw7ioevvi2pw35n4u /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /be7ggjqomv2fiy2nqy7avqpqxzjn5hga # meson@1.8.5 build_system=python_pip patches:=0f0b1bd platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/43/43fa7c7318745f1a58a38e5e4783fdbddd8f15bc0e658a4fecf8523c32f6a71e ==> Extracting meson-1.8.5-be7ggjqomv2fiy2nqy7avqpqxzjn5hga from binary cache ==> meson: Successfully installed meson-1.8.5-be7ggjqomv2fiy2nqy7avqpqxzjn5hga Search: 0.00s. Fetch: 0.69s. Install: 0.28s. Extract: 0.14s. Relocate: 0.13s. Total: 0.97s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/meson-1.8.5-be7ggjqomv2fiy2nqy7avqpqxzjn5hga ==> Installing meson-1.8.5-be7ggjqomv2fiy2nqy7avqpqxzjn5hga /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /7qf2ddaly6wnkynz33p34kpasimwcu72 # py-mpmath@1.3.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/ec/ec44bfcb9ddd7885830cd636ca845f7f321c47c1e849881de2cbf3ad8e51c6b3 ==> Extracting py-mpmath-1.3.0-7qf2ddaly6wnkynz33p34kpasimwcu72 from binary cache ==> py-mpmath: Successfully installed py-mpmath-1.3.0-7qf2ddaly6wnkynz33p34kpasimwcu72 Search: 0.00s. Fetch: 0.67s. Install: 0.70s. Extract: 0.06s. Relocate: 0.02s. Total: 1.38s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-mpmath-1.3.0-7qf2ddaly6wnkynz33p34kpasimwcu72 ==> Installing py-mpmath-1.3.0-7qf2ddaly6wnkynz33p34kpasimwcu72 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /6d4oepoeggmroxyunxvy5rfkx3g6k4kd # automake@1.16.5 build_system=autotools platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/f2/f2ee6803ac2998196162839ca28f59794cfd51c7fd97ff4cb33a66f268a097c3 ==> Extracting automake-1.16.5-6d4oepoeggmroxyunxvy5rfkx3g6k4kd from binary cache ==> automake: Successfully installed automake-1.16.5-6d4oepoeggmroxyunxvy5rfkx3g6k4kd Search: 0.00s. Fetch: 0.60s. Install: 0.07s. Extract: 0.04s. Relocate: 0.02s. Total: 0.67s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/automake-1.16.5-6d4oepoeggmroxyunxvy5rfkx3g6k4kd ==> Installing automake-1.16.5-6d4oepoeggmroxyunxvy5rfkx3g6k4kd ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /vvjy6s2mdt3kdtzjmjixrdvw44sva2ef # lz4@1.10.0~ipo+pic build_system=cmake build_type=Release generator=make libs:=shared,static platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/e1/e1016034ac17d9f3763400f2721b9a102d29189fa00c38ad7f0e35f73bb7791e ==> Extracting lz4-1.10.0-vvjy6s2mdt3kdtzjmjixrdvw44sva2ef from binary cache ==> lz4: Successfully installed lz4-1.10.0-vvjy6s2mdt3kdtzjmjixrdvw44sva2ef Search: 0.00s. Fetch: 0.77s. Install: 0.04s. Extract: 0.02s. Relocate: 0.01s. Total: 0.81s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/lz4-1.10.0-vvjy6s2mdt3kdtzjmjixrdvw44sva2ef ==> Installing lz4-1.10.0-vvjy6s2mdt3kdtzjmjixrdvw44sva2ef /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /4wzhdff3gw6hlqy55nbndysknxesthw7 # py-markupsafe@3.0.2 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/84/8437b0763ef87beb2f9df1cc4483eff3047cfdfe14c8724c73fc2d571df3f911 ==> Extracting py-markupsafe-3.0.2-4wzhdff3gw6hlqy55nbndysknxesthw7 from binary cache ==> py-markupsafe: Successfully installed py-markupsafe-3.0.2-4wzhdff3gw6hlqy55nbndysknxesthw7 Search: 0.00s. Fetch: 0.65s. Install: 0.15s. Extract: 0.01s. Relocate: 0.02s. Total: 0.80s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-markupsafe-3.0.2-4wzhdff3gw6hlqy55nbndysknxesthw7 ==> Installing py-markupsafe-3.0.2-4wzhdff3gw6hlqy55nbndysknxesthw7 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /gf3imzpax7l2rxzzeso3yzitkhwn6fwr # pthreadpool@2023-08-29~ipo build_system=cmake build_type=Release commit=4fe0e1e183925bf8cfa6aae24237e724a96479b8 generator=ninja platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/00/006fae057dfbd3345c3b47632a9b2b40edd937d2edf5201bf41ae8597fbb1896 ==> Extracting pthreadpool-2023-08-29-gf3imzpax7l2rxzzeso3yzitkhwn6fwr from binary cache ==> pthreadpool: Successfully installed pthreadpool-2023-08-29-gf3imzpax7l2rxzzeso3yzitkhwn6fwr Search: 0.00s. Fetch: 0.71s. Install: 0.02s. Extract: 0.01s. Relocate: 0.01s. Total: 0.73s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/pthreadpool-2023-08-29-gf3imzpax7l2rxzzeso3yzitkhwn6fwr ==> Installing pthreadpool-2023-08-29-gf3imzpax7l2rxzzeso3yzitkhwn6fwr /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /3kjfxkduom2l3t5wvfhoqmxrqm67gecm # nvtx@3.2.1+python build_system=generic patches:=8f82f00 platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/77/774b6b372bc20598fff6f5a31f995538bda91c55d72237cfe17c18f7c4ed97c7 ==> Extracting nvtx-3.2.1-3kjfxkduom2l3t5wvfhoqmxrqm67gecm from binary cache ==> nvtx: Successfully installed nvtx-3.2.1-3kjfxkduom2l3t5wvfhoqmxrqm67gecm Search: 0.00s. Fetch: 0.57s. Install: 0.38s. Extract: 0.03s. Relocate: 0.12s. Total: 0.95s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/nvtx-3.2.1-3kjfxkduom2l3t5wvfhoqmxrqm67gecm ==> Installing nvtx-3.2.1-3kjfxkduom2l3t5wvfhoqmxrqm67gecm /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /5fkkplc24rqc2i722uw64savvdey5sq4 # py-trove-classifiers@2025.9.11.17 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/eb/ebdbb596dc54d4d0517d87b5e664e3fec5152561edf2d67bc89a56ef67a036e5 ==> Extracting py-trove-classifiers-2025.9.11.17-5fkkplc24rqc2i722uw64savvdey5sq4 from binary cache ==> py-trove-classifiers: Successfully installed py-trove-classifiers-2025.9.11.17-5fkkplc24rqc2i722uw64savvdey5sq4 Search: 0.00s. Fetch: 0.62s. Install: 0.04s. Extract: 0.01s. Relocate: 0.01s. Total: 0.66s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-trove-classifiers-2025.9.11.17-5fkkplc24rqc2i722uw64savvdey5sq4 ==> Installing py-trove-classifiers-2025.9.11.17-5fkkplc24rqc2i722uw64savvdey5sq4 ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /m4ow6ldsmzetoh3saila6xks2gqbmssy # libxc@7.0.0~cuda+fortran~ipo+kxc~lxc+shared build_system=cmake build_type=Release generator=ninja platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/2b/2bafab4dbdc5145cb776c10fea90e623a741d7bdaa2447466d3980d9dc5041ce ==> Extracting libxc-7.0.0-m4ow6ldsmzetoh3saila6xks2gqbmssy from binary cache ==> libxc: Successfully installed libxc-7.0.0-m4ow6ldsmzetoh3saila6xks2gqbmssy Search: 0.00s. Fetch: 0.91s. Install: 0.66s. Extract: 0.55s. Relocate: 0.09s. Total: 1.58s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/libxc-7.0.0-m4ow6ldsmzetoh3saila6xks2gqbmssy ==> Installing libxc-7.0.0-m4ow6ldsmzetoh3saila6xks2gqbmssy ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /rgqdhxxcfcbrcxe3cxdvk4g6ntdk4w7t # py-sympy@1.13.3 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/de/de12ac95b126e54110135b54b0a4f1bb717f63dda3a47284dfb1ee467115cd51 ==> Extracting py-sympy-1.13.3-rgqdhxxcfcbrcxe3cxdvk4g6ntdk4w7t from binary cache ==> py-sympy: Successfully installed py-sympy-1.13.3-rgqdhxxcfcbrcxe3cxdvk4g6ntdk4w7t Search: 0.00s. Fetch: 0.94s. Install: 1.05s. Extract: 1.02s. Relocate: 0.02s. Total: 2.00s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-sympy-1.13.3-rgqdhxxcfcbrcxe3cxdvk4g6ntdk4w7t ==> Installing py-sympy-1.13.3-rgqdhxxcfcbrcxe3cxdvk4g6ntdk4w7t /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /fnrexc6uhz6b6i67pn3p7gn57jj3mvsv # xpmem@master~kernel-module build_system=autotools commit=3bcab55479489fdd93847fa04c58ab16e9c0b3fd platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/14/14682a0d28fc21f02b7e8ba7acda032050bce4dff81f89d87c48e9430a358d59 ==> Extracting xpmem-master-fnrexc6uhz6b6i67pn3p7gn57jj3mvsv from binary cache ==> xpmem: Successfully installed xpmem-master-fnrexc6uhz6b6i67pn3p7gn57jj3mvsv Search: 0.00s. Fetch: 0.63s. Install: 0.03s. Extract: 0.01s. Relocate: 0.00s. Total: 0.66s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/xpmem-master-fnrexc6uhz6b6i67pn3p7gn57jj3mvsv ==> Installing xpmem-master-fnrexc6uhz6b6i67pn3p7gn57jj3mvsv /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /k27hcxaoafcn2lrynp3zoh4zle2fs6zp # numactl@2.0.18 build_system=autotools platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/48/48f5f242280728f2e36ce8630fe460c6dc628b8296e6deae8c83361b0c918752 ==> Extracting numactl-2.0.18-k27hcxaoafcn2lrynp3zoh4zle2fs6zp from binary cache ==> numactl: Successfully installed numactl-2.0.18-k27hcxaoafcn2lrynp3zoh4zle2fs6zp Search: 0.00s. Fetch: 0.67s. Install: 0.17s. Extract: 0.02s. Relocate: 0.02s. Total: 0.85s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/numactl-2.0.18-k27hcxaoafcn2lrynp3zoh4zle2fs6zp ==> Installing numactl-2.0.18-k27hcxaoafcn2lrynp3zoh4zle2fs6zp /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /a5mq7alyumu6lceou4gkuxhjgxclgj5d # gmp@6.3.0+cxx build_system=autotools libs:=shared,static platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/9a/9a5a49ed4487e8390f454928efae8099f3da888614adb82f74f2c242e657c944 ==> Extracting gmp-6.3.0-a5mq7alyumu6lceou4gkuxhjgxclgj5d from binary cache ==> gmp: Successfully installed gmp-6.3.0-a5mq7alyumu6lceou4gkuxhjgxclgj5d Search: 0.00s. Fetch: 0.62s. Install: 0.17s. Extract: 0.03s. Relocate: 0.03s. Total: 0.79s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/gmp-6.3.0-a5mq7alyumu6lceou4gkuxhjgxclgj5d ==> Installing gmp-6.3.0-a5mq7alyumu6lceou4gkuxhjgxclgj5d /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /2xzj6prf34pfprl3c7jiltegmw4327h7 # libyaml@0.2.5 build_system=autotools platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/79/791f0b539dc6a2d1508badc371e742703b747922f7f6a20416fb89168e179497 ==> Extracting libyaml-0.2.5-2xzj6prf34pfprl3c7jiltegmw4327h7 from binary cache ==> libyaml: Successfully installed libyaml-0.2.5-2xzj6prf34pfprl3c7jiltegmw4327h7 Search: 0.00s. Fetch: 0.70s. Install: 0.44s. Extract: 0.02s. Relocate: 0.01s. Total: 1.14s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/libyaml-0.2.5-2xzj6prf34pfprl3c7jiltegmw4327h7 ==> Installing libyaml-0.2.5-2xzj6prf34pfprl3c7jiltegmw4327h7 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /tnpl2b7qjjybyac5cxqam4ybcqb5oomq # tblite@0.5.0~ipo+openmp~python build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/be/bed79952d00d2c4ec361d13d90d07f7ead3d84b0b68156b1cc71d0a122d3df48 ==> Extracting tblite-0.5.0-tnpl2b7qjjybyac5cxqam4ybcqb5oomq from binary cache ==> tblite: Successfully installed tblite-0.5.0-tnpl2b7qjjybyac5cxqam4ybcqb5oomq Search: 0.00s. Fetch: 0.66s. Install: 0.41s. Extract: 0.16s. Relocate: 0.12s. Total: 1.07s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/tblite-0.5.0-tnpl2b7qjjybyac5cxqam4ybcqb5oomq ==> Installing tblite-0.5.0-tnpl2b7qjjybyac5cxqam4ybcqb5oomq /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /flitnzkzsijnkrpqrwbzsbtv2d5qsdnu # libxml2@2.13.5~http~ipo+pic~python+shared build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/82/821b58f0ba7fb00a85cbb1236de07ffeee37d29ff359718506c518780543286e ==> Extracting libxml2-2.13.5-flitnzkzsijnkrpqrwbzsbtv2d5qsdnu from binary cache ==> libxml2: Successfully installed libxml2-2.13.5-flitnzkzsijnkrpqrwbzsbtv2d5qsdnu Search: 0.00s. Fetch: 0.59s. Install: 0.19s. Extract: 0.05s. Relocate: 0.02s. Total: 0.79s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/libxml2-2.13.5-flitnzkzsijnkrpqrwbzsbtv2d5qsdnu ==> Installing libxml2-2.13.5-flitnzkzsijnkrpqrwbzsbtv2d5qsdnu /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /jb63grkdv3oyemymffshkaldf3fygan3 # py-six@1.17.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/b0/b0f95d5158f1364e534e9d69d1fa7bf32c4bae3409816da5e66436af86062b37 ==> Extracting py-six-1.17.0-jb63grkdv3oyemymffshkaldf3fygan3 from binary cache ==> py-six: Successfully installed py-six-1.17.0-jb63grkdv3oyemymffshkaldf3fygan3 Search: 0.00s. Fetch: 0.61s. Install: 0.44s. Extract: 0.01s. Relocate: 0.00s. Total: 1.05s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-six-1.17.0-jb63grkdv3oyemymffshkaldf3fygan3 ==> Installing py-six-1.17.0-jb63grkdv3oyemymffshkaldf3fygan3 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /ps4zgq7ueysgcggv73dafjgq7ilez46h # yaksa@0.4~cuda~level_zero~rocm build_system=autotools platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/63/63ec08e59f03551e6b8d4c54334d63a87f23268f576ab2eb9f38b97c953d28b1 ==> Extracting yaksa-0.4-ps4zgq7ueysgcggv73dafjgq7ilez46h from binary cache ==> yaksa: Successfully installed yaksa-0.4-ps4zgq7ueysgcggv73dafjgq7ilez46h Search: 0.00s. Fetch: 0.62s. Install: 0.27s. Extract: 0.08s. Relocate: 0.12s. Total: 0.89s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/yaksa-0.4-ps4zgq7ueysgcggv73dafjgq7ilez46h ==> Installing yaksa-0.4-ps4zgq7ueysgcggv73dafjgq7ilez46h /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /w2qyeokl6p4povy2fahb4r5yz3uh7bdg # zstd@1.5.7~ipo~programs build_system=cmake build_type=Release generator=make libs:=shared,static platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/18/18a0c7b1d75775eb8820e25ad0914000acbf59920a20bfe9b65bf735c76299a6 ==> Extracting zstd-1.5.7-w2qyeokl6p4povy2fahb4r5yz3uh7bdg from binary cache ==> zstd: Successfully installed zstd-1.5.7-w2qyeokl6p4povy2fahb4r5yz3uh7bdg Search: 0.00s. Fetch: 0.80s. Install: 0.46s. Extract: 0.04s. Relocate: 0.01s. Total: 1.27s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/zstd-1.5.7-w2qyeokl6p4povy2fahb4r5yz3uh7bdg ==> Installing zstd-1.5.7-w2qyeokl6p4povy2fahb4r5yz3uh7bdg ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /zxsv7o645bd7po7soelaeb22fbjxzawn # libpciaccess@0.17 build_system=autotools platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/67/675f7dfab4e7dbcd732c24a83ba15266b9adc85d465c2b59a57ef2514894e47b ==> Extracting libpciaccess-0.17-zxsv7o645bd7po7soelaeb22fbjxzawn from binary cache ==> libpciaccess: Successfully installed libpciaccess-0.17-zxsv7o645bd7po7soelaeb22fbjxzawn Search: 0.00s. Fetch: 0.75s. Install: 0.23s. Extract: 0.01s. Relocate: 0.01s. Total: 0.99s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/libpciaccess-0.17-zxsv7o645bd7po7soelaeb22fbjxzawn ==> Installing libpciaccess-0.17-zxsv7o645bd7po7soelaeb22fbjxzawn ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /uebkqg52ncx2s5jkjf3uxdlroibmillg # py-flit-core@3.12.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/30/30cbb3a2d0a9e39501d6972040f075fdffd588e183be3a3fe5170fe68d66fb7c ==> Extracting py-flit-core-3.12.0-uebkqg52ncx2s5jkjf3uxdlroibmillg from binary cache ==> py-flit-core: Successfully installed py-flit-core-3.12.0-uebkqg52ncx2s5jkjf3uxdlroibmillg Search: 0.00s. Fetch: 0.65s. Install: 0.03s. Extract: 0.01s. Relocate: 0.00s. Total: 0.68s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-flit-core-3.12.0-uebkqg52ncx2s5jkjf3uxdlroibmillg ==> Installing py-flit-core-3.12.0-uebkqg52ncx2s5jkjf3uxdlroibmillg /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /6nrlyosswx6rwfu2rkr7ei5gjl7bzplf # gettext@0.23.1+bzip2+curses+git~libunistring+libxml2+pic+shared+tar+xz build_system=autotools platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/b9/b935ef24859a95f04f2986e4f482dfb4644159baadf033eccb9ac4c9de1d12c3 ==> Extracting gettext-0.23.1-6nrlyosswx6rwfu2rkr7ei5gjl7bzplf from binary cache ==> gettext: Successfully installed gettext-0.23.1-6nrlyosswx6rwfu2rkr7ei5gjl7bzplf Search: 0.00s. Fetch: 0.84s. Install: 0.64s. Extract: 0.60s. Relocate: 0.03s. Total: 1.48s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/gettext-0.23.1-6nrlyosswx6rwfu2rkr7ei5gjl7bzplf ==> Installing gettext-0.23.1-6nrlyosswx6rwfu2rkr7ei5gjl7bzplf /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /rhp2dnwg5urqskkxkobjv6oxfwuikwwo # spdlog@1.15.0~ipo+shared build_system=cmake build_type=Release generator=make patches:=5ed92f4,fd4cbb1,fdc325d platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/a4/a41ff2337eae38660b134c449aa568d2c0bd9ea8ee0ebc9e7d77ab1ef2f3249a ==> Extracting spdlog-1.15.0-rhp2dnwg5urqskkxkobjv6oxfwuikwwo from binary cache ==> spdlog: Successfully installed spdlog-1.15.0-rhp2dnwg5urqskkxkobjv6oxfwuikwwo Search: 0.00s. Fetch: 0.63s. Install: 0.17s. Extract: 0.03s. Relocate: 0.02s. Total: 0.81s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/spdlog-1.15.0-rhp2dnwg5urqskkxkobjv6oxfwuikwwo ==> Installing spdlog-1.15.0-rhp2dnwg5urqskkxkobjv6oxfwuikwwo /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /222udapkeokpspddletq574bpbbh3sss # libarchive@3.8.0+iconv build_system=autotools compression:=bz2lib,lz4,lzma,lzo2,zlib,zstd crypto=openssl libs:=shared,static programs:=none xar=libxml2 platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/fd/fd6aeab17fa191301bafd1bab1bf9fb62817865093c5cbe3b3cd5651d9c590f4 ==> Extracting libarchive-3.8.0-222udapkeokpspddletq574bpbbh3sss from binary cache ==> libarchive: Successfully installed libarchive-3.8.0-222udapkeokpspddletq574bpbbh3sss Search: 0.00s. Fetch: 0.86s. Install: 0.14s. Extract: 0.10s. Relocate: 0.03s. Total: 1.00s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/libarchive-3.8.0-222udapkeokpspddletq574bpbbh3sss ==> Installing libarchive-3.8.0-222udapkeokpspddletq574bpbbh3sss ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /4rzpt6f6upnvtqecr7m23w7y3jueauka # greenx@2.2+ac+gmp~ipo~lbasis+minmax~paw+shared build_system=cmake build_type=Release generator=make patches:=6d591e2,96ab658 platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/11/1143b8fb5b5b4e3f886d00180eb8fd37402167a0eb4a7c8f1df75ac3b74cad61 ==> Extracting greenx-2.2-4rzpt6f6upnvtqecr7m23w7y3jueauka from binary cache ==> greenx: Successfully installed greenx-2.2-4rzpt6f6upnvtqecr7m23w7y3jueauka Search: 0.00s. Fetch: 0.59s. Install: 0.15s. Extract: 0.02s. Relocate: 0.01s. Total: 0.74s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/greenx-2.2-4rzpt6f6upnvtqecr7m23w7y3jueauka ==> Installing greenx-2.2-4rzpt6f6upnvtqecr7m23w7y3jueauka ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /m6wphirldqeatbqgbwkb2cofceo4leww # py-packaging@25.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/48/4837bb6aef319a7a437e2fe0ea8b9a0de372143f11ab0c290d3175ca95e0ab50 ==> Extracting py-packaging-25.0-m6wphirldqeatbqgbwkb2cofceo4leww from binary cache ==> py-packaging: Successfully installed py-packaging-25.0-m6wphirldqeatbqgbwkb2cofceo4leww Search: 0.00s. Fetch: 0.69s. Install: 0.05s. Extract: 0.02s. Relocate: 0.02s. Total: 0.74s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-packaging-25.0-m6wphirldqeatbqgbwkb2cofceo4leww ==> Installing py-packaging-25.0-m6wphirldqeatbqgbwkb2cofceo4leww /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /oyk2gm3xle57lrxqa6suj6pal24qnjae # c-blosc2@2.15.1+avx2~ipo+lizard+lz4+snappy+zlib+zstd build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/d5/d58e394592d779cd8ce62d11ed837f01ba6b3fbe7fbc2f93c3ece734e82e164c ==> Extracting c-blosc2-2.15.1-oyk2gm3xle57lrxqa6suj6pal24qnjae from binary cache ==> c-blosc2: Successfully installed c-blosc2-2.15.1-oyk2gm3xle57lrxqa6suj6pal24qnjae Search: 0.00s. Fetch: 0.70s. Install: 0.08s. Extract: 0.03s. Relocate: 0.03s. Total: 0.78s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/c-blosc2-2.15.1-oyk2gm3xle57lrxqa6suj6pal24qnjae ==> Installing c-blosc2-2.15.1-oyk2gm3xle57lrxqa6suj6pal24qnjae /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /2fivvmjcnrvwiobtgi7gs32bsnfih63e # sz@2.1.12.5~examples~fortran~hdf5~ipo~netcdf+openmp~pastri~python~random_access+shared~stats~time_compression build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/f4/f4ae58d94a617bab1b43cb037d5f0da19f769621225b03587edf6abc1a6e12c9 ==> Extracting sz-2.1.12.5-2fivvmjcnrvwiobtgi7gs32bsnfih63e from binary cache ==> sz: Successfully installed sz-2.1.12.5-2fivvmjcnrvwiobtgi7gs32bsnfih63e Search: 0.00s. Fetch: 0.63s. Install: 0.05s. Extract: 0.03s. Relocate: 0.01s. Total: 0.69s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/sz-2.1.12.5-2fivvmjcnrvwiobtgi7gs32bsnfih63e ==> Installing sz-2.1.12.5-2fivvmjcnrvwiobtgi7gs32bsnfih63e /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /7r5l4ruqnx6kypjxjzm65qjy6be6niki # py-idna@3.10 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/b1/b1d2364a420a673c29a3583988eacbb32e52b04c342d015cdb7a835f54730634 ==> Extracting py-idna-3.10-7r5l4ruqnx6kypjxjzm65qjy6be6niki from binary cache ==> py-idna: Successfully installed py-idna-3.10-7r5l4ruqnx6kypjxjzm65qjy6be6niki Search: 0.00s. Fetch: 0.66s. Install: 0.27s. Extract: 0.01s. Relocate: 0.02s. Total: 0.93s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-idna-3.10-7r5l4ruqnx6kypjxjzm65qjy6be6niki ==> Installing py-idna-3.10-7r5l4ruqnx6kypjxjzm65qjy6be6niki ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /asn2qh3bif6c6fj5e4sw7hzx56hsp5ro # py-typing-extensions@4.14.1 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/24/24d06010f80c09dc305cab0f31ff8704d4963e7c06d0ef9fe1fe05ec5d047c89 ==> Extracting py-typing-extensions-4.14.1-asn2qh3bif6c6fj5e4sw7hzx56hsp5ro from binary cache ==> py-typing-extensions: Successfully installed py-typing-extensions-4.14.1-asn2qh3bif6c6fj5e4sw7hzx56hsp5ro Search: 0.00s. Fetch: 0.64s. Install: 0.15s. Extract: 0.01s. Relocate: 0.12s. Total: 0.80s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-typing-extensions-4.14.1-asn2qh3bif6c6fj5e4sw7hzx56hsp5ro ==> Installing py-typing-extensions-4.14.1-asn2qh3bif6c6fj5e4sw7hzx56hsp5ro /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /7hlmvc75omrglzuujkhk4wfo6dcx3ck6 # mgard@compat-2023-12-09~cuda~ipo+openmp~rocm+serial~timing~unstructured build_system=cmake build_type=Release commit=d61d8c06c49a72b2e582cc02de88b7b27e1275d2 generator=make patches:=3c72d1d,4cbb01c,7137bcb platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/fb/fbf84716d79a33ba4e677875ce639b1ad67551b6d54b52a2eefcf371f1c68237 ==> Extracting mgard-compat-2023-12-09-7hlmvc75omrglzuujkhk4wfo6dcx3ck6 from binary cache ==> mgard: Successfully installed mgard-compat-2023-12-09-7hlmvc75omrglzuujkhk4wfo6dcx3ck6 Search: 0.00s. Fetch: 0.73s. Install: 0.27s. Extract: 0.24s. Relocate: 0.01s. Total: 1.00s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/mgard-compat-2023-12-09-7hlmvc75omrglzuujkhk4wfo6dcx3ck6 ==> Installing mgard-compat-2023-12-09-7hlmvc75omrglzuujkhk4wfo6dcx3ck6 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /pg3j7xq6sq74qxu5totmzqh5qux3ijyw # py-pathspec@0.12.1 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/94/94672a32f32e96fd4e2aebdd3132eb9da14ef25e2e24dc40657b88736ee709b1 ==> Extracting py-pathspec-0.12.1-pg3j7xq6sq74qxu5totmzqh5qux3ijyw from binary cache ==> py-pathspec: Successfully installed py-pathspec-0.12.1-pg3j7xq6sq74qxu5totmzqh5qux3ijyw Search: 0.00s. Fetch: 0.62s. Install: 0.03s. Extract: 0.01s. Relocate: 0.00s. Total: 0.66s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-pathspec-0.12.1-pg3j7xq6sq74qxu5totmzqh5qux3ijyw ==> Installing py-pathspec-0.12.1-pg3j7xq6sq74qxu5totmzqh5qux3ijyw /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /52ger4xpdbgove7szbcudh5qhtnj53j2 # hwloc@2.12.2~cairo~cuda~gl~level_zero~libudev+libxml2~nvml~opencl+pci~rocm build_system=autotools libs:=shared,static platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/71/71b69ab2f6ec65501b47c5da88c73fd91353004f1263d9bc6911e390b2e69cec ==> Extracting hwloc-2.12.2-52ger4xpdbgove7szbcudh5qhtnj53j2 from binary cache ==> hwloc: Successfully installed hwloc-2.12.2-52ger4xpdbgove7szbcudh5qhtnj53j2 Search: 0.00s. Fetch: 0.73s. Install: 0.35s. Extract: 0.23s. Relocate: 0.07s. Total: 1.08s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/hwloc-2.12.2-52ger4xpdbgove7szbcudh5qhtnj53j2 ==> Installing hwloc-2.12.2-52ger4xpdbgove7szbcudh5qhtnj53j2 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /fc4v23x6kktjjncor5iexq64xdqlinv4 # py-pyproject-metadata@0.9.1 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/10/10bb3ce785bdcdc8cb841013f6120321195739bbc29705cceb41c47a452d0e4f ==> Extracting py-pyproject-metadata-0.9.1-fc4v23x6kktjjncor5iexq64xdqlinv4 from binary cache ==> py-pyproject-metadata: Successfully installed py-pyproject-metadata-0.9.1-fc4v23x6kktjjncor5iexq64xdqlinv4 Search: 0.00s. Fetch: 0.54s. Install: 0.05s. Extract: 0.01s. Relocate: 0.02s. Total: 0.59s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-pyproject-metadata-0.9.1-fc4v23x6kktjjncor5iexq64xdqlinv4 ==> Installing py-pyproject-metadata-0.9.1-fc4v23x6kktjjncor5iexq64xdqlinv4 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /qtmdqh3uusbtahsl5lxpxkbb7of6pvpn # pace@2025.12.4~ipo+pic~shared build_system=cmake build_type=Release commit=8d0483447e94d17e01cbc1826a88cae1d8c3aab6 generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/3a/3abe29f7d56f986d601d990b65e04c1f5a51e42c75f85381436e3fb194f7f7c0 ==> Extracting pace-2025.12.4-qtmdqh3uusbtahsl5lxpxkbb7of6pvpn from binary cache ==> pace: Successfully installed pace-2025.12.4-qtmdqh3uusbtahsl5lxpxkbb7of6pvpn Search: 0.00s. Fetch: 0.62s. Install: 0.05s. Extract: 0.04s. Relocate: 0.00s. Total: 0.68s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/pace-2025.12.4-qtmdqh3uusbtahsl5lxpxkbb7of6pvpn ==> Installing pace-2025.12.4-qtmdqh3uusbtahsl5lxpxkbb7of6pvpn /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /qeofm4kbw5b5sgheoep6cyfubci7b67g # py-pyyaml@6.0.3+libyaml build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/43/435f932a58126377529ed86cf355195c5e62eab01b1b763552bd01647816e67c ==> Extracting py-pyyaml-6.0.3-qeofm4kbw5b5sgheoep6cyfubci7b67g from binary cache ==> py-pyyaml: Successfully installed py-pyyaml-6.0.3-qeofm4kbw5b5sgheoep6cyfubci7b67g Search: 0.00s. Fetch: 0.69s. Install: 0.16s. Extract: 0.02s. Relocate: 0.02s. Total: 0.85s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-pyyaml-6.0.3-qeofm4kbw5b5sgheoep6cyfubci7b67g ==> Installing py-pyyaml-6.0.3-qeofm4kbw5b5sgheoep6cyfubci7b67g /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /ltpuasjlyob35jpatib3hd3ieahqzxgw # texinfo@7.2~xs build_system=autotools platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/86/8676d01ae9b266f21444a4bd03b81c0b291d3a9f58f92298213e5259a3d2b9c4 ==> Extracting texinfo-7.2-ltpuasjlyob35jpatib3hd3ieahqzxgw from binary cache ==> texinfo: Successfully installed texinfo-7.2-ltpuasjlyob35jpatib3hd3ieahqzxgw Search: 0.00s. Fetch: 0.65s. Install: 0.37s. Extract: 0.22s. Relocate: 0.03s. Total: 1.03s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/texinfo-7.2-ltpuasjlyob35jpatib3hd3ieahqzxgw ==> Installing texinfo-7.2-ltpuasjlyob35jpatib3hd3ieahqzxgw /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /c65fp2pnnlfy54b6rg7eytfhhoew37va # py-jinja2@3.1.6~i18n build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/6d/6ddaf72c7e590b2d578102392900d903dead98054e4fb201a461dfe8f767c4c1 ==> Extracting py-jinja2-3.1.6-c65fp2pnnlfy54b6rg7eytfhhoew37va from binary cache ==> py-jinja2: Successfully installed py-jinja2-3.1.6-c65fp2pnnlfy54b6rg7eytfhhoew37va Search: 0.00s. Fetch: 0.59s. Install: 0.23s. Extract: 0.02s. Relocate: 0.02s. Total: 0.82s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-jinja2-3.1.6-c65fp2pnnlfy54b6rg7eytfhhoew37va ==> Installing py-jinja2-3.1.6-c65fp2pnnlfy54b6rg7eytfhhoew37va /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /4oncvxanqfnzd7zkz7jxnx3lzrs7vt23 # py-setuptools-scm@8.2.1+toml build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/23/23ba20b4c9a96e3e55732056b9e1269c917bce0739a73c973de74e737c122e4e ==> Extracting py-setuptools-scm-8.2.1-4oncvxanqfnzd7zkz7jxnx3lzrs7vt23 from binary cache ==> py-setuptools-scm: Successfully installed py-setuptools-scm-8.2.1-4oncvxanqfnzd7zkz7jxnx3lzrs7vt23 Search: 0.00s. Fetch: 0.58s. Install: 0.06s. Extract: 0.02s. Relocate: 0.02s. Total: 0.64s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-setuptools-scm-8.2.1-4oncvxanqfnzd7zkz7jxnx3lzrs7vt23 ==> Installing py-setuptools-scm-8.2.1-4oncvxanqfnzd7zkz7jxnx3lzrs7vt23 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /s2hnlyadavoavts5c4wxrjqbiatp2ceg # py-meson-python@0.18.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/02/02ba5bbdbb779040f2067ae1a50ae596b67d7c39d94d6bcf673ae1430bac465f ==> Extracting py-meson-python-0.18.0-s2hnlyadavoavts5c4wxrjqbiatp2ceg from binary cache ==> py-meson-python: Successfully installed py-meson-python-0.18.0-s2hnlyadavoavts5c4wxrjqbiatp2ceg Search: 0.00s. Fetch: 0.59s. Install: 0.24s. Extract: 0.01s. Relocate: 0.00s. Total: 0.83s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-meson-python-0.18.0-s2hnlyadavoavts5c4wxrjqbiatp2ceg ==> Installing py-meson-python-0.18.0-s2hnlyadavoavts5c4wxrjqbiatp2ceg /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /yyiya5uqalwngfzs3zc7ptlto4flzo3x # jonquil@0.3.0~ipo build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/9f/9f7f180d62f7f11ebc1e8a0878cd2a349ecf023b6e86f43421adb47303aeaad2 ==> Extracting jonquil-0.3.0-yyiya5uqalwngfzs3zc7ptlto4flzo3x from binary cache ==> jonquil: Successfully installed jonquil-0.3.0-yyiya5uqalwngfzs3zc7ptlto4flzo3x Search: 0.00s. Fetch: 0.62s. Install: 0.13s. Extract: 0.01s. Relocate: 0.01s. Total: 0.76s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/jonquil-0.3.0-yyiya5uqalwngfzs3zc7ptlto4flzo3x ==> Installing jonquil-0.3.0-yyiya5uqalwngfzs3zc7ptlto4flzo3x /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /swyihfltiaij2dqdi37ojpgummhtjqzc # py-protobuf@3.13.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/58/582923a71ba492e7ac5b8dea067e6f78dab2db081eb31063ad5819826d7dc6ee ==> Extracting py-protobuf-3.13.0-swyihfltiaij2dqdi37ojpgummhtjqzc from binary cache ==> py-protobuf: Successfully installed py-protobuf-3.13.0-swyihfltiaij2dqdi37ojpgummhtjqzc Search: 0.00s. Fetch: 0.59s. Install: 0.06s. Extract: 0.04s. Relocate: 0.01s. Total: 0.65s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-protobuf-3.13.0-swyihfltiaij2dqdi37ojpgummhtjqzc ==> Installing py-protobuf-3.13.0-swyihfltiaij2dqdi37ojpgummhtjqzc ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /cvhqqsdjdcespgf4mecpmze7ke52z43n # mpfr@4.2.1 build_system=autotools libs:=shared,static patches:=3ec29a6 platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/f8/f8a234770fcbe7fc9ba30e3d24d31305e6147cab6657d1666124e6bd7d7ce6b8 ==> Extracting mpfr-4.2.1-cvhqqsdjdcespgf4mecpmze7ke52z43n from binary cache ==> mpfr: Successfully installed mpfr-4.2.1-cvhqqsdjdcespgf4mecpmze7ke52z43n Search: 0.00s. Fetch: 0.76s. Install: 0.10s. Extract: 0.06s. Relocate: 0.03s. Total: 0.87s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/mpfr-4.2.1-cvhqqsdjdcespgf4mecpmze7ke52z43n ==> Installing mpfr-4.2.1-cvhqqsdjdcespgf4mecpmze7ke52z43n ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /qs2767lpyrqhhnbtme7lmvbkgp2gvr4c # py-tqdm@4.67.1~notebook~telegram build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/85/8585a7f0838aac58d1dfe01c61c30123e664f7c7e7aa9199c9bf5ccd106d1539 ==> Extracting py-tqdm-4.67.1-qs2767lpyrqhhnbtme7lmvbkgp2gvr4c from binary cache ==> py-tqdm: Successfully installed py-tqdm-4.67.1-qs2767lpyrqhhnbtme7lmvbkgp2gvr4c Search: 0.00s. Fetch: 0.60s. Install: 0.16s. Extract: 0.02s. Relocate: 0.12s. Total: 0.76s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-tqdm-4.67.1-qs2767lpyrqhhnbtme7lmvbkgp2gvr4c ==> Installing py-tqdm-4.67.1-qs2767lpyrqhhnbtme7lmvbkgp2gvr4c /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /v7bxhdlux2355pwzevfozbdmhqhyicsn # mpich@4.3.2~argobots~cuda+fortran+hwloc+hydra~level_zero+libxml2+pci~rocm+romio~slurm~vci~verbs+wrapperrpath+xpmem build_system=autotools datatype-engine=auto device=ch4 netmod=ofi pmi=default platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/00/0044a8222e4394bb8c63d1705b5cc401525e2dca2555c6b05da341b822846311 ==> Extracting mpich-4.3.2-v7bxhdlux2355pwzevfozbdmhqhyicsn from binary cache ==> mpich: Successfully installed mpich-4.3.2-v7bxhdlux2355pwzevfozbdmhqhyicsn Search: 0.00s. Fetch: 0.83s. Install: 1.12s. Extract: 0.97s. Relocate: 0.03s. Total: 1.95s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/mpich-4.3.2-v7bxhdlux2355pwzevfozbdmhqhyicsn ==> Installing mpich-4.3.2-v7bxhdlux2355pwzevfozbdmhqhyicsn /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /junnkk4dznmvaz7wf7uf5xr5qi4qx2iz # py-pluggy@1.6.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/56/5665a5cdc95aa5844aad8cb28967cbf807592cbcee785152f7bfb235ef1ebcc9 ==> Extracting py-pluggy-1.6.0-junnkk4dznmvaz7wf7uf5xr5qi4qx2iz from binary cache ==> py-pluggy: Successfully installed py-pluggy-1.6.0-junnkk4dznmvaz7wf7uf5xr5qi4qx2iz Search: 0.00s. Fetch: 0.57s. Install: 0.05s. Extract: 0.01s. Relocate: 0.02s. Total: 0.63s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-pluggy-1.6.0-junnkk4dznmvaz7wf7uf5xr5qi4qx2iz ==> Installing py-pluggy-1.6.0-junnkk4dznmvaz7wf7uf5xr5qi4qx2iz /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /jopair6xnh54jltlhw5asg7cq3zjkrfs # py-numpy@1.26.4 build_system=python_pip patches:=873745d platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/c2/c2eb6739cfb984f34d270a5aa9e84a4228ae5e66ef3c1d4c4fcffb27a47a722f ==> Extracting py-numpy-1.26.4-jopair6xnh54jltlhw5asg7cq3zjkrfs from binary cache ==> py-numpy: Successfully installed py-numpy-1.26.4-jopair6xnh54jltlhw5asg7cq3zjkrfs Search: 0.00s. Fetch: 0.70s. Install: 0.60s. Extract: 0.49s. Relocate: 0.03s. Total: 1.31s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-numpy-1.26.4-jopair6xnh54jltlhw5asg7cq3zjkrfs ==> Installing py-numpy-1.26.4-jopair6xnh54jltlhw5asg7cq3zjkrfs /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /kaib55rkrncjuvjjxias2dkunrve6ozc # mctc-lib@0.3.2~ipo~json+openmp build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/18/1866462440abf25756db0a7bca997c4cd6bb8de33877640daf31206221ff1c49 ==> Extracting mctc-lib-0.3.2-kaib55rkrncjuvjjxias2dkunrve6ozc from binary cache ==> mctc-lib: Successfully installed mctc-lib-0.3.2-kaib55rkrncjuvjjxias2dkunrve6ozc Search: 0.00s. Fetch: 0.60s. Install: 0.06s. Extract: 0.02s. Relocate: 0.01s. Total: 0.66s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/mctc-lib-0.3.2-kaib55rkrncjuvjjxias2dkunrve6ozc ==> Installing mctc-lib-0.3.2-kaib55rkrncjuvjjxias2dkunrve6ozc ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /4oi5r74sku6morn6ywyqaerpa2ger2kd # mimic-mcl@3.0.0~coverage+fortran~ipo+mpi_f08+shared~tests build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/48/488b28a22a97603de2649cb2aa05726b5a3b7c7a8c3a9748e29370eb15b15bef ==> Extracting mimic-mcl-3.0.0-4oi5r74sku6morn6ywyqaerpa2ger2kd from binary cache ==> mimic-mcl: Successfully installed mimic-mcl-3.0.0-4oi5r74sku6morn6ywyqaerpa2ger2kd Search: 0.00s. Fetch: 0.61s. Install: 0.48s. Extract: 0.01s. Relocate: 0.03s. Total: 1.10s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/mimic-mcl-3.0.0-4oi5r74sku6morn6ywyqaerpa2ger2kd ==> Installing mimic-mcl-3.0.0-4oi5r74sku6morn6ywyqaerpa2ger2kd ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /riftym5pg42qheoy6o5ascwgfgdgp6mn # libcatalyst@2.0.0~conduit~fortran~ipo+mpi~python build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/47/4738d8a48d604df2b54a82b2d98c6559aacff39ed33f104a2d483c2063c58bdb ==> Extracting libcatalyst-2.0.0-riftym5pg42qheoy6o5ascwgfgdgp6mn from binary cache ==> libcatalyst: Successfully installed libcatalyst-2.0.0-riftym5pg42qheoy6o5ascwgfgdgp6mn Search: 0.00s. Fetch: 0.67s. Install: 0.32s. Extract: 0.04s. Relocate: 0.03s. Total: 0.99s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/libcatalyst-2.0.0-riftym5pg42qheoy6o5ascwgfgdgp6mn ==> Installing libcatalyst-2.0.0-riftym5pg42qheoy6o5ascwgfgdgp6mn ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /44b7ufrlg3jeoallpu76xdowxc5lxhfp # boost@1.86.0~atomic~charconv~chrono~clanglibcpp~cobalt~container~context~contract~coroutine~date_time~debug~exception~fiber~filesystem~graph~graph_parallel~icu~iostreams~json~locale~log~math+mpi~mqtt5+multithreaded~nowide~numpy+pic~program_options~python~random~regex~serialization+shared~signals2~singlethreaded~stacktrace~system~taggedlayout~test~thread~timer~type_erasure~url~versionedlayout~wave build_system=generic cxxstd=17 patches:=a440f96 visibility=hidden platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/23/23822ad49570d4592ddf4f3b229ef737f09dcda0b7b768f23d706f6f32d705f4 ==> Extracting boost-1.86.0-44b7ufrlg3jeoallpu76xdowxc5lxhfp from binary cache ==> boost: Successfully installed boost-1.86.0-44b7ufrlg3jeoallpu76xdowxc5lxhfp Search: 0.00s. Fetch: 0.96s. Install: 3.61s. Extract: 3.43s. Relocate: 0.15s. Total: 4.57s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/boost-1.86.0-44b7ufrlg3jeoallpu76xdowxc5lxhfp ==> Installing boost-1.86.0-44b7ufrlg3jeoallpu76xdowxc5lxhfp ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /lrw4fckf7crrme5yu7gzsoqzecxkpmlt # plumed@2.9.2+gsl+mpi+shared arrayfire=none build_system=autotools optional_modules:=all platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/b8/b8864947f8f9b8361fe5c4da9ffd56278d28f3999544e8f4a4486be6794af6ea ==> Extracting plumed-2.9.2-lrw4fckf7crrme5yu7gzsoqzecxkpmlt from binary cache ==> plumed: Successfully installed plumed-2.9.2-lrw4fckf7crrme5yu7gzsoqzecxkpmlt Search: 0.00s. Fetch: 0.79s. Install: 0.56s. Extract: 0.32s. Relocate: 0.03s. Total: 1.35s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/plumed-2.9.2-lrw4fckf7crrme5yu7gzsoqzecxkpmlt ==> Installing plumed-2.9.2-lrw4fckf7crrme5yu7gzsoqzecxkpmlt /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /vcz3ik5cq67z42psnirwp2i3z7yil75q # gawk@5.3.1~nls build_system=autotools platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/cb/cbc36a7ad2e894c8d486a348cd0236a82131eb6e7214ba29cb0b3217651686c1 ==> Extracting gawk-5.3.1-vcz3ik5cq67z42psnirwp2i3z7yil75q from binary cache ==> gawk: Successfully installed gawk-5.3.1-vcz3ik5cq67z42psnirwp2i3z7yil75q Search: 0.00s. Fetch: 0.72s. Install: 0.17s. Extract: 0.06s. Relocate: 0.03s. Total: 0.89s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/gawk-5.3.1-vcz3ik5cq67z42psnirwp2i3z7yil75q ==> Installing gawk-5.3.1-vcz3ik5cq67z42psnirwp2i3z7yil75q /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /cv6ui63qc2btxfrgkdccigsf3oz7ixrx # py-networkx@2.7.1+default~extra build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/27/27644d1768a96a32b7c1d625c906143fab09b0392f66d1a7cb5e6b3f7638dbe2 ==> Extracting py-networkx-2.7.1-cv6ui63qc2btxfrgkdccigsf3oz7ixrx from binary cache ==> py-networkx: Successfully installed py-networkx-2.7.1-cv6ui63qc2btxfrgkdccigsf3oz7ixrx Search: 0.00s. Fetch: 0.66s. Install: 0.39s. Extract: 0.29s. Relocate: 0.07s. Total: 1.05s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-networkx-2.7.1-cv6ui63qc2btxfrgkdccigsf3oz7ixrx ==> Installing py-networkx-2.7.1-cv6ui63qc2btxfrgkdccigsf3oz7ixrx /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /m5mcxlusavkd5cr3fv3ujvmhp7e4vge6 # py-hatchling@1.27.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/0f/0fe646face982dd5e98ed899f5957f3568124b83dfef0efef0157650ac75861b ==> Extracting py-hatchling-1.27.0-m5mcxlusavkd5cr3fv3ujvmhp7e4vge6 from binary cache ==> py-hatchling: Successfully installed py-hatchling-1.27.0-m5mcxlusavkd5cr3fv3ujvmhp7e4vge6 Search: 0.00s. Fetch: 0.61s. Install: 0.77s. Extract: 0.04s. Relocate: 0.03s. Total: 1.38s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-hatchling-1.27.0-m5mcxlusavkd5cr3fv3ujvmhp7e4vge6 ==> Installing py-hatchling-1.27.0-m5mcxlusavkd5cr3fv3ujvmhp7e4vge6 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /gwll5futylek6lpqkh3puxaoj5ytqkwh # multicharge@0.3.1~ipo+openmp build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/9b/9b40831af4cb448ac1cac0016e07a048bc3a513099304efd88072d32f05d4669 ==> Extracting multicharge-0.3.1-gwll5futylek6lpqkh3puxaoj5ytqkwh from binary cache ==> multicharge: Successfully installed multicharge-0.3.1-gwll5futylek6lpqkh3puxaoj5ytqkwh Search: 0.00s. Fetch: 0.64s. Install: 0.06s. Extract: 0.03s. Relocate: 0.01s. Total: 0.70s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/multicharge-0.3.1-gwll5futylek6lpqkh3puxaoj5ytqkwh ==> Installing multicharge-0.3.1-gwll5futylek6lpqkh3puxaoj5ytqkwh /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /jpypiw6wd2kc5k6rw7fmpdduc4hiig7i # parmetis@4.0.3~gdb~int64~ipo+shared build_system=cmake build_type=Release generator=make patches:=4f89253,50ed208,704b84f platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/f0/f08bea28c145d9007a7c31488df8c50f2c2ecd5eec9c81d8becbac084c4be99f ==> Extracting parmetis-4.0.3-jpypiw6wd2kc5k6rw7fmpdduc4hiig7i from binary cache ==> parmetis: Successfully installed parmetis-4.0.3-jpypiw6wd2kc5k6rw7fmpdduc4hiig7i Search: 0.00s. Fetch: 0.61s. Install: 0.06s. Extract: 0.01s. Relocate: 0.03s. Total: 0.68s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/parmetis-4.0.3-jpypiw6wd2kc5k6rw7fmpdduc4hiig7i ==> Installing parmetis-4.0.3-jpypiw6wd2kc5k6rw7fmpdduc4hiig7i /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /lhweq34vp7s4vbksy3ozvljuqnpmdbwk # dbcsr@2.9.1~cuda~cuda_arch_35_k20x~examples~ipo+mpi+mpi_f08~opencl+openmp~rocm+shared~tests build_system=cmake build_type=Release generator=ninja smm=libxsmm platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/db/db64f8cc5e7b9ca698043428dbfe46ed47a321863735b1bbfd857a9bf4c2945f ==> Extracting dbcsr-2.9.1-lhweq34vp7s4vbksy3ozvljuqnpmdbwk from binary cache ==> dbcsr: Successfully installed dbcsr-2.9.1-lhweq34vp7s4vbksy3ozvljuqnpmdbwk Search: 0.00s. Fetch: 0.68s. Install: 0.21s. Extract: 0.09s. Relocate: 0.03s. Total: 0.90s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/dbcsr-2.9.1-lhweq34vp7s4vbksy3ozvljuqnpmdbwk ==> Installing dbcsr-2.9.1-lhweq34vp7s4vbksy3ozvljuqnpmdbwk /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /s6mgodote3hgbf4eiozhpe5qm44qctru # hdf5@1.14.6~cxx+fortran+hl~ipo~java~map+mpi+shared~subfiling~szip~threadsafe+tools api=default build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/43/43712b067c86319e4b9330d63058a9b3e5f152cdda1efdd79b91bb03397a0db0 ==> Extracting hdf5-1.14.6-s6mgodote3hgbf4eiozhpe5qm44qctru from binary cache ==> hdf5: Successfully installed hdf5-1.14.6-s6mgodote3hgbf4eiozhpe5qm44qctru Search: 0.00s. Fetch: 0.82s. Install: 0.45s. Extract: 0.19s. Relocate: 0.13s. Total: 1.28s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/hdf5-1.14.6-s6mgodote3hgbf4eiozhpe5qm44qctru ==> Installing hdf5-1.14.6-s6mgodote3hgbf4eiozhpe5qm44qctru ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /2vkqahp3kb65mfl7g32gpm3v574psdhs # pika@0.34.0~apex~cuda~examples~generic_coroutines~ipo+mpi~rocm~sanitizers+shared~stdexec~tracy~valgrind build_system=cmake build_type=Release cxxstd=17 generator=ninja malloc=mimalloc platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/aa/aa2dcd3bdd69548fe9b7c2b1e797ce4a709ae6ecfe658b70eb8f92145fddffb5 ==> Extracting pika-0.34.0-2vkqahp3kb65mfl7g32gpm3v574psdhs from binary cache ==> pika: Successfully installed pika-0.34.0-2vkqahp3kb65mfl7g32gpm3v574psdhs Search: 0.00s. Fetch: 0.66s. Install: 0.27s. Extract: 0.14s. Relocate: 0.01s. Total: 0.94s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/pika-0.34.0-2vkqahp3kb65mfl7g32gpm3v574psdhs ==> Installing pika-0.34.0-2vkqahp3kb65mfl7g32gpm3v574psdhs ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /qr36eigsigyhml7utxcrjv7pkc434gi2 # umpire@2025.03.0~asan~backtrace+c~cuda~dev_benchmarks~device_alloc~deviceconst~examples+fmt_header_only~fortran~ipc_shmem~ipo+mpi~mpi3_shmem~numa~omptarget+openmp~rocm~sanitizer_tests+shared~sqlite_experimental~tools~werror build_system=cmake build_type=Release commit=1ed0669c57f041baa1f1070693991c3a7a43e7ee generator=make tests=none platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/22/22e4584b069b7e6b723828f89daf5cd41bd6bd7b4f754ba6f30c5778704bc993 ==> Extracting umpire-2025.03.0-qr36eigsigyhml7utxcrjv7pkc434gi2 from binary cache ==> umpire: Successfully installed umpire-2025.03.0-qr36eigsigyhml7utxcrjv7pkc434gi2 Search: 0.00s. Fetch: 0.69s. Install: 0.62s. Extract: 0.04s. Relocate: 0.23s. Total: 1.32s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/umpire-2025.03.0-qr36eigsigyhml7utxcrjv7pkc434gi2 ==> Installing umpire-2025.03.0-qr36eigsigyhml7utxcrjv7pkc434gi2 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /d5qchc5jidaydgmchs2l35c64ojctf6y # mpc@1.3.1 build_system=autotools libs:=shared,static platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/2b/2bbe3f35dc233fcbe706b3726818728795ff01ed98ad9930d7558ce246bc2b51 ==> Extracting mpc-1.3.1-d5qchc5jidaydgmchs2l35c64ojctf6y from binary cache ==> mpc: Successfully installed mpc-1.3.1-d5qchc5jidaydgmchs2l35c64ojctf6y Search: 0.00s. Fetch: 0.65s. Install: 0.35s. Extract: 0.02s. Relocate: 0.03s. Total: 1.01s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/mpc-1.3.1-d5qchc5jidaydgmchs2l35c64ojctf6y ==> Installing mpc-1.3.1-d5qchc5jidaydgmchs2l35c64ojctf6y /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /piwrpijty3meurwjozvitkzrqdcv7il3 # netlib-scalapack@2.2.2~ipo+pic+shared build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/73/73be95aa1d6a669bb1bc9d3d7b5c4fc7359e81ea1effd10ca812f94f5dacb486 ==> Extracting netlib-scalapack-2.2.2-piwrpijty3meurwjozvitkzrqdcv7il3 from binary cache ==> netlib-scalapack: Successfully installed netlib-scalapack-2.2.2-piwrpijty3meurwjozvitkzrqdcv7il3 Search: 0.00s. Fetch: 0.66s. Install: 1.14s. Extract: 0.06s. Relocate: 0.03s. Total: 1.80s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/netlib-scalapack-2.2.2-piwrpijty3meurwjozvitkzrqdcv7il3 ==> Installing netlib-scalapack-2.2.2-piwrpijty3meurwjozvitkzrqdcv7il3 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /ujq3yvw5ay5jfbw52omk3yzzsb6rdqzk # py-hatch-vcs@0.5.0 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/55/557d968e72be74cd9fc1b3b41e0a0c9ea5a7380d0238f9c8c291ad50c3efb600 ==> Extracting py-hatch-vcs-0.5.0-ujq3yvw5ay5jfbw52omk3yzzsb6rdqzk from binary cache ==> py-hatch-vcs: Successfully installed py-hatch-vcs-0.5.0-ujq3yvw5ay5jfbw52omk3yzzsb6rdqzk Search: 0.00s. Fetch: 0.62s. Install: 0.04s. Extract: 0.01s. Relocate: 0.00s. Total: 0.66s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-hatch-vcs-0.5.0-ujq3yvw5ay5jfbw52omk3yzzsb6rdqzk ==> Installing py-hatch-vcs-0.5.0-ujq3yvw5ay5jfbw52omk3yzzsb6rdqzk ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /vdqpqqh3dwbgrt4ansmgvp34gmvn3na3 # dftd4@3.7.0~ipo+openmp build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/62/62977f351e89a56957e8590a02308a6b39d784c1ead528ff8a3894e25cad7f98 ==> Extracting dftd4-3.7.0-vdqpqqh3dwbgrt4ansmgvp34gmvn3na3 from binary cache ==> dftd4: Successfully installed dftd4-3.7.0-vdqpqqh3dwbgrt4ansmgvp34gmvn3na3 Search: 0.00s. Fetch: 0.70s. Install: 0.24s. Extract: 0.02s. Relocate: 0.04s. Total: 0.95s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/dftd4-3.7.0-vdqpqqh3dwbgrt4ansmgvp34gmvn3na3 ==> Installing dftd4-3.7.0-vdqpqqh3dwbgrt4ansmgvp34gmvn3na3 ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /4cm5crjzoymjdidfuwdaqqj4hyhnkef5 # fftw@3.3.10+mpi+openmp~pfft_patches+shared build_system=autotools patches:=872cff9 precision:=double,float platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/17/17cf56751dff0dec56fe1fd920b7a063f7aaef8ce56b774e4836c7940bed114c ==> Extracting fftw-3.3.10-4cm5crjzoymjdidfuwdaqqj4hyhnkef5 from binary cache ==> fftw: Successfully installed fftw-3.3.10-4cm5crjzoymjdidfuwdaqqj4hyhnkef5 Search: 0.00s. Fetch: 0.81s. Install: 0.85s. Extract: 0.15s. Relocate: 0.23s. Total: 1.67s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/fftw-3.3.10-4cm5crjzoymjdidfuwdaqqj4hyhnkef5 ==> Installing fftw-3.3.10-4cm5crjzoymjdidfuwdaqqj4hyhnkef5 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /s3pno726rppu5cutydegqt357sqngfrg # libint@2.11.1~cxx~debug+fma+fortran~generic+shared build_system=autotools tune=cp2k-lmax-5 platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/f8/f8f7990e8b8d8ac23af0b857c81a2310db9be971c4e951fe22bcc26eb52d58d2 ==> Extracting libint-2.11.1-s3pno726rppu5cutydegqt357sqngfrg from binary cache ==> libint: Successfully installed libint-2.11.1-s3pno726rppu5cutydegqt357sqngfrg Search: 0.00s. Fetch: 1.18s. Install: 1.00s. Extract: 0.93s. Relocate: 0.04s. Total: 2.18s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/libint-2.11.1-s3pno726rppu5cutydegqt357sqngfrg ==> Installing libint-2.11.1-s3pno726rppu5cutydegqt357sqngfrg /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /pz6fbza2xhwj27vy4eojb4hqoqz2hcwl # adios2@2.10.2~aws+blosc2~bzip2~campaign~cuda~dataman~dataspaces+fortran~hdf5~ipo~kokkos+libcatalyst~libpressio+mgard+mpi+pic+png~python~rocm+shared+sst~sycl+sz+zfp build_system=cmake build_type=Release generator=make patches:=5b56f4b,d854008 platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/4b/4b9d4d1a70477a3987d61f359c1a390313d491d69bb4dc471618c644284c8cf9 ==> Extracting adios2-2.10.2-pz6fbza2xhwj27vy4eojb4hqoqz2hcwl from binary cache ==> adios2: Successfully installed adios2-2.10.2-pz6fbza2xhwj27vy4eojb4hqoqz2hcwl Search: 0.00s. Fetch: 0.82s. Install: 0.36s. Extract: 0.18s. Relocate: 0.04s. Total: 1.18s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/adios2-2.10.2-pz6fbza2xhwj27vy4eojb4hqoqz2hcwl ==> Installing adios2-2.10.2-pz6fbza2xhwj27vy4eojb4hqoqz2hcwl /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /tydlxo5256cvi2lqdz2puu2xx7irzeg5 # spla@1.6.1~cuda+fortran~ipo~rocm~static build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/0d/0dcfb60571419a7396b826a0cc8cc243a3aa8af8a57543410005f6d5fa39c2fc ==> Extracting spla-1.6.1-tydlxo5256cvi2lqdz2puu2xx7irzeg5 from binary cache ==> spla: Successfully installed spla-1.6.1-tydlxo5256cvi2lqdz2puu2xx7irzeg5 Search: 0.00s. Fetch: 0.58s. Install: 0.19s. Extract: 0.02s. Relocate: 0.03s. Total: 0.78s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/spla-1.6.1-tydlxo5256cvi2lqdz2puu2xx7irzeg5 ==> Installing spla-1.6.1-tydlxo5256cvi2lqdz2puu2xx7irzeg5 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /ktlhbb22xvmltmstjqpcky5ufn3kltab # superlu-dist@7.2.0~cuda~int64~ipo+openmp+parmetis~rocm+shared build_system=cmake build_type=Release generator=make patches:=8da9e21 platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/8b/8ba1390f020816a79c75b18243ebb9db6a52bb90d6bf1423be97ef61358db6c3 ==> Extracting superlu-dist-7.2.0-ktlhbb22xvmltmstjqpcky5ufn3kltab from binary cache ==> superlu-dist: Successfully installed superlu-dist-7.2.0-ktlhbb22xvmltmstjqpcky5ufn3kltab Search: 0.00s. Fetch: 0.69s. Install: 0.19s. Extract: 0.07s. Relocate: 0.10s. Total: 0.88s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/superlu-dist-7.2.0-ktlhbb22xvmltmstjqpcky5ufn3kltab ==> Installing superlu-dist-7.2.0-ktlhbb22xvmltmstjqpcky5ufn3kltab ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /or4xdvdwmwz7olt6m2dtbf2pdq6ld7a5 # dla-future@0.10.0~cuda~doc~hdf5~ipo~miniapps~mpi_gpu_aware~rocm+scalapack+shared build_system=cmake build_type=Release generator=ninja platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/c6/c61f659c9765c4a4f98757d6493aeb71a165922950e7b81d6d40201e37a1c486 ==> Extracting dla-future-0.10.0-or4xdvdwmwz7olt6m2dtbf2pdq6ld7a5 from binary cache ==> dla-future: Successfully installed dla-future-0.10.0-or4xdvdwmwz7olt6m2dtbf2pdq6ld7a5 Search: 0.00s. Fetch: 0.70s. Install: 0.45s. Extract: 0.28s. Relocate: 0.14s. Total: 1.15s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/dla-future-0.10.0-or4xdvdwmwz7olt6m2dtbf2pdq6ld7a5 ==> Installing dla-future-0.10.0-or4xdvdwmwz7olt6m2dtbf2pdq6ld7a5 ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /6ekltpgblb47n7hmfv6gh46eg4kdeexk # py-urllib3@2.5.0~brotli~socks build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/b6/b6f98e7c8cebf39a81f367fee0cef02b88f3e91ee7d1078bfd1f07e14834b9ac ==> Extracting py-urllib3-2.5.0-6ekltpgblb47n7hmfv6gh46eg4kdeexk from binary cache ==> py-urllib3: Successfully installed py-urllib3-2.5.0-6ekltpgblb47n7hmfv6gh46eg4kdeexk Search: 0.00s. Fetch: 0.65s. Install: 0.28s. Extract: 0.03s. Relocate: 0.00s. Total: 0.93s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-urllib3-2.5.0-6ekltpgblb47n7hmfv6gh46eg4kdeexk ==> Installing py-urllib3-2.5.0-6ekltpgblb47n7hmfv6gh46eg4kdeexk /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /56tt3b7rz6w3tpk4sgry2d6k2oxeompi # spfft@1.1.1~cuda~fortran~gpu_direct~ipo+mpi+openmp~rocm~single_precision~static build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/44/44fd99f5bc9c7bb3906bac3a068c2e03b587e83a248a5d28c2762cc1e0192f40 ==> Extracting spfft-1.1.1-56tt3b7rz6w3tpk4sgry2d6k2oxeompi from binary cache ==> spfft: Successfully installed spfft-1.1.1-56tt3b7rz6w3tpk4sgry2d6k2oxeompi Search: 0.00s. Fetch: 0.61s. Install: 0.35s. Extract: 0.02s. Relocate: 0.04s. Total: 0.96s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/spfft-1.1.1-56tt3b7rz6w3tpk4sgry2d6k2oxeompi ==> Installing spfft-1.1.1-56tt3b7rz6w3tpk4sgry2d6k2oxeompi ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /e7zjxr24teiiwbasnwho3nnwlnvoeaum # gcc@15.2.0~binutils+bootstrap~graphite~mold~nvptx~piclibs~profiled~strip build_system=autotools build_type=Release languages:='c,c++,fortran' platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/48/4881dbc8607e30daf87d815e061fbc44b75609242d48978c3f7bc7856c2ebbbc ==> Extracting gcc-15.2.0-e7zjxr24teiiwbasnwho3nnwlnvoeaum from binary cache ==> Wrote new spec file to /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/gcc-15.2.0-e7zjxr24teiiwbasnwho3nnwlnvoeaum/lib/gcc/x86_64-pc-linux-gnu/15.2.0/specs ==> gcc: Successfully installed gcc-15.2.0-e7zjxr24teiiwbasnwho3nnwlnvoeaum Search: 0.00s. Fetch: 2.76s. Install: 2.98s. Extract: 2.82s. Relocate: 0.12s. Total: 5.75s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/gcc-15.2.0-e7zjxr24teiiwbasnwho3nnwlnvoeaum ==> Installing gcc-15.2.0-e7zjxr24teiiwbasnwho3nnwlnvoeaum /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /jpvrjyb3oexr6li22ipcoxd5coa3cvaq # costa@2.2.4~apps~benchmarks~ipo~profiling+scalapack+shared~tests build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/2b/2b998ecbf78dc5a157bd89073589d927c88441d33f728451bba4d7d651b9b7fd ==> Extracting costa-2.2.4-jpvrjyb3oexr6li22ipcoxd5coa3cvaq from binary cache ==> costa: Successfully installed costa-2.2.4-jpvrjyb3oexr6li22ipcoxd5coa3cvaq Search: 0.00s. Fetch: 0.65s. Install: 0.99s. Extract: 0.02s. Relocate: 0.04s. Total: 1.64s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/costa-2.2.4-jpvrjyb3oexr6li22ipcoxd5coa3cvaq ==> Installing costa-2.2.4-jpvrjyb3oexr6li22ipcoxd5coa3cvaq /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /xyy5tv4qrddapsoenkdo577a3ydm6veb # openpmd-api@0.16.1+adios2+hdf5~ipo+mpi~python+shared build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/a1/a1de37318436a4cf7bcaae70e764827261a16f3af133b2fac1684a756ed6b330 ==> Extracting openpmd-api-0.16.1-xyy5tv4qrddapsoenkdo577a3ydm6veb from binary cache ==> openpmd-api: Successfully installed openpmd-api-0.16.1-xyy5tv4qrddapsoenkdo577a3ydm6veb Search: 0.00s. Fetch: 0.64s. Install: 0.15s. Extract: 0.06s. Relocate: 0.05s. Total: 0.80s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/openpmd-api-0.16.1-xyy5tv4qrddapsoenkdo577a3ydm6veb ==> Installing openpmd-api-0.16.1-xyy5tv4qrddapsoenkdo577a3ydm6veb /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /vflwbcwoi2u6jqabdwp2xvbnvag4imlh # py-scikit-build-core@0.11.5~pyproject build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/6d/6d7867f2be0f6504c8200ee9dc7e6bd7cdf28911d4818453f2f7c4e0e5ccaedc ==> Extracting py-scikit-build-core-0.11.5-vflwbcwoi2u6jqabdwp2xvbnvag4imlh from binary cache ==> py-scikit-build-core: Successfully installed py-scikit-build-core-0.11.5-vflwbcwoi2u6jqabdwp2xvbnvag4imlh Search: 0.00s. Fetch: 0.64s. Install: 0.09s. Extract: 0.05s. Relocate: 0.00s. Total: 0.73s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-scikit-build-core-0.11.5-vflwbcwoi2u6jqabdwp2xvbnvag4imlh ==> Installing py-scikit-build-core-0.11.5-vflwbcwoi2u6jqabdwp2xvbnvag4imlh ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /5bsovemyq3knymxti5skgfv3bthoipo7 # libvdwxc@0.4.0+mpi~pfft build_system=autotools patches:=efe99ea platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/22/223683fcd63d1621f92a911fe9268564661253d8ef840c3d57647ea4b1ceeef2 ==> Extracting libvdwxc-0.4.0-5bsovemyq3knymxti5skgfv3bthoipo7 from binary cache ==> libvdwxc: Successfully installed libvdwxc-0.4.0-5bsovemyq3knymxti5skgfv3bthoipo7 Search: 0.00s. Fetch: 0.63s. Install: 0.64s. Extract: 0.05s. Relocate: 0.04s. Total: 1.27s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/libvdwxc-0.4.0-5bsovemyq3knymxti5skgfv3bthoipo7 ==> Installing libvdwxc-0.4.0-5bsovemyq3knymxti5skgfv3bthoipo7 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /6hz5tlv3cllf2wfzpbhbsky7kx7wxx3o # elpa@2025.06.001~autotune~cuda+mpi+openmp~rocm build_system=autotools platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/58/58f4704dad664652bd242d786b18896c9dee3930aac3df2fea08a77b478761a6 ==> Extracting elpa-2025.06.001-6hz5tlv3cllf2wfzpbhbsky7kx7wxx3o from binary cache ==> elpa: Successfully installed elpa-2025.06.001-6hz5tlv3cllf2wfzpbhbsky7kx7wxx3o Search: 0.00s. Fetch: 0.74s. Install: 0.63s. Extract: 0.19s. Relocate: 0.34s. Total: 1.37s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/elpa-2025.06.001-6hz5tlv3cllf2wfzpbhbsky7kx7wxx3o ==> Installing elpa-2025.06.001-6hz5tlv3cllf2wfzpbhbsky7kx7wxx3o ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /ctpo5s27msn4r7p7dfwwfetea73dx36j # py-fsspec@2025.9.0~http build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/e8/e8f6d061b2293f2937d7a4bc6640c7e0abe940420fd7c65b3bf7a997ee8b2fdb ==> Extracting py-fsspec-2025.9.0-ctpo5s27msn4r7p7dfwwfetea73dx36j from binary cache ==> py-fsspec: Successfully installed py-fsspec-2025.9.0-ctpo5s27msn4r7p7dfwwfetea73dx36j Search: 0.00s. Fetch: 0.64s. Install: 1.50s. Extract: 0.04s. Relocate: 0.00s. Total: 2.14s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-fsspec-2025.9.0-ctpo5s27msn4r7p7dfwwfetea73dx36j ==> Installing py-fsspec-2025.9.0-ctpo5s27msn4r7p7dfwwfetea73dx36j /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /basc77cygvldu7frpa2sinjr25l4pwhm # trexio@2.5.0+hdf5~ipo build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/1e/1e7fa44d66e92ca064b8140b5d002017f3f6194ca47b8249969926b83c18ed46 ==> Extracting trexio-2.5.0-basc77cygvldu7frpa2sinjr25l4pwhm from binary cache ==> trexio: Successfully installed trexio-2.5.0-basc77cygvldu7frpa2sinjr25l4pwhm Search: 0.00s. Fetch: 0.61s. Install: 0.28s. Extract: 0.01s. Relocate: 0.03s. Total: 0.89s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/trexio-2.5.0-basc77cygvldu7frpa2sinjr25l4pwhm ==> Installing trexio-2.5.0-basc77cygvldu7frpa2sinjr25l4pwhm /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /ag7324p75hsf57vgieandlbfvsffydv2 # pexsi@2.0.0+fortran~ipo+pic build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/4e/4ee87edc844169302f2b7df8b57af897671663a9cd9299f32ac4502818c5cc78 ==> Extracting pexsi-2.0.0-ag7324p75hsf57vgieandlbfvsffydv2 from binary cache ==> pexsi: Successfully installed pexsi-2.0.0-ag7324p75hsf57vgieandlbfvsffydv2 Search: 0.00s. Fetch: 0.67s. Install: 0.27s. Extract: 0.05s. Relocate: 0.04s. Total: 0.95s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/pexsi-2.0.0-ag7324p75hsf57vgieandlbfvsffydv2 ==> Installing pexsi-2.0.0-ag7324p75hsf57vgieandlbfvsffydv2 ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /ormwfmvyhnbwtlhgikqi3mjkvhndzb7z # dla-future-fortran@0.5.0~ipo+shared~test build_system=cmake build_type=Release generator=ninja platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/2c/2c5dbf46decefb886cc3f4265db2cccddebb2b82c77bf81883bb302b9f72056a ==> Extracting dla-future-fortran-0.5.0-ormwfmvyhnbwtlhgikqi3mjkvhndzb7z from binary cache ==> dla-future-fortran: Successfully installed dla-future-fortran-0.5.0-ormwfmvyhnbwtlhgikqi3mjkvhndzb7z Search: 0.00s. Fetch: 0.59s. Install: 0.08s. Extract: 0.01s. Relocate: 0.04s. Total: 0.67s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/dla-future-fortran-0.5.0-ormwfmvyhnbwtlhgikqi3mjkvhndzb7z ==> Installing dla-future-fortran-0.5.0-ormwfmvyhnbwtlhgikqi3mjkvhndzb7z ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /wbjyu6opokniqxmt5clu3ejipqxeust6 # libsmeagol@1.2 build_system=makefile commit=fefed1bb4fceca584c3014debb169e8ed4ce1289 platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/a2/a2d6f7fd5e3d2b06130f168b4c630214fce5ad6d922d3987b3b32f01b4024516 ==> Extracting libsmeagol-1.2-wbjyu6opokniqxmt5clu3ejipqxeust6 from binary cache ==> libsmeagol: Successfully installed libsmeagol-1.2-wbjyu6opokniqxmt5clu3ejipqxeust6 Search: 0.00s. Fetch: 0.66s. Install: 1.02s. Extract: 0.14s. Relocate: 0.03s. Total: 1.69s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/libsmeagol-1.2-wbjyu6opokniqxmt5clu3ejipqxeust6 ==> Installing libsmeagol-1.2-wbjyu6opokniqxmt5clu3ejipqxeust6 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /3l6wruq4fch3abkevv4prcatolvltgxe # py-filelock@3.19.1 build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/2b/2bf29a1666a5a06e23d7772499f2b4b116113f3ef213d41a005f92ebda5165f0 ==> Extracting py-filelock-3.19.1-3l6wruq4fch3abkevv4prcatolvltgxe from binary cache ==> py-filelock: Successfully installed py-filelock-3.19.1-3l6wruq4fch3abkevv4prcatolvltgxe Search: 0.00s. Fetch: 0.59s. Install: 0.27s. Extract: 0.01s. Relocate: 0.00s. Total: 0.87s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-filelock-3.19.1-3l6wruq4fch3abkevv4prcatolvltgxe ==> Installing py-filelock-3.19.1-3l6wruq4fch3abkevv4prcatolvltgxe /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /wxiienooo7txk2i7khr6bgoggu3wi3kg # cosma@2.7.0~apps~cuda~gpu_direct~ipo~profiling~rocm+scalapack+shared~tests build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/cf/cf71b2039773d3fb274afde574861bbc7abfe1ef5f28e8102b494b5fe921f4c9 ==> Extracting cosma-2.7.0-wxiienooo7txk2i7khr6bgoggu3wi3kg from binary cache ==> cosma: Successfully installed cosma-2.7.0-wxiienooo7txk2i7khr6bgoggu3wi3kg Search: 0.00s. Fetch: 0.66s. Install: 0.09s. Extract: 0.02s. Relocate: 0.04s. Total: 0.76s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/cosma-2.7.0-wxiienooo7txk2i7khr6bgoggu3wi3kg ==> Installing cosma-2.7.0-wxiienooo7txk2i7khr6bgoggu3wi3kg /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /tvobavhoiogb3mh5liitthryyskxy2zj # py-pybind11@3.0.1+ipo build_system=cmake build_type=Release generator=ninja platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/fd/fd960ccb1724fc3f917d9d955453cfb0bbccdc708d1b448df6fe29da69806e37 ==> Extracting py-pybind11-3.0.1-tvobavhoiogb3mh5liitthryyskxy2zj from binary cache ==> py-pybind11: Successfully installed py-pybind11-3.0.1-tvobavhoiogb3mh5liitthryyskxy2zj Search: 0.00s. Fetch: 0.65s. Install: 0.08s. Extract: 0.05s. Relocate: 0.00s. Total: 0.74s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-pybind11-3.0.1-tvobavhoiogb3mh5liitthryyskxy2zj ==> Installing py-pybind11-3.0.1-tvobavhoiogb3mh5liitthryyskxy2zj /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /6emkyr7lfbahlgwvtmqb7hq6ppodbwen # py-requests@2.32.5~socks build_system=python_pip platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/f2/f28235bea0651795784ec6231f45b428bf3983ab67f3698e0542997be2d33d75 ==> Extracting py-requests-2.32.5-6emkyr7lfbahlgwvtmqb7hq6ppodbwen from binary cache ==> py-requests: Successfully installed py-requests-2.32.5-6emkyr7lfbahlgwvtmqb7hq6ppodbwen Search: 0.00s. Fetch: 0.69s. Install: 0.05s. Extract: 0.02s. Relocate: 0.00s. Total: 0.75s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-requests-2.32.5-6emkyr7lfbahlgwvtmqb7hq6ppodbwen ==> Installing py-requests-2.32.5-6emkyr7lfbahlgwvtmqb7hq6ppodbwen ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /xgmv3hgibsixpv77phcddssex34dg5q6 # sirius@7.9.0~apps~cuda~dftd3~dftd4~dlaf~elpa+fortran~ipo~magma+memory_pool~nlcglib~nvtx+openmp+profiler+pugixml~python~rocm~scalapack+shared~single_precision~tests~vcsqnm+vdwxc~wannier90 build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/cc/cceb6b7780a3594a6f9b429b0ae63f8b83163f435845ef459b86557527718f5c ==> Extracting sirius-7.9.0-xgmv3hgibsixpv77phcddssex34dg5q6 from binary cache ==> sirius: Successfully installed sirius-7.9.0-xgmv3hgibsixpv77phcddssex34dg5q6 Search: 0.00s. Fetch: 0.80s. Install: 0.26s. Extract: 0.12s. Relocate: 0.01s. Total: 1.06s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/sirius-7.9.0-xgmv3hgibsixpv77phcddssex34dg5q6 ==> Installing sirius-7.9.0-xgmv3hgibsixpv77phcddssex34dg5q6 /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /gt65n7leguzukoy6ytycot3mmk4652ou # py-torch@2.9.0~caffe2~cuda~custom-protobuf~debug~distributed+fbgemm~kineto~metal~mkldnn+nnpack+numa+numpy+openmp+qnnpack~rocm~test~valgrind+xnnpack build_system=python_pip commit=0fabc3ba44823f257e70ce397d989c8de5e362c1 patches:=f4cd8de platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/a6/a6175d71e94a9d7303af8d6f4f07fd67f7959827c2a8d1cf4fac840932aa4de1 ==> Extracting py-torch-2.9.0-gt65n7leguzukoy6ytycot3mmk4652ou from binary cache ==> py-torch: Successfully installed py-torch-2.9.0-gt65n7leguzukoy6ytycot3mmk4652ou Search: 0.00s. Fetch: 2.13s. Install: 4.15s. Extract: 4.08s. Relocate: 0.03s. Total: 6.28s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/py-torch-2.9.0-gt65n7leguzukoy6ytycot3mmk4652ou ==> Installing py-torch-2.9.0-gt65n7leguzukoy6ytycot3mmk4652ou ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view /opt/cp2k/spack/spack-1.1.0/bin/spack -c config:install_status:false -e '/opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env' install --only-concrete --only=package /sob2qqkg4sjbdzczod36uibsemiq63a2 # deepmdkit@3.1.2~build_testing+dp_using_c_api~ipo~jax~native_optimization+pytorch~tensorflow build_system=cmake build_type=Release generator=make platform=linux os=ubuntu24.04 target=zen2 ==> Fetching gs://cp2k-spack-cache/blobs/sha256/2c/2c8a6d159f453f5f08c84b1a574bfa2602411cf9ddece077bdb520c108c42f38 ==> Extracting deepmdkit-3.1.2-sob2qqkg4sjbdzczod36uibsemiq63a2 from binary cache ==> deepmdkit: Successfully installed deepmdkit-3.1.2-sob2qqkg4sjbdzczod36uibsemiq63a2 Search: 0.00s. Fetch: 0.81s. Install: 0.08s. Extract: 0.03s. Relocate: 0.01s. Total: 0.90s [+] /opt/cp2k/spack/spack-1.1.0/opt/spack/[padded-to-128-chars]/linux-zen2/deepmdkit-3.1.2-sob2qqkg4sjbdzczod36uibsemiq63a2 ==> Installing deepmdkit-3.1.2-sob2qqkg4sjbdzczod36uibsemiq63a2 ==> Updating view at /opt/cp2k/spack/spack-1.1.0/opt/spack/view ==> Added 1 new compiler to /opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env/spack.yaml gcc@15.2.0 ==> Compilers are defined in the following files: /opt/cp2k/spack/spack-1.1.0/etc/spack/packages.yaml /opt/cp2k/spack/spack-1.1.0/var/spack/environments/cp2k_env/spack.yaml *** Installation of CP2K dependencies completed *** ---> Removed intermediate container c55bb6b803cf ---> cd959a4f1b81 Step 9/21 : RUN /bin/bash -o pipefail -c "source ./make_cp2k.sh -cv psmp -gv 15 -mpi mpich" ---> Running in d0b760da388d make_cp2k.sh: Running script in sourcing mode make_cp2k.sh: All changes from this script will become effective within the current shell INFO: Using bash version 5.2.21(1)-release BUILD_DEPS = if_needed BUILD_DEPS_ONLY = no CMAKE_BUILD_TYPE = Release CP2K_VERSION = psmp DISABLE_LOCAL_CACHE = no GCC_VERSION = 15 INSTALL_PREFIX = /opt/cp2k/install INSTALL_MESSAGE = NEVER IN_CONTAINER = yes MPI_MODE = mpich NUM_PROCS = 32 (processes) RUN_TEST = no USE_EXTERNALS = no VERBOSE_FLAG = --quiet VERBOSE_MAKEFILE = OFF VERBOSE = 0 cp2k_env remote: Enumerating objects: 19701, done. remote: Counting objects: 0% (1/19701) remote: Counting objects: 1% (198/19701) remote: Counting objects: 2% (395/19701) remote: Counting objects: 3% (592/19701) remote: Counting objects: 4% (789/19701) remote: Counting objects: 5% (986/19701) remote: Counting objects: 6% (1183/19701) remote: Counting objects: 7% (1380/19701) remote: Counting objects: 8% (1577/19701) remote: Counting objects: 9% (1774/19701) remote: Counting objects: 10% (1971/19701) remote: Counting objects: 11% (2168/19701) remote: Counting objects: 12% (2365/19701) remote: Counting objects: 13% (2562/19701) remote: Counting objects: 14% (2759/19701) remote: Counting objects: 15% (2956/19701) remote: Counting objects: 16% (3153/19701) remote: Counting objects: 17% (3350/19701) remote: Counting objects: 18% (3547/19701) remote: Counting objects: 19% (3744/19701) remote: Counting objects: 20% (3941/19701) remote: Counting objects: 21% (4138/19701) remote: Counting objects: 22% (4335/19701) remote: Counting objects: 23% (4532/19701) remote: Counting objects: 24% (4729/19701) remote: Counting objects: 25% (4926/19701) remote: Counting objects: 26% (5123/19701) remote: Counting objects: 27% (5320/19701) remote: Counting objects: 28% (5517/19701) remote: Counting objects: 29% (5714/19701) remote: Counting objects: 30% (5911/19701) remote: Counting objects: 31% (6108/19701) remote: Counting objects: 32% (6305/19701) remote: Counting objects: 33% (6502/19701) remote: Counting objects: 34% (6699/19701) remote: Counting objects: 35% (6896/19701) remote: Counting objects: 36% (7093/19701) remote: Counting objects: 37% (7290/19701) remote: 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Compressing objects: 91% (9603/10552) remote: Compressing objects: 92% (9708/10552) remote: Compressing objects: 93% (9814/10552) remote: Compressing objects: 94% (9919/10552) remote: Compressing objects: 95% (10025/10552) remote: Compressing objects: 96% (10130/10552) remote: Compressing objects: 97% (10236/10552) remote: Compressing objects: 98% (10341/10552) remote: Compressing objects: 99% (10447/10552) remote: Compressing objects: 100% (10552/10552) remote: Compressing objects: 100% (10552/10552), done. remote: Total 19701 (delta 1338), reused 13775 (delta 1225), pack-reused 0 (from 0) ==> In environment cp2k_env Re-run cmake no build system arguments -- The Fortran compiler identification is GNU 15.2.0 -- The C compiler identification is GNU 15.2.0 -- The CXX compiler identification is GNU 15.2.0 -- Detecting Fortran compiler ABI info -- Detecting Fortran compiler ABI info - done -- Check for working Fortran compiler: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/bin/gfortran - skipped -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/bin/gcc - 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: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/bin/g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Found PkgConfig: /usr/bin/pkg-config (found version "1.8.1") -- Found Python: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/bin/python3 (found version "3.12.3") found components: Interpreter -- Found MPI_C: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libmpi.so (found version "4.1") -- Found MPI_CXX: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libmpicxx.so (found version "4.1") -- Found MPI_Fortran: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libmpifort.so (found version "4.1") -- Found MPI: TRUE (found version "4.1") found components: C CXX Fortran -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success -- Found Threads: TRUE -- Found MPI: TRUE (found version "4.1") found components: CXX C Fortran -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_Fortran: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") found components: CXX C Fortran -- Could NOT find MKL (missing: CP2K_MKL_INCLUDE_DIRS) -- Checking for module 'openblas' -- Found openblas, version 0.3.30 -- Found OpenBLAS: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/include -- Found Blas: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/openblas-0.3.30-olyyn23bu2qdayzdpcvkzlllmp5hfdoc/lib/libopenblas.so -- Found Lapack: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/openblas-0.3.30-olyyn23bu2qdayzdpcvkzlllmp5hfdoc/lib/libopenblas.so -- Checking for module 'libxsmm-shared' -- Found libxsmm-shared, version 1.17.0 -- Checking for module 'libxsmmf-shared' -- Found libxsmmf-shared, version 1.17.0 -- Checking for module 'libxsmmext-shared' -- Found libxsmmext-shared, version 1.17.0 -- Checking for module 'libxsmmnoblas-shared' -- Found libxsmmnoblas-shared, version 1.17.0 -- Found LibXSMM: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/libxsmm-1.17-cp2k-sxtfsampb5c7wuvnnod3itexgcocs4kz/include -- Using LIBXSMM for Small Matrix Multiplication -- Checking for module 'scalapack' -- Package 'mpi', required by 'scalapack', not found Package 'lapack', required by 'scalapack', not found Package 'blas', required by 'scalapack', not found -- Found SCALAPACK: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libscalapack.so ------------------------------------------------------------ - OPENMP - ------------------------------------------------------------ -- Found OpenMP_Fortran: -fopenmp (found version "4.5") -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") found components: Fortran C CXX ------------------------------------------------------------ - DBCSR - ------------------------------------------------------------ -- Found MPI: TRUE (found version "4.1") -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP_Fortran: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- Checking for module 'libxsmmf' -- Found libxsmmf, version 1.17.0 -- Checking for module 'libxsmmext' -- Found libxsmmext, version 1.17.0 ------------------------------------------------------------ - Other dependencies - ------------------------------------------------------------ -- Checking for one of the modules 'elpa_openmp' -- Found Elpa: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/elpa-2025.06.001-6hz5tlv3cllf2wfzpbhbsky7kx7wxx3o/lib/libelpa_openmp.so;/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libscalapack.so -- Found HDF5: hdf5-shared;hdf5_fortran-shared (found version "1.14.6") found components: C Fortran -- Found MPI: TRUE (found version "4.1") found components: CXX -- Found OPENBLAS: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libopenblas.so -- Found Blas: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libopenblas.so -- Found LibVORI: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libvori.a -- Checking for one of the modules 'fftw3' -- Checking for one of the modules 'fftw3f' -- Checking for one of the modules 'fftw3l' -- Checking for one of the modules 'fftw3q' -- Found Fftw: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/fftw-3.3.10-4cm5crjzoymjdidfuwdaqqj4hyhnkef5/include -- Checking for module 'libint2' -- Found libint2, version 2.11.1 -- Found Libint2: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/libint-2.11.1-s3pno726rppu5cutydegqt357sqngfrg/include;/opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/libint-2.11.1-s3pno726rppu5cutydegqt357sqngfrg/include/libint2 -- Component omp of Spglib: NOT FOUND -- Component fortran of Spglib: FOUND (LIB_TYPE: shared) -- Found package: Spglib -- Found libsmeagol: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libsmeagol.a -- mctc-lib: Find installed package -- multicharge: Find installed package -- Performing Test LAPACK_LOWER_UNDERSCORE -- Performing Test LAPACK_LOWER_UNDERSCORE -- found -- Found LAPACK: TRUE -- Performing Test BLAS_LOWER_UNDERSCORE -- Performing Test BLAS_LOWER_UNDERSCORE -- found -- Found BLAS: TRUE -- Found METIS: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/metis-5.1.0-4pqao73i547wcs4zzschdu2sehae3id6/lib/libmetis.so -- Found ParMETIS: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/parmetis-4.0.3-jpypiw6wd2kc5k6rw7fmpdduc4hiig7i/lib/libparmetis.so;METIS::METIS;MPI::MPI_C -- Found SuperLU_DIST: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/superlu-dist-7.2.0-ktlhbb22xvmltmstjqpcky5ufn3kltab/lib/libsuperlu_dist.so;BLAS::BLAS;ParMETIS::ParMETIS -- Found ACE: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libpace.a -- Checking for one of the modules 'plumed;plumedInternals' -- Found Plumed: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/plumed-2.9.2-lrw4fckf7crrme5yu7gzsoqzecxkpmlt/include -- Found ZLIB: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libz.so (found version "1.3.1") -- Caffe2: Found protobuf with new-style protobuf targets. -- Caffe2: Protobuf version 3.13.0.0 -- Found Torch: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/py-torch-2.9.0-gt65n7leguzukoy6ytycot3mmk4652ou/lib/python3.12/site-packages/torch/lib/libtorch.so -- Checking for modules 'mclf;mcl' -- Package 'mclf', required by 'virtual:world', not found -- Package 'mcl', required by 'virtual:world', not found -- Found MiMiC: True -- Found HDF5: hdf5-shared (found version "1.14.6") -- Found ADIOS2: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/cmake/adios2/adios2-config.cmake (found version "2.10.2") found components: CXX MPI -- Checking for module 'trexio' -- Package 'trexio', required by 'virtual:world', not found -- Found TrexIO: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/include -- Found BLAS: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/openblas-0.3.30-olyyn23bu2qdayzdpcvkzlllmp5hfdoc/lib/libopenblas.so -- Found LAPACK: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/openblas-0.3.30-olyyn23bu2qdayzdpcvkzlllmp5hfdoc/lib/libopenblas.so -- Checking for module 'gmpxx' -- Found gmpxx, version 6.3.0 -- Checking for module 'gmp' -- Found gmp, version 6.3.0 -- Found GMPXX: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/include -- Performing Test f2008-norm2 -- Performing Test f2008-norm2 - Success -- Performing Test f2008-block_construct -- Performing Test f2008-block_construct - Success -- Performing Test f2008-contiguous -- Performing Test f2008-contiguous - Success -- Performing Test f95-reshape-order-allocatable -- Performing Test f95-reshape-order-allocatable - Success -- FYPP preprocessor found. -------------------------------------------------------------------- - - - Summary of enabled dependencies - - - -------------------------------------------------------------------- - BLAS - vendor: OpenBLAS - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/include - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/openblas-0.3.30-olyyn23bu2qdayzdpcvkzlllmp5hfdoc/lib/libopenblas.so - LAPACK - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/include - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/openblas-0.3.30-olyyn23bu2qdayzdpcvkzlllmp5hfdoc/lib/libopenblas.so - MPI - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/mpich-4.3.2-v7bxhdlux2355pwzevfozbdmhqhyicsn/include;/opt/cp2k/spack/spack-1.1.0/opt/spack/view/include - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libmpicxx.so;/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libmpi.so - MPI_F08: ON - ScaLAPACK - vendor: auto - include directories: - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libscalapack.so - LibXC - version: 7.0.0 - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/include/ - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libxcf03.so.15;/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libxc.so.15 - Spglib - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/include - LibTorch - extra CXX flags: - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/py-torch-2.9.0-gt65n7leguzukoy6ytycot3mmk4652ou/lib/python3.12/site-packages/torch/include;/opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/py-torch-2.9.0-gt65n7leguzukoy6ytycot3mmk4652ou/lib/python3.12/site-packages/torch/include/torch/csrc/api/include - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/py-torch-2.9.0-gt65n7leguzukoy6ytycot3mmk4652ou/lib/python3.12/site-packages/torch/lib/libtorch.so - HDF5 - version: 1.14.6 - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/include - libraries: hdf5-shared - openPMD - libraries : /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/cmake/openPMD - FFTW3 - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/fftw-3.3.10-4cm5crjzoymjdidfuwdaqqj4hyhnkef5/include - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/fftw-3.3.10-4cm5crjzoymjdidfuwdaqqj4hyhnkef5/lib/libfftw3.so - PLUMED - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/plumed-2.9.2-lrw4fckf7crrme5yu7gzsoqzecxkpmlt/include - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/plumed-2.9.2-lrw4fckf7crrme5yu7gzsoqzecxkpmlt/lib/libplumed.so - LIBXSMM - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/libxsmm-1.17-cp2k-sxtfsampb5c7wuvnnod3itexgcocs4kz/include - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/libxsmm-1.17-cp2k-sxtfsampb5c7wuvnnod3itexgcocs4kz/lib/libxsmmext.so;:libxsmm.a;/usr/lib/x86_64-linux-gnu/libpthread.a;/usr/lib/x86_64-linux-gnu/librt.a;/usr/lib/x86_64-linux-gnu/libdl.a;/usr/lib/x86_64-linux-gnu/libm.so;/usr/lib/x86_64-linux-gnu/libc.so;/opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/libxsmm-1.17-cp2k-sxtfsampb5c7wuvnnod3itexgcocs4kz/lib/libxsmmf.so;:libxsmmext.a;:libxsmm.a;/usr/lib/x86_64-linux-gnu/libpthread.a;/usr/lib/x86_64-linux-gnu/librt.a;/usr/lib/x86_64-linux-gnu/libdl.a;/usr/lib/x86_64-linux-gnu/libm.so;/usr/lib/x86_64-linux-gnu/libc.so - SpLA - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/include;/opt/cp2k/spack/spack-1.1.0/opt/spack/view/include/spla - libraries: MPI::MPI_CXX;MPI::MPI_C;MPI::MPI_Fortran - MiMiC - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/include/MiMiC/ - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/MiMiC/libmclf.so;/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/MiMiC/libmcl.so - DFTD4 - include directories : /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/dftd4-3.7.0-vdqpqqh3dwbgrt4ansmgvp34gmvn3na3/include;/opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/dftd4-3.7.0-vdqpqqh3dwbgrt4ansmgvp34gmvn3na3/include/dftd4/GNU-13.3.0 - libraries : - DeePMD - PEXSI - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/include - libraries: MPI::MPI_C;MPI::MPI_CXX;MPI::MPI_Fortran;SuperLU::SuperLU_DIST;LAPACK::LAPACK - ACE - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/include - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libpace.a;/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libyaml-cpp.so;/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libcnpy.so;/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libyaml-cpp.so;/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libcnpy.so - LibSMEAGOL - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/include - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libsmeagol.a - TBLITE : - include directories : /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/tblite-0.5.0-tnpl2b7qjjybyac5cxqam4ybcqb5oomq/include;/opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/tblite-0.5.0-tnpl2b7qjjybyac5cxqam4ybcqb5oomq/include/tblite/GNU-13.3.0 - tblite libraries : - SIRIUS - include directories: - libraries: - COSMA - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/include - libraries: MPI::MPI_CXX;costa::costa;$;$;cosma::BLAS::blas;cosma::scalapack::scalapack - Libint2 - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/libint-2.11.1-s3pno726rppu5cutydegqt357sqngfrg/include;/opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/libint-2.11.1-s3pno726rppu5cutydegqt357sqngfrg/include/libint2 - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/libint-2.11.1-s3pno726rppu5cutydegqt357sqngfrg/lib/libint2.so - Libvori - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libvori.a - ELPA - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/elpa-2025.06.001-6hz5tlv3cllf2wfzpbhbsky7kx7wxx3o/include/elpa_openmp-2025.06.001 - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/elpa-2025.06.001-6hz5tlv3cllf2wfzpbhbsky7kx7wxx3o/lib/libelpa_openmp.so;/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libscalapack.so - TREXIO - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/include - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libtrexio.so - GreenX - include directories: /opt/cp2k/spack/spack-1.1.0/opt/spack/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_p/linux-zen2/greenx-2.2-4rzpt6f6upnvtqecr7m23w7y3jueauka/include/greenX/GNU-13.3.0/common/modules - libraries: /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libGXCommon.so.0.0.1;/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libgx_minimax.so.0.0.1;/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/libgx_ac.so.0.0.1 -------------------------------------------------------------------- - - - List of dependencies not included in this build - - - -------------------------------------------------------------------- - GPU acceleration is disabled - DLA-Future After building CP2K the regtests can be run with the following command: ./tests/do_regtest.py /opt/cp2k/build/bin psmp -- Configuring done (6.4s) -- Generating done (0.3s) -- Build files have been written to: /opt/cp2k/build *** Compiling CP2K *** Change Dir: '/opt/cp2k/build' Run Build Command(s): /usr/bin/ninja -v -j 32 --quiet /opt/cp2k/spack/spack-1.1.0/opt/spack/view/include/libint2/config.h:312:0: 312 | #ifndef LIBINT_MAYBE_UNUSED // fallback Warning: extra tokens at end of '#ifndef' directive /opt/cp2k/src/mpiwrap/message_passing.F:67:8: 67 | USE mpi_f08 | 1 Warning: USE statement at (1) has no ONLY qualifier [-Wuse-without-only] /opt/cp2k/src/mpiwrap/message_passing.fypp:4740:27-27: 4740 | CALL MPI_Get_address(ptr, type_descriptor%base, ierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/COMPLEX(4)). /opt/cp2k/src/rpa_im_time_force_types.F:171:34: 171 | END MODULE rpa_im_time_force_types | ^ note: variable tracking size limit exceeded with '-fvar-tracking-assignments', retrying without *** Installing CP2K *** -- Install configuration: "Release" LD_LIBRARY_PATH = "/opt/cp2k/install/lib:/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib64:/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib:/opt/cp2k/spack/venv/lib64:/opt/cp2k/spack/venv/lib" *** Some libraries referenced by the CP2K binary are NOT found: libmclf.so.3.0.0 => not found libmcl.so.3.0.0 => not found libtorch.so => not found libtorch_cpu.so => not found libmclf.so.3.0.0 => not found libmcl.so.3.0.0 => not found libtorch.so => not found libtorch_cpu.so => not found libc10.so => not found *** Trying to update the LD_LIBRARY_PATH The library path /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/python3.12/site-packages/torch/lib was appended to LD_LIBRARY_PATH The library path /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/MiMiC was appended to LD_LIBRARY_PATH The library path /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/MiMiC is already present ... skipping The library path /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/python3.12/site-packages/torch/lib is already present ... skipping The library path /opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/python3.12/site-packages/torch/lib is already present ... skipping *** The update of the LD_LIBRARY_PATH was successful LD_LIBRARY_PATH = "/opt/cp2k/install/lib:/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib64:/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib:/opt/cp2k/spack/venv/lib64:/opt/cp2k/spack/venv/lib:/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/python3.12/site-packages/torch/lib:/opt/cp2k/spack/spack-1.1.0/opt/spack/view/lib/MiMiC" *** A regression test run can be launched with podman run -it --rm run_tests *** An MPI-parallel CP2K run using 2 OpenMP threads for each of the 4 MPI ranks can be launched with podman run -it --rm mpiexec -n 4 -genv OMP_NUM_THREADS=2 cp2k /opt/cp2k/benchmarks/CI/H2O-32_md.inp ---> Removed intermediate container d0b760da388d ---> e89f31fc05d3 Step 10/21 : FROM "${BASE_IMAGE}" AS install_cp2k ---> 493218ed0f40 Step 11/21 : RUN apt-get update -qq && apt-get install -qq --no-install-recommends g++ gcc gfortran python3 && rm -rf /var/lib/apt/lists/* ---> Using cache ---> 6a0bb9ebcdad Step 12/21 : WORKDIR /opt/cp2k ---> Using cache ---> 2e01707cf31f Step 13/21 : COPY --from=build_cp2k /opt/cp2k/spack/spack-1.1.0/opt/spack ./spack/spack-1.1.0/opt/spack ---> f2fe9013890c Step 14/21 : COPY --from=build_cp2k /opt/cp2k/install ./install ---> 08c623bbe097 Step 15/21 : COPY --from=build_cp2k /opt/cp2k/tests ./tests ---> 3fd53cbd1e07 Step 16/21 : COPY --from=build_cp2k /opt/cp2k/src/grid/sample_tasks ./src/grid/sample_tasks ---> 7d4efca54fd3 Step 17/21 : COPY --from=build_cp2k /opt/cp2k/benchmarks/CI ./benchmarks/CI ---> a879568ee149 Step 18/21 : RUN /bin/bash -o pipefail -c "/opt/cp2k/install/bin/entrypoint.sh /opt/cp2k/install/bin/run_tests " ---> Running in b729e8d80c80 *************************** Testing started **************************** ----------------------------- Settings --------------------------------- MPI ranks: 2 OpenMP threads: 2 GPU devices: 0 Workers: 8 Timeout [s]: 400 Work base dir: /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42 MPI exec: mpiexec -n {N} --bind-to none Smoke test: False Valgrind: False Keepalive: False Flag slow: False Debug: False Binary dir: /opt/cp2k/install/bin CP2K data dir: /opt/cp2k/install/share/cp2k/data VERSION: psmp Flags: omp,libint,fftw3,libxc,pexsi,elpa,parallel,scalapack,mpi_f08,cosma,ace,deepmd,xsmm,plumed2,spglib,libdftd4,mctc-lib,tblite,sirius,libvori,libbqb,libtorch,mimic,libvdwxc,hdf5,trexio,libsmeagol,greenx,openpmd ------------------------------------------------------------------------ Copying test files ... done Skipping MIMIC/regtest-qmmm because its requirements are not satisfied. Skipping TMC/regtest_ana_on_the_fly because its requirements are not satisfied. Skipping QS/regtest-cusolver because its requirements are not satisfied. Skipping QS/regtest-dlaf because its requirements are not satisfied. Skipping QS/regtest-dlaf-2 because its requirements are not satisfied. Skipping Fist/regtest-quip because its requirements are not satisfied. Launched 408 test directories and 8 worker... >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/grid_unittest grid_unittest - OK ( 0.24 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/grid_unittest (1 of 408) done in 0.24 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/memory_utilities_unittest memory_utilities_unittest - OK ( 0.31 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/memory_utilities_unittest (2 of 408) done in 0.31 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/gemm_square_unittest gemm_square_unittest - OK ( 0.32 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/gemm_square_unittest (3 of 408) done in 0.32 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/parallel_rng_types_unittest parallel_rng_types_unittest - OK ( 0.39 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/parallel_rng_types_unittest (4 of 408) done in 0.39 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/dbt_tas_unittest dbt_tas_unittest - OK ( 0.56 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/dbt_tas_unittest (5 of 408) done in 0.56 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/gx_ac_unittest gx_ac_unittest - OK ( 0.33 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/gx_ac_unittest (6 of 408) done in 0.33 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/libcp2k_unittest libcp2k_unittest - OK ( 0.74 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/libcp2k_unittest (7 of 408) done in 0.74 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/dbt_unittest dbt_unittest - OK ( 1.22 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/dbt_unittest (8 of 408) done in 1.22 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/nequip_unittest nequip_unittest - OK ( 2.36 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/UNIT/nequip_unittest (9 of 408) done in 2.36 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/HP-DFT hp-dft_0eV.inp:M011 -236.4394597 OK ( 1.14 sec) hp-dft_0eV.inp:M126 - OK ( 1.14 sec) hp-dft_1eV.inp:M011 -238.2300259 OK ( 1.65 sec) hp-dft_1eV.inp:M126 - OK ( 1.65 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/HP-DFT (10 of 408) done in 5.59 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-monovalent ethane_stub.inp -7.708820675 OK ( 4.00 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-monovalent (11 of 408) done in 4.00 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-tblite-gfn1-periodic COBe_gfn1_fd.inp -7.428318621 OK ( 0.93 sec) CH2O_gfn1.inp -7.85035843 OK ( 0.79 sec) Si_gfn1_fd.inp -14.4521175 OK ( 2.18 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-tblite-gfn1-periodic (12 of 408) done in 3.90 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-tblite-gfn1-grad CH2O_gfn1_force.inp 1.86e-06 OK ( 1.33 sec) COBe_gfn1_fd_force.inp 1.52e-06 OK ( 1.42 sec) Si_gfn1_fd_force.inp 0.00011533 OK ( 4.39 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-tblite-gfn1-grad (13 of 408) done in 7.15 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-tblite-ipea1 CH2O_ipea1.inp -8.201762044 OK ( 0.77 sec) COBe_ipea1.inp -7.710820337 OK ( 0.79 sec) H2SO4_ipea1.inp -23.68636185 OK ( 0.74 sec) CH2O_ipea1_force.inp 1e-08 OK ( 2.02 sec) COBe_ipea1_force.inp 2e-08 OK ( 1.76 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-tblite-ipea1 (14 of 408) done in 6.08 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-hf-3c h2o.inp -75.25508027 OK ( 1.07 sec) o2.inp -147.6247602 OK ( 1.75 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-hf-3c (15 of 408) done in 2.82 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-moments-kpoints C2_pbe_scf_kp.inp 0.344 OK ( 4.92 sec) C2_pbe_moment_kp.inp 0.344 OK ( 1.83 sec) C2_pbe_moment_kpset.inp -7100 OK ( 1.79 sec) CrSBr_open_shell.inp -1.25 OK ( 2.07 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-moments-kpoints (16 of 408) done in 10.62 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-tblite-gfn2 CH2O_gfn2.inp -7.173729985 OK ( 0.74 sec) COBe_gfn2.inp -6.69204086 OK ( 0.85 sec) H2SO4_gfn2.inp -20.53520859 OK ( 0.83 sec) CH2O_gfn2_force.inp 3.73e-06 OK ( 2.04 sec) COBe_gfn2_force.inp 9.4e-07 OK ( 2.85 sec) Hg2Cl2_gfn2_force.inp 6.43e-06 OK ( 1.84 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-tblite-gfn2 (17 of 408) done in 9.15 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-double-hybrid-stress-laplace H2O_br89_mp2_an.inp 255477.0957 OK ( 1.74 sec) CH3_br89_mp2_an.inp -20343.56614 OK ( 2.47 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-double-hybrid-stress-laplace (18 of 408) done in 4.21 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-tblite-gfn1 CH2O_gfn1.inp -7.844605822 OK ( 0.76 sec) COBe_gfn1.inp -7.435245881 OK ( 0.74 sec) H2SO4_gfn1.inp -23.44102874 OK ( 0.70 sec) Hg2Cl2_gfn1.inp -10.35449727 OK ( 0.68 sec) COBe_gfn1_force.inp 2e-08 OK ( 1.52 sec) H2SO4_gfn1_force.inp 6e-08 OK ( 3.07 sec) Hg2Cl2_gfn1_force.inp - OK ( 1.34 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-tblite-gfn1 (19 of 408) done in 8.82 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-spgr-id copper.inp 225 OK ( 1.47 sec) quartz.inp 154 OK ( 9.98 sec) argon.inp 99 OK ( 3.09 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-spgr-id (20 of 408) done in 14.55 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-sf h2o_pade.inp -6.92175 OK ( 1.16 sec) h2o_pbe.inp -6.95678 OK ( 1.17 sec) h2o_pbe0_col.inp 90.45717 WRONG RESULT ( 4.88 sec) h2o_pbe0_admm_pbex.inp 20.84348 WRONG RESULT ( 3.90 sec) h2o_pbe0_admm_none.inp 21.02079 WRONG RESULT ( 3.72 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-sf (21 of 408) done in 14.83 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/Fist/regtest-ace H2O-64_ACE_MD.inp -0.5834682549 OK ( 4.63 sec) triclinic.inp 0.00280687395 OK ( 1.36 sec) stress_tensor.inp:M011 6.76148038 OK ( 1.44 sec) stress_tensor.inp:M031 620057.4644 OK ( 1.44 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/Fist/regtest-ace (22 of 408) done in 8.87 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-rpa-sigma RPA_SIGMA_H2O_clenshaw.inp -17.19226814 OK ( 2.75 sec) RPA_SIGMA_H2O_minimax.inp -17.19013975 OK ( 2.75 sec) RPA_SIGMA_H_minimax.inp -0.5152164711 OK ( 1.75 sec) RPA_SIGMA_H_clenshaw.inp -0.5150909069 OK ( 1.75 sec) RPA_SIGMA_H2O_minimax_NUM_INTEG_GROUPS.inp -17.19013975 OK ( 2.83 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-rpa-sigma (23 of 408) done in 11.83 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-sf-force h2o_pade_opt.inp -16.83108498 OK ( 6.39 sec) h2o_pbe_opt.inp -16.938198 OK ( 8.19 sec) h2o_pbe0_opt.inp -66.5348685 WRONG RESULT ( 35.93 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-sf-force (24 of 408) done in 50.51 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-gfn0 ch2o_1.inp -6.465180115 OK ( 0.80 sec) ch2o_2.inp - OK ( 0.87 sec) ch2o_3.inp -6.465397793 OK ( 0.73 sec) ch2o_4.inp - OK ( 1.18 sec) ch2o_5.inp - OK ( 0.92 sec) ch2o_6.inp - OK ( 1.01 sec) ch2o_7.inp - OK ( 1.17 sec) ch2o_8.inp - OK ( 1.33 sec) ch2o_9.inp - OK ( 1.13 sec) si_kp.inp - OK ( 6.49 sec) si_smear.inp - OK ( 3.23 sec) SiC_virial.inp - OK ( 1.44 sec) SiC-stress.inp - OK ( 3.15 sec) ch2o_eeq.inp -7.844987821 OK ( 1.21 sec) ch2o_eloc.inp - OK ( 0.95 sec) ch2o_eper.inp - OK ( 1.17 sec) ch2o_ls1.inp -6.465159721 OK ( 0.76 sec) ch2o_ls2.inp - OK ( 1.73 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-gfn0 (25 of 408) done in 29.28 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-gfn0-d ch2o_t01.inp - OK ( 0.80 sec) ch2o_t02.inp - OK ( 0.78 sec) ch2o_t03.inp - OK ( 1.12 sec) ch2o_t04.inp - OK ( 0.97 sec) ch2o_t05.inp - OK ( 0.93 sec) ch2o_t06.inp - OK ( 1.08 sec) ch2o_t07.inp - OK ( 1.05 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-gfn0-d (26 of 408) done in 6.74 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/ATOM/regtest-1 Ac.inp -24338.79103 OK ( 0.71 sec) Ag.inp -5315.691187 OK ( 0.84 sec) Al.inp -242.8152325 OK ( 0.72 sec) Am.inp -30427.7928 OK ( 0.84 sec) Ar.inp -526.6944468 OK ( 0.75 sec) As.inp -2260.822277 OK ( 0.86 sec) At.inp -21838.16713 OK ( 0.69 sec) Au.inp -19017.20379 OK ( 0.71 sec) Ba.inp -8135.267023 OK ( 0.77 sec) Be.inp -12.02866675 OK ( 0.74 sec) Bi.inp -21538.49206 OK ( 0.89 sec) B.inp -24.64299612 OK ( 0.84 sec) Bk.inp -29092.10294 OK ( 0.76 sec) Br.inp -2573.230345 OK ( 0.72 sec) Ca.inp -36.62434872 OK ( 0.77 sec) Cd.inp -4755.162251 OK ( 0.72 sec) Ce.inp -7580.953296 OK ( 0.72 sec) Cf.inp -32945.089 OK ( 0.74 sec) C.inp -37.80045348 OK ( 0.79 sec) Cl.inp -12.014422 OK ( 0.72 sec) Cm.inp -32145.5875 OK ( 0.75 sec) Co.inp -1380.064009 OK ( 0.87 sec) Cr.inp -1048.280115 OK ( 0.81 sec) Cs.inp -7783.852859 OK ( 0.79 sec) Cu.inp -1660.94758 OK ( 0.93 sec) Dy.inp -12424.35925 OK ( 0.86 sec) Er.inp -13365.37635 OK ( 0.77 sec) Es.inp -28975.41815 OK ( 0.73 sec) Eu.inp -11038.90094 OK ( 0.79 sec) Fe.inp -1269.185907 OK ( 0.69 sec) F.inp -24.15593024 OK ( 0.73 sec) Fm.inp -31274.34582 OK ( 0.78 sec) Fr.inp -24256.5335 OK ( 0.79 sec) Ga.inp -141.3051365 OK ( 0.68 sec) Gd.inp -10382.68767 OK ( 0.74 sec) Ge.inp -2076.605271 OK ( 0.84 sec) He.inp -2.855160426 OK ( 0.68 sec) Hf.inp -14315.15786 OK ( 0.71 sec) Hg.inp -18489.96942 OK ( 0.84 sec) H.inp -0.4576486485 OK ( 0.67 sec) Ho.inp -12061.46364 OK ( 0.79 sec) I.inp -6277.337938 OK ( 0.66 sec) In.inp -5742.002592 OK ( 0.81 sec) Ir.inp -16809.39285 OK ( 0.81 sec) K.inp -599.8947678 OK ( 0.70 sec) Kr.inp -1202.23854 OK ( 0.69 sec) La.inp -8907.178393 OK ( 0.71 sec) Li.inp -7.448964316 OK ( 0.67 sec) Lr.inp -33560.76145 OK ( 0.73 sec) Lu.inp -13847.75484 OK ( 0.69 sec) Md.inp -32034.92039 OK ( 0.74 sec) Mg.inp -199.838236 OK ( 0.67 sec) Mn.inp -1148.426746 OK ( 0.68 sec) Mo.inp -7.280764062 OK ( 0.72 sec) Na.inp -162.1643619 OK ( 0.88 sec) Nb.inp -3788.706945 OK ( 0.71 sec) Nd.inp -9285.360557 OK ( 0.80 sec) Ne.inp -128.7412924 OK ( 0.82 sec) Ni.inp -1507.584369 OK ( 0.82 sec) N.inp -54.32439274 OK ( 0.69 sec) No.inp -32781.06299 OK ( 0.75 sec) Np.inp -26324.22702 OK ( 0.72 sec) O.inp -74.91645222 OK ( 0.72 sec) Os.inp -16293.59374 OK ( 0.77 sec) Pa.inp -25009.63765 OK ( 0.75 sec) Pb.inp -19523.62004 OK ( 0.84 sec) Pd.inp -4937.941494 OK ( 0.92 sec) P.inp -341.0254221 OK ( 0.96 sec) Pm.inp -9651.249736 OK ( 0.85 sec) Po.inp -20670.5023 OK ( 0.83 sec) Pr.inp -8895.9693 OK ( 0.79 sec) Pt.inp -16995.85582 OK ( 0.79 sec) Pu.inp -27028.45989 OK ( 0.85 sec) Ra.inp -14723.1044 OK ( 0.68 sec) Rb.inp -2936.319637 OK ( 0.83 sec) Re.inp -15779.78313 OK ( 0.74 sec) Rh.inp -4682.99153 OK ( 0.77 sec) Rn.inp -21819.77638 OK ( 0.87 sec) Ru.inp -4438.88236 OK ( 0.74 sec) Sb.inp -6310.230408 OK ( 0.73 sec) Sc.inp -758.6652874 OK ( 0.72 sec) Se.inp -2401.12096 OK ( 0.84 sec) Si.inp -289.360567 OK ( 0.82 sec) S.inp -398.0932977 OK ( 0.80 sec) Sm.inp -10038.12256 OK ( 0.82 sec) Sn.inp -6019.814832 OK ( 0.77 sec) Sr.inp -3129.388219 OK ( 0.72 sec) Ta.inp -14795.4749 OK ( 0.72 sec) Tb.inp -11229.64912 OK ( 0.72 sec) Tc.inp -4206.714144 OK ( 0.69 sec) Te.inp -6614.277191 OK ( 0.79 sec) Th.inp -24362.66531 OK ( 0.79 sec) Ti.inp -849.0698698 OK ( 0.74 sec) Tl.inp -18964.98039 OK ( 0.69 sec) Tm.inp -12943.67323 OK ( 0.82 sec) U.inp -25598.13038 OK ( 0.81 sec) V.inp -941.6606751 OK ( 0.73 sec) W.inp -15283.01803 OK ( 0.73 sec) Xe.inp -5307.534782 OK ( 0.78 sec) Yb.inp -13395.79405 OK ( 0.69 sec) Y.inp -3333.557346 OK ( 0.71 sec) Zn.inp -1699.535304 OK ( 0.67 sec) Zr.inp -3536.662608 OK ( 0.72 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/ATOM/regtest-1 (27 of 408) done in 78.76 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-gpw-4 H2O-5.inp -17.14546536 OK ( 1.03 sec) H2O-6.inp -17.14603642 OK ( 0.89 sec) H2-geo-1.inp -0.5853180852 OK ( 0.93 sec) H2-geo-2.inp -1.123652437 OK ( 1.54 sec) H2-geo-3.inp -1.123645498 OK ( 1.26 sec) H2-geo-4.inp -1.091085736 OK ( 2.54 sec) H2-geo-5.inp -1.151548651 OK ( 5.83 sec) Cu.inp -64.51883503 OK ( 0.99 sec) H2O-debug-1.inp -8.120845918 OK ( 1.62 sec) H2O-debug-2.inp -16.00183627 OK ( 1.17 sec) H2O-debug-3.inp -15.74262975 OK ( 1.05 sec) H2O-debug-4.inp -15.74262975 OK ( 1.14 sec) H2O-debug-5.inp -0.5351298661 OK ( 3.00 sec) H2O-debug-6.inp -0.5351259941 OK ( 4.70 sec) H2O-debug-7.inp -34.0112205 OK ( 3.93 sec) H2O-debug-8.inp -0.4829712308 OK ( 2.70 sec) C2H4-meta.inp -14.34745108 OK ( 1.26 sec) test-pdb.inp -115.7799696 OK ( 1.65 sec) H2O+SC.inp - OK ( 1.31 sec) spin_restraint.inp -4.638751145 OK ( 2.56 sec) H2O-meta_g.inp -17.16168354 OK ( 2.20 sec) H2O-meta_hydro.inp -77.65379786 OK ( 1.80 sec) H2O-7.inp -17.14737299 OK ( 1.32 sec) H2O_wavelet_free.inp -16.59417145 OK ( 0.99 sec) H2O_wavelet_free2.inp -16.58217277 OK ( 1.13 sec) H2O_wavelet_XZ.inp -16.59433277 OK ( 12.11 sec) NO2-EFG-1.inp 0.289520635 OK ( 0.99 sec) H2O-8.inp -16.99998002 OK ( 1.10 sec) H2O-9.inp -17.16151289 OK ( 2.86 sec) H.inp -0.4034550831 OK ( 1.01 sec) basis_none_1.inp -17.10979009 OK ( 3.69 sec) basis_none_2.inp -17.1109803 OK ( 1.55 sec) cell-1.inp -21.04955836 OK ( 1.01 sec) cell-2.inp -21.04965587 OK ( 1.00 sec) He3_multi_ddapc.inp -7.583748827 OK ( 1.74 sec) N.inp -9.66927782 OK ( 0.85 sec) N_notfixedMM.inp -9.660800479 OK ( 0.87 sec) h2o-otdiag.inp -17.09951347 OK ( 2.02 sec) h2o-diag.inp -16.10105776 OK ( 0.81 sec) h2o-diag-sub.inp -17.10796281 OK ( 1.09 sec) h2o-otdiag-lsd.inp -12.43939517 OK ( 2.08 sec) H2O-extpot.inp -17.14000272 OK ( 1.53 sec) H-extpot.inp 0.3675831492 OK ( 0.84 sec) H2O-analytic_vee.inp -17.16508983 OK ( 1.79 sec) H2O-read_cube.inp -17.16506959 OK ( 1.79 sec) 2H2O_meta_welltemp.inp -34.16302155 OK ( 1.72 sec) ND3_meta_welltemp.inp -11.80921592 OK ( 1.25 sec) H2O-gapw.inp -17.13880432 OK ( 1.25 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-gpw-4 (28 of 408) done in 93.50 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-debug-5 h2o_dip12.inp 0.1975508922 OK ( 1.94 sec) h2o_dip13.inp 0.1490383186 OK ( 2.31 sec) h2o_dip13b.inp 0.1516718316 OK ( 3.15 sec) h2o_dip13c.inp 0.1686271948 OK ( 3.30 sec) h2o_dip14.inp 0.815745823 OK ( 4.35 sec) h2o_dip15.inp 0.1769969798 OK ( 4.82 sec) h2o_dip15b.inp 0.1532607085 OK ( 3.29 sec) h2o_dip16.inp 0.1571280933 OK ( 2.44 sec) h2o_dip16b.inp 0.1312796511 OK ( 3.87 sec) h2o_dip17.inp 0.1057790503 OK ( 3.04 sec) h2o_dip18.inp 0.1642328389 OK ( 4.49 sec) h2o_dip19.inp 0.1320112225 OK ( 4.33 sec) h2o_dip20.inp 0.2606203972 OK ( 3.85 sec) h2o_dip21.inp 0.176823912 OK ( 3.69 sec) h2o_dip22.inp 0.1352091642 OK ( 2.85 sec) h2o_dip23.inp 0.2926687791 OK ( 2.54 sec) h2o_dip24.inp 0.1434277942 OK ( 3.27 sec) h2o_dip25.inp 0.1490383186 OK ( 2.46 sec) h2o_dip26.inp 0.8571829439 OK ( 5.85 sec) h2o_dip27.inp 0.8535842331 OK ( 4.80 sec) h2o_dip28.inp 0.8448106301 OK ( 5.55 sec) h2o_dip32.inp 0.7482232589 OK ( 4.02 sec) h2o_dip35.inp 0.1522249946 OK ( 4.16 sec) h2o_dip36.inp 0.1522250782 OK ( 4.17 sec) h2o_dip37.inp 0.1484039812 WRONG RESULT ( 4.48 sec) h2o_dip38.inp - RUNTIME FAIL ( 9.87 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-debug-5 (29 of 408) done in 102.88 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-pao-2 H2O_ref.inp -17.20270081 OK ( 1.23 sec) H2O_pao_exp.inp -17.20270083 OK ( 5.96 sec) H2O_pao_fock.inp -17.20270081 OK ( 12.63 sec) H2O_pao_rotinv.inp -17.20269213 OK ( 29.88 sec) H2O_pao_eq_prim.inp -17.20270083 OK ( 1.00 sec) H2O_pao_gth.inp -17.20268475 OK ( 13.41 sec) H2O_pao_equi.inp -17.20270084 OK ( 5.97 sec) H2O_pao_exp_cluster.inp -17.20270083 OK ( 1.04 sec) H2O_pao_exp_cluster_MD.inp -17.20232034 OK ( 10.29 sec) H2O_pao_exp_hybrid.inp -17.20270083 OK ( 2.72 sec) H2O_pao_fock_hybrid.inp -17.20270081 OK ( 3.95 sec) H2O_pao_rotinv_hybrid.inp -17.20269407 OK ( 10.31 sec) H2O_pao_gth_hybrid.inp -17.2026816 OK ( 1.79 sec) H2O_pao_equi_hybrid.inp -17.20270083 OK ( 2.72 sec) H2O_ref2.inp -17.20282238 OK ( 1.21 sec) H2O_pao_rotinv_restart.inp -17.20281135 OK ( 1.19 sec) H2O_pao_check_grad.inp - OK ( 6.58 sec) H2O_pao_mixing.inp -17.20469795 OK ( 5.89 sec) H2O_pao_minimal.inp -17.14003123 OK ( 1.29 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-pao-2 (30 of 408) done in 119.07 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-gfn0-m1 Ag2.inp -8.631263715 OK ( 0.72 sec) AgCl.inp -8.656105615 OK ( 0.67 sec) Al2O3.inp -12.29539878 OK ( 0.71 sec) Al2S3.inp -12.5374185 OK ( 0.77 sec) AlCl3.inp -14.2835809 OK ( 0.67 sec) AlF3.inp -13.06788596 OK ( 0.70 sec) AlH3.inp -3.106412075 OK ( 0.68 sec) AlN.inp -4.141534847 OK ( 0.70 sec) As4.inp -9.880813017 OK ( 0.68 sec) As4S4.inp -22.87205746 OK ( 0.67 sec) AsCl3.inp -15.43580398 OK ( 0.65 sec) AsCl6-.inp -29.81804828 OK ( 0.69 sec) AsH3.inp -4.126678762 OK ( 0.69 sec) Au2.inp -9.655921646 OK ( 0.66 sec) Au3-.inp -16.0688074 OK ( 0.71 sec) AuCl.inp -9.158110105 OK ( 0.70 sec) AuCl3.inp -17.72438631 OK ( 0.70 sec) B2H6.inp -5.980523221 OK ( 0.72 sec) B3N3H6.inp -16.38964391 OK ( 0.67 sec) B4H4.inp -7.188707801 OK ( 0.70 sec) BaF.inp -4.43964478 OK ( 0.71 sec) BaF2.inp -8.500688056 OK ( 0.72 sec) BaH2.inp -1.779303536 OK ( 0.71 sec) BaO.inp -3.948400164 OK ( 0.69 sec) BaS.inp -4.014587342 OK ( 0.68 sec) Be2F4.inp -17.35783996 OK ( 0.66 sec) Be2H4.inp -4.020034711 OK ( 0.73 sec) Be4.inp -3.044968672 OK ( 0.70 sec) BeC2H6.inp -8.345348532 OK ( 0.71 sec) BeF2O2H4.inp -17.40541152 OK ( 0.72 sec) BeH2.inp -1.982493715 OK ( 0.70 sec) BeS.inp -4.064521786 OK ( 0.70 sec) BF3.inp -13.08398342 OK ( 0.73 sec) BH3.inp -2.991981911 OK ( 0.69 sec) BH3CO.inp -8.393510447 OK ( 0.67 sec) BH3NH3.inp -7.612903827 OK ( 0.67 sec) BiCl6-.inp -29.88025576 OK ( 0.69 sec) BiF.inp -6.319637756 OK ( 0.64 sec) BiF3.inp -14.22808929 OK ( 0.66 sec) BiH3.inp -4.310727187 OK ( 0.67 sec) BiO2.inp -8.976030369 OK ( 0.69 sec) Br2.inp -7.305471219 OK ( 0.68 sec) BrCl.inp -7.933305517 OK ( 0.72 sec) BrO4-.inp -18.1438955 OK ( 0.68 sec) C2H2.inp -5.277118305 OK ( 0.67 sec) C2H3N.inp -8.708577737 OK ( 0.68 sec) C2H4.inp -6.423890202 OK ( 0.68 sec) C2H6.inp -7.582009082 OK ( 0.65 sec) C4H4.inp -10.46894372 OK ( 0.66 sec) C6H6.inp -15.95636304 OK ( 0.68 sec) CaCl2.inp -9.385169245 OK ( 0.69 sec) CaF2.inp -8.491955648 OK ( 0.69 sec) CaH2.inp -1.807855056 OK ( 0.70 sec) CdF2.inp -8.668661447 OK ( 0.66 sec) CdMe2.inp -8.400756962 OK ( 0.67 sec) CF4.inp -17.58734142 OK ( 0.67 sec) CH2O.inp -6.465899467 OK ( 0.68 sec) CH2O2.inp -9.656800664 OK ( 0.71 sec) CH3N.inp -6.689209711 OK ( 0.68 sec) CH3OH.inp -7.59482975 OK ( 0.69 sec) CH4.inp -4.357850871 OK ( 0.71 sec) Cl2.inp -8.551100291 OK ( 0.72 sec) ClF.inp -8.095206533 OK ( 0.65 sec) ClF3.inp -15.7987664 OK ( 0.69 sec) CO.inp -5.345596051 OK ( 0.70 sec) CO2.inp -8.690387504 OK ( 0.65 sec) CoCl3.inp -16.59410031 OK ( 0.72 sec) CoF2.inp -11.54744324 OK ( 0.72 sec) CoF3.inp -15.40794823 OK ( 0.68 sec) CrCl3.inp -15.13271028 OK ( 0.67 sec) CrCO6.inp -34.5761695 OK ( 0.69 sec) CrF3.inp -14.00451624 OK ( 0.69 sec) CrO3.inp -12.14640481 OK ( 0.66 sec) CS2.inp -8.592940346 OK ( 0.66 sec) CsF.inp -4.419960884 OK ( 0.71 sec) CsH.inp -1.063894629 OK ( 0.66 sec) CsO.inp -3.73767445 OK ( 0.65 sec) Cu2.inp -9.04996647 OK ( 0.72 sec) Cu2O.inp -12.32438778 OK ( 0.67 sec) Cu2S.inp -12.4221824 OK ( 0.70 sec) CuCl.inp -8.869718148 OK ( 0.73 sec) CuCN.inp -9.578391375 OK ( 0.73 sec) CuF.inp -8.449431919 OK ( 0.70 sec) CuH.inp -5.132478991 OK ( 0.65 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-gfn0-m1 (31 of 408) done in 57.82 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-gfn0-m2 F2.inp -7.632635018 OK ( 0.69 sec) FeCO5.inp -30.21332664 OK ( 0.69 sec) FeF2.inp -10.8998279 OK ( 0.68 sec) FeF3.inp -14.93281772 OK ( 0.68 sec) FeO.inp -6.353508318 OK ( 0.66 sec) Ferrocen.inp -29.90096908 OK ( 0.73 sec) GaCl.inp -5.511320847 OK ( 0.70 sec) GaCl3.inp -14.19720564 OK ( 0.71 sec) GaF.inp -5.104905001 OK ( 0.72 sec) GaF2.inp -8.993759412 OK ( 0.69 sec) GaH3.inp -2.972103902 OK ( 0.70 sec) GaO.inp -4.420472481 OK ( 0.73 sec) GeCl4.inp -19.3069569 OK ( 0.68 sec) GeF3.inp -13.61805273 OK ( 0.67 sec) GeF4.inp -17.5502147 OK ( 0.67 sec) GeH4.inp -4.345057439 OK ( 0.66 sec) GeO.inp -5.249916206 OK ( 0.64 sec) GeO2.inp -8.469995747 OK ( 0.68 sec) H2.inp -1.150083293 OK ( 0.68 sec) H2CO3.inp -13.04513493 OK ( 0.68 sec) H2O.inp -4.365738496 OK ( 0.67 sec) H2O2.inp -7.564973739 OK ( 0.73 sec) H2SO4.inp -17.37065108 OK ( 0.69 sec) H3PO4.inp -17.16479871 OK ( 0.70 sec) HBr.inp -4.210688744 OK ( 0.66 sec) HCBr3.inp -13.60199938 OK ( 0.67 sec) HCl.inp -4.842721013 OK ( 0.64 sec) HCN.inp -5.576306015 OK ( 0.65 sec) HCP.inp -5.004362846 OK ( 0.69 sec) HF.inp -4.418713621 OK ( 0.69 sec) HfF.inp -5.421926257 OK ( 0.67 sec) HfF3.inp -13.58764143 OK ( 0.71 sec) HfO.inp -4.808601009 OK ( 0.67 sec) HfO2.inp -8.203605108 OK ( 0.62 sec) Hg2Cl2.inp -10.41691958 OK ( 0.67 sec) HgF2.inp -8.640637525 OK ( 0.69 sec) HgMe2.inp -8.408637383 OK ( 0.73 sec) HNC.inp -5.55091594 OK ( 0.65 sec) HNO.inp -6.65546885 OK ( 0.67 sec) HNO2.inp -9.952371505 OK ( 0.68 sec) HNO3.inp -13.23462329 OK ( 0.72 sec) HSH.inp -4.370927596 OK ( 0.64 sec) HSSH.inp -7.628180053 OK ( 0.71 sec) I2.inp -7.030125855 OK ( 0.70 sec) ICl.inp -7.796551323 OK ( 0.64 sec) IH.inp -4.068709464 OK ( 0.72 sec) InCl.inp -5.623225027 OK ( 0.72 sec) InCl3.inp -14.23500389 OK ( 0.68 sec) InH.inp -1.86862794 OK ( 0.67 sec) InH3.inp -2.987994043 OK ( 0.69 sec) InO.inp -4.489317756 OK ( 0.69 sec) IO4-.inp -17.97216477 OK ( 0.68 sec) IrF6.inp -27.27466199 OK ( 0.70 sec) K2S.inp -4.187998134 OK ( 0.71 sec) K3P.inp -3.495781175 OK ( 0.66 sec) KBr.inp -4.126324824 OK ( 0.65 sec) KCl.inp -4.740300823 OK ( 0.73 sec) KF.inp -4.358522443 OK ( 0.67 sec) KH.inp -1.021189465 OK ( 0.69 sec) KI.inp -3.988171031 OK ( 0.69 sec) Li2.inp -0.6815922908 OK ( 0.72 sec) Li2O.inp -4.100563703 OK ( 0.72 sec) Li4C4H12.inp -16.78230316 OK ( 0.66 sec) Li4Cl4.inp -18.91826584 OK ( 0.67 sec) Li4H4.inp -4.261695094 OK ( 0.68 sec) Li8.inp -3.34760755 OK ( 0.65 sec) LiBH4.inp -4.039030652 OK ( 0.68 sec) LiCl.inp -4.72398896 OK ( 0.70 sec) LiF.inp -4.384140977 OK ( 0.71 sec) LiH.inp -0.9940179145 OK ( 0.68 sec) LiSLi.inp -4.152473589 OK ( 0.69 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-gfn0-m2 (32 of 408) done in 48.62 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-gapw h2o_f01.inp 0.138356 OK ( 3.61 sec) h2o_f01_coulomb_only.inp 1.01128 OK ( 1.96 sec) h2o_f01_pbe_gapwxc.inp 0.138361 OK ( 4.62 sec) h2o_f01_pbe.inp 0.14115 OK ( 3.64 sec) h2o_f02_coulomb_only.inp 0.202091 OK ( 3.71 sec) h2o_t01.inp - OK ( 6.46 sec) h2o_t02.inp - OK ( 8.23 sec) h2o_t03.inp - OK ( 9.31 sec) h2o_t04.inp - OK ( 9.48 sec) h2o_t05.inp - OK ( 5.41 sec) h2o_t06.inp - OK ( 5.30 sec) h2o_t07.inp - OK ( 8.31 sec) h2o_t08.inp - OK ( 9.81 sec) h2o_t09.inp - OK ( 5.27 sec) h2o_t10.inp - OK ( 6.05 sec) h2o_t11.inp - OK ( 6.70 sec) h2o_t12.inp - OK ( 7.39 sec) bnt1.inp - OK ( 2.59 sec) bnt2.inp - OK ( 4.57 sec) bnt3.inp - OK ( 2.78 sec) ft1.inp - RUNTIME FAIL ( 6.98 sec) ft2.inp - RUNTIME FAIL ( 7.29 sec) ft3.inp - RUNTIME FAIL ( 8.57 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-gapw (33 of 408) done in 138.02 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-gfn0-m3 Mg4.inp -2.715983903 OK ( 0.67 sec) MgCl2.inp -9.392185995 OK ( 0.72 sec) MgF.inp -4.613693406 OK ( 0.63 sec) MgF2.inp -8.645705675 OK ( 0.67 sec) MgH2.inp -1.912928207 OK ( 0.66 sec) MnF2.inp -10.55941379 OK ( 0.69 sec) MnO.inp -5.860765651 OK ( 0.71 sec) MnO2.inp -9.256742514 OK ( 0.72 sec) MnO3F.inp -16.68435911 OK ( 0.70 sec) MnO4-.inp -17.54195827 OK ( 0.69 sec) MnS.inp -5.927588246 OK ( 0.66 sec) MoCO6.inp -34.62984594 OK ( 0.68 sec) MoF3.inp -13.93667354 OK ( 0.66 sec) MoH.inp -2.594110357 OK ( 0.69 sec) MoO2.inp -8.770567595 OK ( 0.68 sec) MoO3.inp -12.15282653 OK ( 0.69 sec) N2.inp -5.781576296 OK ( 0.67 sec) N2H2.inp -6.878742352 OK ( 0.67 sec) N2H4.inp -8.019588617 OK ( 0.67 sec) N4.inp -11.52978573 OK ( 0.66 sec) Na2O.inp -4.168355281 OK ( 0.66 sec) Na2S.inp -4.200485931 OK ( 0.69 sec) Na3N.inp -4.296003567 OK ( 0.68 sec) Na3P.inp -3.615997302 OK ( 0.69 sec) NaCl.inp -4.748895885 OK ( 0.67 sec) NaF.inp -4.410575606 OK ( 0.66 sec) NaH.inp -1.020505637 OK ( 0.72 sec) NbF3.inp -13.47945414 OK ( 0.70 sec) NbO.inp -5.016625981 OK ( 0.67 sec) NbO2.inp -8.318356431 OK ( 0.65 sec) NbO2F.inp -12.24306143 OK ( 0.67 sec) NF3.inp -14.42165224 OK ( 0.66 sec) NH3.inp -4.573559477 OK ( 0.75 sec) NH4F.inp -9.002414998 OK ( 0.69 sec) NiCl2.inp -12.54409984 OK ( 0.68 sec) NiCO4.inp -25.45727309 OK ( 0.66 sec) NiF2.inp -11.72439306 OK ( 0.67 sec) NiF3.inp -15.6461536 OK ( 0.69 sec) NiO.inp -7.111157404 OK ( 0.67 sec) NiS.inp -7.175456346 OK ( 0.71 sec) OF2.inp -10.87932702 OK ( 0.68 sec) OsCO5.inp -30.07986306 OK ( 0.66 sec) OsO2.inp -9.598556425 OK ( 0.69 sec) OsO3.inp -12.96206395 OK ( 0.70 sec) OsO4.inp -16.31898419 OK ( 0.69 sec) OsOF5.inp -26.04980911 OK ( 0.72 sec) P2.inp -4.742227328 OK ( 0.71 sec) PbF3.inp -13.99270027 OK ( 0.69 sec) PbH4.inp -4.711782629 OK ( 0.68 sec) PbO.inp -5.619868994 OK ( 0.67 sec) PbO2.inp -8.79035177 OK ( 0.68 sec) PdCO4.inp -25.57081422 OK ( 0.67 sec) PdF.inp -7.938379429 OK ( 0.63 sec) PdO2.inp -10.44545656 OK ( 0.72 sec) PF3.inp -14.04568251 OK ( 0.70 sec) PF5.inp -21.83858772 OK ( 0.71 sec) PH3.inp -4.100332254 OK ( 0.68 sec) PLi3.inp -3.486077 OK ( 0.70 sec) PtCO4.inp -25.71682795 OK ( 0.71 sec) PtO.inp -7.355280342 OK ( 0.68 sec) PtO2.inp -10.64484082 OK ( 0.68 sec) RbF.inp -4.351287738 OK ( 0.71 sec) RbH.inp -1.004375511 OK ( 0.65 sec) RbO.inp -3.628295806 OK ( 0.72 sec) ReH.inp -3.282312806 OK ( 0.74 sec) ReO.inp -6.026263145 OK ( 0.84 sec) ReO2.inp -9.393111544 OK ( 0.78 sec) ReO3.inp -12.73387315 OK ( 0.70 sec) ReO3F.inp -16.77291174 OK ( 0.76 sec) RhF.inp -7.650334799 OK ( 0.73 sec) RhF4.inp -19.36967113 OK ( 0.79 sec) RhF6.inp -27.25185138 OK ( 0.66 sec) RhO.inp -6.979141996 OK ( 0.79 sec) RuCO5.inp -30.29811076 OK ( 0.78 sec) RuF.inp -7.062978907 OK ( 0.81 sec) RuO.inp -6.424292147 OK ( 0.70 sec) RuO2.inp -9.841781632 OK ( 0.72 sec) RuO4.inp -16.44658402 OK ( 0.78 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-gfn0-m3 (34 of 408) done in 54.38 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-gfn0-m4 S2.inp -6.461355444 OK ( 0.66 sec) S5.inp -16.27446853 OK ( 0.67 sec) SbCl6-.inp -29.94137833 OK ( 0.64 sec) SbF.inp -6.379006322 OK ( 0.64 sec) SbF3.inp -14.27170662 OK ( 0.67 sec) SbH3.inp -4.311311563 OK ( 0.69 sec) SbO2.inp -9.012729854 OK ( 0.67 sec) ScCl3.inp -14.14482158 OK ( 0.67 sec) ScF3.inp -12.9695743 OK ( 0.66 sec) ScH3.inp -3.007556259 OK ( 0.64 sec) ScO.inp -4.374475829 OK ( 0.69 sec) Se8.inp -26.18477064 OK ( 0.71 sec) SeH2.inp -4.339622909 OK ( 0.71 sec) SeO.inp -6.446075974 OK ( 0.65 sec) SeO2.inp -9.723109944 OK ( 0.69 sec) SF2.inp -10.90552871 OK ( 0.67 sec) SF4.inp -18.66519814 OK ( 0.73 sec) SF6.inp -26.38166868 OK ( 0.66 sec) SiCl4.inp -19.0830335 OK ( 0.69 sec) SiF4.inp -17.36211137 OK ( 0.69 sec) SiH4.inp -4.095031344 OK ( 0.63 sec) SiO2.inp -8.284352192 OK ( 0.68 sec) SiS2.inp -8.371990036 OK ( 0.72 sec) SnF3.inp -13.93960795 OK ( 0.71 sec) SnH4.inp -4.676043058 OK ( 0.67 sec) SnO.inp -5.572611669 OK ( 0.68 sec) SnO2.inp -8.759791868 OK ( 0.67 sec) SrF.inp -4.458069909 OK ( 0.70 sec) SrF2.inp -8.500002816 OK ( 0.68 sec) SrH2.inp -1.782507741 OK ( 0.69 sec) SrO.inp -3.941307304 OK ( 0.68 sec) SrS.inp -4.010532015 OK ( 0.65 sec) TaF.inp -5.709030875 OK ( 0.73 sec) TaF3.inp -13.60116457 OK ( 0.68 sec) TaO2F.inp -12.29335022 OK ( 0.69 sec) Tc2O7.inp -28.52672408 OK ( 0.74 sec) TcO.inp -5.891748033 OK ( 0.74 sec) TcO3F.inp -16.55213878 OK ( 0.73 sec) TeF3.inp -14.68730354 OK ( 0.64 sec) TeH2.inp -4.262667262 OK ( 0.68 sec) TeO.inp -6.30446823 OK ( 0.70 sec) TeO2.inp -9.559796494 OK ( 0.65 sec) TiCl4.inp -18.96727086 OK ( 0.69 sec) TiCO4.inp -23.06285992 OK ( 0.71 sec) TiF3.inp -13.48535363 OK ( 0.70 sec) TiF4.inp -17.50181446 OK ( 0.69 sec) TiH4.inp -4.039361046 OK ( 0.68 sec) TiO.inp -4.766038462 OK ( 0.68 sec) TiO2.inp -8.196609444 OK ( 0.70 sec) TiS2.inp -8.278087397 OK ( 0.68 sec) TlCl.inp -6.197776656 OK ( 0.67 sec) TlCl3.inp -14.73857272 OK ( 0.64 sec) TlH.inp -2.412520135 OK ( 0.67 sec) TlH3.inp -3.477675459 OK ( 0.75 sec) TlO.inp -5.05567113 OK ( 0.74 sec) VH5.inp -4.723625919 OK ( 0.82 sec) VO.inp -5.02348527 OK ( 0.77 sec) VOF3.inp -16.91659417 OK ( 0.71 sec) WCO6.inp -34.89602029 OK ( 0.71 sec) WF3.inp -14.2231714 OK ( 0.75 sec) WH.inp -2.875185233 OK ( 0.74 sec) WO.inp -5.716593969 OK ( 0.66 sec) WO2.inp -9.083343814 OK ( 0.80 sec) WO3.inp -12.47595054 OK ( 0.80 sec) XeF2.inp -11.66165246 OK ( 0.79 sec) XeF4.inp -19.41968132 OK ( 0.72 sec) XeOF4.inp -22.69838737 OK ( 0.74 sec) YF.inp -5.086907324 OK ( 0.76 sec) YF3.inp -12.98296312 OK ( 0.68 sec) YO.inp -4.448124159 OK ( 0.74 sec) ZnCl2.inp -9.468954219 OK ( 0.74 sec) ZnF2.inp -8.664635271 OK ( 0.74 sec) ZnH2.inp -2.045940206 OK ( 0.72 sec) ZnMe2.inp -8.387596065 OK ( 0.78 sec) ZrF.inp -5.413869626 OK ( 0.70 sec) ZrF3.inp -13.51472072 OK ( 0.78 sec) ZrO.inp -4.814646247 OK ( 0.70 sec) ZrO2.inp -8.204712147 OK ( 0.76 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/xTB/regtest-gfn0-m4 (35 of 408) done in 54.76 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-4 test01.inp 0.976371 OK ( 2.49 sec) test02.inp 1.02132 OK ( 4.29 sec) test03.inp - RUNTIME FAIL ( 24.27 sec) test04.inp 1.02678 WRONG RESULT ( 5.33 sec) test05.inp - RUNTIME FAIL ( 31.87 sec) test06.inp 1.01603 WRONG RESULT ( 6.46 sec) test07.inp 1.01791 WRONG RESULT ( 4.26 sec) test08.inp 1.49807 WRONG RESULT ( 16.47 sec) test09.inp 1.01371 OK ( 7.56 sec) test10.inp 0.997064 OK ( 5.92 sec) test11.inp 1.0558 WRONG RESULT ( 5.68 sec) test12.inp 1.05058 OK ( 5.69 sec) test13.inp 1.0558 WRONG RESULT ( 3.92 sec) test14.inp 1.05058 OK ( 4.72 sec) test15.inp 1.09232 WRONG RESULT ( 7.41 sec) test16.inp 1.06367 OK ( 6.25 sec) test17.inp 1.70669 OK ( 3.15 sec) test18.inp 1.69628 WRONG RESULT ( 3.70 sec) test19.inp 1.21061 WRONG RESULT ( 6.00 sec) test20.inp 1.20983 OK ( 3.59 sec) test21.inp 1.05562 WRONG RESULT ( 6.89 sec) test22.inp 1.09139 WRONG RESULT ( 6.26 sec) test23.inp 1.09296 OK ( 6.43 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-4 (36 of 408) done in 178.60 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/Fist/regtest-7-1 uo2_shell_nve.inp -118.5207986 OK ( 1.25 sec) uo2_shell_nve_r.inp -118.5271868 OK ( 1.21 sec) uo2_shell_nvt.inp -118.4916179 OK ( 1.25 sec) uo2_shell_nvt_res.inp -118.4522337 OK ( 1.53 sec) uo2_shell_nvt_res_2.inp -118.4563662 OK ( 1.54 sec) uo2_shell_npti_b.inp -118.4746018 OK ( 1.26 sec) uo2_shell_npti.inp -118.4799803 OK ( 1.32 sec) uo2_shell_npt300.inp -118.4805435 OK ( 1.39 sec) uo2_shell_npt_msd.inp -118.5007665 OK ( 0.73 sec) uo2_nvt-1.inp -14.81870643 OK ( 0.79 sec) uo2_nvt.inp -14.81239534 OK ( 0.76 sec) uo2_nvt_0.inp -0.400382176 OK ( 0.91 sec) uo2_nvt_1.inp -7.090952132 OK ( 0.68 sec) uo2_nvt_2.inp -7.086975166 OK ( 0.96 sec) uo2_nvt_3.inp -7.079331274 OK ( 0.96 sec) uo2_nvt_4.inp -7.083256549 OK ( 0.88 sec) uo2_shell_nvt_shnose.inp -118.4908395 OK ( 1.28 sec) uo2_shell_nvt_shnose_r.inp -118.4569796 OK ( 1.31 sec) uo2_shell_nvt_shnose_b.inp -118.4801594 OK ( 1.30 sec) uo2_shell_nvt_shnose_c.inp -118.4826098 OK ( 1.35 sec) uo2_shell_nvt_shnosemass.inp -118.4801594 OK ( 1.52 sec) uo2_shell_nvt_shnosemass_r.inp -118.4393371 OK ( 1.46 sec) uo2_shell_nve_shnose.inp -118.4865997 OK ( 1.67 sec) uo2_shell_nvt_tkind.inp -118.4916179 OK ( 1.27 sec) uo2_shell_nvt_tkind_1.inp -118.4916179 OK ( 1.42 sec) uo2_shell_nvt_shCSVR.inp -118.475372 OK ( 1.34 sec) uo2_shell_nvt_shCSVR_NOSE.inp -118.4908395 OK ( 1.30 sec) uo2_shell_nvt_shCSVR_R.inp -118.4341293 OK ( 1.31 sec) uo2_shell_npe_1.inp -118.5204831 OK ( 1.38 sec) uo2_shell_npe_2.inp -118.4831922 OK ( 1.40 sec) uo2_shell_npe_2res.inp -118.4476114 OK ( 1.40 sec) uo2_shell_npe_3.inp -118.5126748 OK ( 1.38 sec) uo2_shell_npe_4.inp -118.5129457 OK ( 1.39 sec) uo2_shell_npe_5.inp -118.4817555 OK ( 1.44 sec) uo2_shell_npe_6.inp -118.4832738 OK ( 1.39 sec) uo2_shell_nve_vdt.inp -118.5287147 OK ( 2.13 sec) uo2_shell_nve_vdt_r.inp -118.5253194 OK ( 2.33 sec) uo2_shell_npt_vdt.inp -118.2649701 OK ( 2.41 sec) uo2_shell_npt_vdt_2.inp -117.9980803 OK ( 2.98 sec) uo2_shell_nve_dsc.inp -117.6743976 OK ( 2.19 sec) uo2_shell_npt_dsc.inp -118.0682365 OK ( 4.38 sec) uo2_shell_nve_zbl.inp -118.4823043 OK ( 2.01 sec) uo2_shell_nve_cascade.inp -118.4976939 OK ( 1.97 sec) UO2-4x4x4-core-forces.inp 3.030794e-12 OK ( 1.23 sec) UO2-4x4x4-core-shell-debug.inp 2.276332e-06 OK ( 1.38 sec) UO2-4x4x4-shell-forces.inp 5.577876e-12 OK ( 1.28 sec) UO2-4x4x4-autofit.inp -948.2409502 OK ( 1.30 sec) UO2-2x2x2-conn_user.inp 1 OK ( 0.86 sec) UO2-2x2x2-conn_user_nvt.inp -77.45103639 OK ( 0.84 sec) UO2-2x2x2-coord-0.inp -77.46109647 OK ( 0.86 sec) UO2-2x2x2-coord-1.inp -77.46109647 OK ( 0.86 sec) UO2-2x2x2-coord-2.inp -77.46109647 OK ( 0.75 sec) UO2-2x2x2-coord-3.inp -77.46109647 OK ( 0.75 sec) UO2-2x2x2-coord-scaled-1.inp -77.46109648 OK ( 0.87 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/Fist/regtest-7-1 (37 of 408) done in 75.13 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-debug-7 ch2o_gapw_t1.inp 48.32217358 OK ( 4.32 sec) ch2o_gapw_t2.inp 52.30346377 OK ( 4.57 sec) ch2o_gapw_t3.inp 51.40264202 WRONG RESULT ( 6.86 sec) ch2o_gapw_t4.inp 50.98476424 WRONG RESULT ( 7.37 sec) h2o_gapw_t5.inp 10.72838868 WRONG RESULT ( 3.90 sec) h2o_gapw_t6.inp 15.4794002 OK ( 4.73 sec) h2o_gapw_t7.inp 9.988765486 WRONG RESULT ( 9.55 sec) ch2o_gapw_xc_t1.inp 53.13445204 OK ( 4.83 sec) ch2o_gapw_xc_t2.inp 52.29886983 OK ( 6.38 sec) ch2o_gapw_xc_t3.inp 51.39848244 OK ( 8.23 sec) ch2o_gapw_xc_t4.inp 50.9812801 WRONG RESULT ( 8.07 sec) h2o_gapw_xc_t5.inp 10.79633149 WRONG RESULT ( 4.00 sec) h2o_gapw_xc_t6.inp 9.935972342 WRONG RESULT ( 8.80 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-debug-7 (38 of 408) done in 81.60 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-rtp-5 H2O-dens-pulse-1.inp -17.16754063 OK ( 1.54 sec) H2O-dens-pulse-2.inp -17.17094396 OK ( 1.58 sec) H2O-dens-pulse-3.inp -17.17097877 OK ( 1.58 sec) H2O-dens-pulse-4.inp -17.17778822 OK ( 1.50 sec) H2O-dens-pulse-5.inp -17.16699565 OK ( 1.54 sec) H2O-uks-dens-pulse-1.inp -17.16754063 OK ( 2.24 sec) H2O-uks-dens-pulse-2.inp -17.17094397 OK ( 2.24 sec) H2O-uks-dens-pulse-3.inp -17.17097877 OK ( 2.31 sec) H2O-uks-dens-pulse-4.inp -17.17778822 OK ( 1.96 sec) H2O-uks-dens-pulse-5.inp -17.16699568 OK ( 2.71 sec) H2O-charged-dens-pulse-1.inp -16.80277137 OK ( 2.90 sec) H2O-charged-dens-pulse-2.inp -16.80344506 OK ( 3.04 sec) H2O-charged-dens-pulse-3.inp -16.80402085 OK ( 2.88 sec) H2O-charged-dens-pulse-4.inp -16.81031776 OK ( 2.46 sec) H2O-charged-dens-pulse-5.inp -16.80215385 OK ( 2.47 sec) H2O-wfn-mix-dens-pulse-1.inp -16.80397943 OK ( 9.54 sec) H2O-mom-dens-pulse-1.inp -16.77310344 OK ( 4.55 sec) H2O-periodic-dens-pulse-1.inp -17.17071489 OK ( 2.17 sec) H2O-periodic-dens-pulse-2.inp -17.16724674 OK ( 2.21 sec) si8-smearing-rtp-dens.inp -31.02203456 OK ( 5.92 sec) si8-smearing-rtp-dens-pulse-1.inp -30.97735046 OK ( 5.97 sec) H2O-dens-restart.inp -17.17842705 OK ( 1.04 sec) H2O-uks-dens-restart.inp -17.17842705 OK ( 1.29 sec) H2O-charged-dens-restart.inp -16.81087707 OK ( 1.28 sec) H2O-periodic-dens-restart.inp -17.17819966 OK ( 1.24 sec) si8-smearing-rtp-dens-restart.inp -31.00986183 OK ( 2.97 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-rtp-5 (39 of 408) done in 71.13 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-3 h2o_f21.inp -17.18922104 WRONG RESULT ( 7.18 sec) h2o_f22.inp -17.20668131 WRONG RESULT ( 7.44 sec) h2o_f23.inp -16.71306916 WRONG RESULT ( 7.94 sec) h2o_f24.inp -17.20661895 WRONG RESULT ( 8.63 sec) h2o_f26.inp -16.75787198 WRONG RESULT ( 7.79 sec) h2o_f27.inp -16.75664927 WRONG RESULT ( 8.15 sec) h2o_f28.inp -16.74274298 WRONG RESULT ( 7.90 sec) h2o_f29.inp -17.20902976 WRONG RESULT ( 5.44 sec) h2o_f30.inp -17.20350715 WRONG RESULT ( 8.33 sec) h2o_f31.inp -17.21362922 OK ( 7.33 sec) h2o_f32.inp -17.21067506 WRONG RESULT ( 8.11 sec) h2o_f33.inp - RUNTIME FAIL ( 25.97 sec) h2o_f34.inp -16.89881027 WRONG RESULT ( 20.35 sec) h2o_f35.inp - RUNTIME FAIL ( 61.15 sec) h2o_f36.inp -16.48587932 WRONG RESULT ( 33.06 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-3 (40 of 408) done in 224.78 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force h2o_f01.inp -16.9707221 OK ( 6.97 sec) h2o_f02.inp -17.00582466 OK ( 5.10 sec) h2o_f03.inp -17.00548875 OK ( 6.42 sec) h2o_f04.inp -17.10679698 OK ( 5.30 sec) h2o_f05.inp -17.09136193 OK ( 6.29 sec) h2o_f06.inp -16.55487975 OK ( 5.82 sec) h2o_f07.inp -17.00806156 OK ( 6.01 sec) h2o_f08.inp -17.12526296 OK ( 4.93 sec) h2o_f09.inp -17.21975281 OK ( 5.79 sec) h2o_f10.inp -17.02954816 WRONG RESULT ( 8.17 sec) h2o_f10b.inp -17.08503475 WRONG RESULT ( 5.57 sec) h2o_tddfpt_newtonx.inp -17.22207884 OK ( 8.84 sec) h2o_statefollow.inp -17.23201552 OK ( 9.66 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force (41 of 408) done in 84.88 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-gpw-3 H+.inp 0.01842623371 OK ( 1.04 sec) H+.TI.inp 0.01842623371 OK ( 1.06 sec) He2H-.inp -0.6421958451 OK ( 0.95 sec) H+-bloechl.inp 0.01842328533 OK ( 0.96 sec) He2H-bloechl-md.inp -0.5385580772 OK ( 1.00 sec) He2H-bloechl.inp -0.3399844872 OK ( 0.85 sec) H2O-bloechl.inp -17.15579834 OK ( 1.85 sec) H2O-bloechl-Spl.inp -17.15578543 OK ( 1.82 sec) H2O-bloechl-restraint.inp -17.14839328 OK ( 1.95 sec) CN.inp 0.751382 OK ( 0.85 sec) rsgrid-dist-1.inp -1.71460241 OK ( 1.25 sec) 2H2O_bsse.inp -0.000221 OK ( 1.44 sec) 2H2O_bsse_r.inp -0.000221 OK ( 1.21 sec) 3H2O_bsse.inp -1.271011 OK ( 2.54 sec) 3H2O_bsse_multi_LIST.inp -1.271011 OK ( 2.21 sec) OH-H2O-bsse.inp -0.112213 OK ( 3.50 sec) H2O-langevin-1.inp -17.14549194 OK ( 1.14 sec) H2O-langevin-2.inp -17.14566019 OK ( 1.01 sec) H2O-ref-1.inp -17.14023455 OK ( 1.05 sec) H2O-ref-2.inp -17.14023456 OK ( 0.93 sec) H2O-ata.inp -17.14619628 OK ( 1.06 sec) CN-lowdin.inp 1 OK ( 0.89 sec) H-ROKS.inp -0.4743734409 OK ( 0.97 sec) N-ROKS.inp -9.728618982 OK ( 1.03 sec) O2-ROKS.inp -31.8628925 OK ( 1.69 sec) H+solv1.inp -0.1046040392 OK ( 1.47 sec) H2O-solv.inp -14.76967242 OK ( 1.53 sec) H2O-solv2.inp -14.76967242 OK ( 1.45 sec) H2O-xc_none.inp -13.34544294 OK ( 1.35 sec) dynamics.inp -15.53408184 OK ( 0.83 sec) CH3OH.inp - OK ( 0.89 sec) rsgrid-dist-2.inp -17.15330029 OK ( 1.21 sec) rsgrid-dist-3.inp -16.47649111 OK ( 1.69 sec) dynamics-2.inp -17.19699428 OK ( 1.42 sec) ghost_overlap.inp -17.10554013 OK ( 1.30 sec) ghost_overlap_vdw.inp -17.1056153 OK ( 1.31 sec) NO2-mulliken.inp 1 OK ( 1.45 sec) NO2-lowdin.inp 1 OK ( 1.26 sec) O2-UKS-GPW-relax_multip.inp -31.8650921 OK ( 1.01 sec) H2O-UKS-GPW-relax_multip.inp -17.15478069 OK ( 2.54 sec) O2-UKS-OTdiag-relax_multip.inp -31.8650921 OK ( 9.57 sec) CeO2.inp -64.41562845 OK ( 1.17 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-gpw-3 (42 of 408) done in 65.67 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-debug-6 h2o_check1.inp 0.9089276367 OK ( 2.42 sec) h2o_check2.inp 5.8e-07 OK ( 3.52 sec) h2o_dip40.inp - OK ( 7.43 sec) h2o_dip41.inp - OK ( 2.94 sec) h2o_dip42.inp - OK ( 3.05 sec) h2o_dip43.inp - OK ( 15.50 sec) ch2o_dip44.inp - OK ( 7.35 sec) ch2o_dip45.inp - OK ( 2.78 sec) ch2o_dip46.inp - OK ( 7.48 sec) ch2o_dip47.inp - OK ( 5.84 sec) h2o_xc_dip40.inp - OK ( 7.73 sec) h2o_xc_dip41.inp - OK ( 3.10 sec) h2o_xc_dip42.inp - OK ( 3.27 sec) h2o_xc_dip43.inp - OK ( 14.15 sec) ch2o_xc_dip44.inp - OK ( 7.95 sec) ch2o_xc_dip45.inp - OK ( 5.79 sec) ch2o_xc_dip46.inp - OK ( 8.28 sec) ch2o_xc_dip47.inp - OK ( 7.23 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-debug-6 (43 of 408) done in 115.80 sec >>> /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-as-1 h2_gapw_2-2.inp:E_total -1.127034819 OK ( 2.14 sec) h2_gapw_2-2.inp:M092 4.08763868 OK ( 2.14 sec) h2_gapw_2-3.inp:E_total -1.127034819 OK ( 2.49 sec) h2_gapw_2-3.inp:M092 6.34131299 OK ( 2.49 sec) h2_gapw_2-4.inp:E_total -1.127034819 OK ( 2.61 sec) h2_gapw_2-4.inp:M092 10.57998079 OK ( 2.61 sec) h2_gapw_pp_2-2.inp:E_total -1.126093432 OK ( 2.10 sec) h2_gapw_pp_2-2.inp:M092 4.08440576 OK ( 2.10 sec) h2_gapw_pp_2-3.inp:E_total -1.126093432 OK ( 2.13 sec) h2_gapw_pp_2-3.inp:M092 6.33491632 OK ( 2.13 sec) h2_gapw_pp_2-4.inp:E_total -1.126093432 OK ( 2.44 sec) h2_gapw_pp_2-4.inp:M092 10.58498318 OK ( 2.44 sec) h2_gpw_pp_2-2.inp:E_total -1.12622646 OK ( 2.00 sec) h2_gpw_pp_2-2.inp:M092 4.08481738 OK ( 2.00 sec) h2_gpw_pp_2-3.inp:E_total -1.12622646 OK ( 2.11 sec) h2_gpw_pp_2-3.inp:M092 6.33543946 OK ( 2.11 sec) h2_gpw_pp_2-4.inp:E_total -1.12622646 OK ( 2.27 sec) h2_gpw_pp_2-4.inp:M092 10.58533205 OK ( 2.27 sec) h2o_gapw_2-2.inp:E_total -76.01196126 WRONG RESULT ( 2.39 sec) h2o_gapw_2-2.inp:M092 77.48404064 WRONG RESULT ( 2.39 sec) ch2_gapw_2-3.inp:E_total -38.91915479 WRONG RESULT ( 3.94 sec) ch2_gapw_2-3.inp:M092 50.38797012 WRONG RESULT ( 3.94 sec) ch2_gapw_pp_2-3.inp:E_total -6.51646035 WRONG RESULT ( 4.03 sec) ch2_gapw_pp_2-3.inp:M092 17.95464325 WRONG RESULT ( 4.03 sec) ch2_gpw_pp_2-3.inp:E_total -6.516827393 WRONG RESULT ( 3.88 sec) ch2_gpw_pp_2-3.inp:M092 17.95531874 WRONG RESULT ( 3.88 sec) <<< /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-as-1 (44 of 408) done in 69.09 sec Got more than 50 errors, aborting... ------------------------------- Errors --------------------------------- xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-sf/h2o_pbe0_col.inp.out Spec: {'matcher': 'TDDFPT_excit_ener', 'tol': 0.001, 'ref': 11.73433} Difference too large: 6.71e+00 > 0.001, value: 90.45717. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-sf/h2o_pbe0_admm_pbex.inp.out Spec: {'matcher': 'TDDFPT_excit_ener', 'tol': 0.001, 'ref': 9.59331} Difference too large: 1.17e+00 > 0.001, value: 20.84348. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-sf/h2o_pbe0_admm_none.inp.out Spec: {'matcher': 'TDDFPT_excit_ener', 'tol': 0.001, 'ref': 9.7416} Difference too large: 1.16e+00 > 0.001, value: 21.02079. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-sf-force/h2o_pbe0_opt.inp.out Spec: {'matcher': 'E_total', 'tol': 1e-11, 'ref': -16.94121129393531} Difference too large: 2.93e+00 > 1e-11, value: -66.53486850218114. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-debug-5/h2o_dip37.inp.out Spec: {'matcher': 'M086', 'tol': 1e-05, 'ref': 0.147731573255} Difference too large: 4.55e-03 > 1e-05, value: 0.148403981227. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-debug-5/h2o_dip38.inp.out KERNEL| FULL FUNCTIONAL| PBE: FUNCTIONAL| J.P.Perdew, K.Burke, M.Ernzerhof, Phys. Rev. Letter, vol. 77, n 18, FUNCTIONAL| pp. 3865-3868, (1996)sx=0.750sc=1.000{spin unpolarized} KERNEL| ADMM Exact Exchange KERNEL| Apply ADMM Kernel XC KERNEL| Symmetric ADMM Kernel KERNEL| Spin symmetry of excitations Singlet TDDFPT| Number of states calculated 1 TDDFPT| Number of Davidson iterations 50 TDDFPT| Davidson iteration convergence 0.367E-08 TDDFPT| Max. number of Krylov space vectors 5000 TDDFPT| Molecular Orbitals: Spin AOs Occ Virt Total TDDFPT| 1 23 4 19 23 ------------------------------------------------------------------------------- - TDDFPT Initial Guess - ------------------------------------------------------------------------------- State Occupied -> Virtual Excitation number orbital orbital energy (eV) ------------------------------------------------------------------------------- 1 4 5 11.49012 Number of active states: 76 ------------------------------------------------------------------------------- ------------------------------------------------------------------------------- - TDDFPT WAVEFUNCTION OPTIMIZATION - ------------------------------------------------------------------------------- Step Time Convergence Conv. states ------------------------------------------------------------------------------- 1 0.1 7.3913E-02 0 2 0.1 1.9561E-03 0 3 0.1 6.6619E-05 0 4 0.1 2.4645E-07 0 5 0.1 1.2730E-09 1 ------------------------------------------------------------------------------- - TDDFPT run converged in 5 iteration(s) ------------------------------------------------------------------------------- R-TDDFPT states of multiplicity 1 Transition dipoles calculated using velocity formulation State Excitation Transition dipole (a.u.) Oscillator number energy (eV) x y z strength (a.u.) ------------------------------------------------------------------------ TDDFPT| 1 9.42381 4.8097E-01 -1.8693E-04 -8.2585E-05 5.34098E-02 TDDFPT : CheckSum = 0.346319E+00 ------------------------------------------------------------------------------- - Excitation analysis - ------------------------------------------------------------------------------- State Occupied Virtual Excitation number orbital orbital amplitude ------------------------------------------------------------------------------- 1 9.42381 eV 4 5 0.999016 ------------------------------------------------------------------------------- Ground state orbital alignment: 1.000000[MinVal] 1.000000[Average] Excitation vector alignment: 1.000000 Calculate properties for state: 1 with excitation energy 9.42381 eV !--------------------------- Excited State Energy ----------------------------! Results for Excited State Nr. 1 Excitation Energy [Hartree] 0.3463188395 Total Energy [Hartree] -16.8968613733 !-----------------------------------------------------------------------------! ENERGY| Total FORCE_EVAL ( QS ) energy [hartree] -16.896861373302077 DEBUG|========================= DIPOLE MOMENTS ================================ DEBUG| Coordinate D(numerical) D(analytical) Difference Error [%] DEBUG| x -0.00001263 -0.00003340 -0.208E-04 62.187 DEBUG| y -0.00040425 -0.00045529 -0.510E-04 11.211 DEBUG| z -0.15808567 -0.15812634 -0.407E-04 0.026 DEBUG|========================================================================= DIPOLE : CheckSum = -0.158615025735E+00 ******************************************************************************* * ___ * * / \ * * [ABORT] A mismatch between analytical and numerical dipoles has been * * \___/ detected. Check the implementation of the analytical dipole * * | calculation * * O/| * * /| | * * / \ cp2k_debug.F:479 * ******************************************************************************* ===== Routine Calling Stack ===== 1 CP2K Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL STOP 1 Runtime failure with code 1. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-gapw/ft1.inp.out Number of active states: 180 ------------------------------------------------------------------------------- ------------------------------------------------------------------------------- - TDDFPT WAVEFUNCTION OPTIMIZATION - ------------------------------------------------------------------------------- Step Time Convergence Conv. states ------------------------------------------------------------------------------- *** WARNING in pw/ps_wavelet_methods.F:238 :: Density non-zero on the *** *** edges of the unit cell: wrong results in WAVELET solver *** 1 0.1 9.0314E-02 0 *** WARNING in pw/ps_wavelet_methods.F:238 :: Density non-zero on the *** *** edges of the unit cell: wrong results in WAVELET solver *** 2 0.1 1.9356E-03 0 *** WARNING in pw/ps_wavelet_methods.F:238 :: Density non-zero on the *** *** edges of the unit cell: wrong results in WAVELET solver *** 3 0.1 3.8320E-05 0 *** WARNING in pw/ps_wavelet_methods.F:238 :: Density non-zero on the *** *** edges of the unit cell: wrong results in WAVELET solver *** 4 0.1 5.9634E-07 0 *** WARNING in pw/ps_wavelet_methods.F:238 :: Density non-zero on the *** *** edges of the unit cell: wrong results in WAVELET solver *** 5 0.1 1.0893E-07 0 *** WARNING in pw/ps_wavelet_methods.F:238 :: Density non-zero on the *** *** edges of the unit cell: wrong results in WAVELET solver *** 6 0.1 8.3108E-10 1 ------------------------------------------------------------------------------- - TDDFPT run converged in 6 iteration(s) ------------------------------------------------------------------------------- R-TDDFPT states of multiplicity 1 Transition dipoles calculated using velocity formulation State Excitation Transition dipole (a.u.) Oscillator number energy (eV) x y z strength (a.u.) ------------------------------------------------------------------------ TDDFPT| 1 4.11072 -8.2583E-04 -4.3029E-04 2.8871E-04 9.57257E-08 TDDFPT : CheckSum = 0.151066E+00 ------------------------------------------------------------------------------- - Excitation analysis - ------------------------------------------------------------------------------- State Occupied Virtual Excitation number orbital orbital amplitude ------------------------------------------------------------------------------- 1 4.11072 eV 6 7 0.998183 ------------------------------------------------------------------------------- Ground state orbital alignment: 1.000000[MinVal] 1.000000[Average] Excitation vector alignment: 1.000000 Calculate properties for state: 1 with excitation energy 4.11072 eV !--------------------------- Excited State Energy ----------------------------! Results for Excited State Nr. 1 Excitation Energy [Hartree] 0.1510662744 Total Energy [Hartree] -22.7679275492 !-----------------------------------------------------------------------------! ENERGY| Total FORCE_EVAL ( QS ) energy [hartree] -22.767927549207670 DEBUG| Atom E(z + 0.0010) E(z - 0.0010) f(numerical) f(analytical) DEBUG| 1 -22.76758965 -22.76792755 -0.16894719 -0.16885881 DEBUG| Atom Coordinate f(numerical) f(analytical) Difference Error [%] DEBUG| 1 z -0.16894719 -0.16885881 0.00008838 0.05 ******************************************************************************* * ___ * * / \ * * [ABORT] A mismatch between analytical and numerical forces has been * * \___/ detected. Check the implementation of the analytical force * * | calculation * * O/| * * /| | * * / \ cp2k_debug.F:375 * ******************************************************************************* ===== Routine Calling Stack ===== 1 CP2K Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL STOP 1 Runtime failure with code 1. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-gapw/ft2.inp.out ** ** ******************************************************************************* KERNEL| FULL FUNCTIONAL| PBE: FUNCTIONAL| J.P.Perdew, K.Burke, M.Ernzerhof, Phys. Rev. Letter, vol. 77, n 18, FUNCTIONAL| pp. 3865-3868, (1996)sx=0.750sc=1.000{spin unpolarized} KERNEL| ADMM Exact Exchange KERNEL| Symmetric ADMM Kernel KERNEL| Spin symmetry of excitations Singlet TDDFPT| Number of states calculated 1 TDDFPT| Number of Davidson iterations 50 TDDFPT| Davidson iteration convergence 0.367E-07 TDDFPT| Max. number of Krylov space vectors 5000 TDDFPT| Molecular Orbitals: Spin AOs Occ Virt Total TDDFPT| 1 36 6 30 36 ------------------------------------------------------------------------------- - TDDFPT Initial Guess - ------------------------------------------------------------------------------- State Occupied -> Virtual Excitation number orbital orbital energy (eV) ------------------------------------------------------------------------------- 1 6 7 6.56764 Number of active states: 180 ------------------------------------------------------------------------------- ------------------------------------------------------------------------------- - TDDFPT WAVEFUNCTION OPTIMIZATION - ------------------------------------------------------------------------------- Step Time Convergence Conv. states ------------------------------------------------------------------------------- 1 0.1 9.1373E-02 0 2 0.1 1.9683E-03 0 3 0.1 3.8337E-05 0 4 0.1 6.3205E-07 0 5 0.1 5.0846E-08 0 6 0.1 8.2309E-10 1 ------------------------------------------------------------------------------- - TDDFPT run converged in 6 iteration(s) ------------------------------------------------------------------------------- R-TDDFPT states of multiplicity 1 Transition dipoles calculated using velocity formulation State Excitation Transition dipole (a.u.) Oscillator number energy (eV) x y z strength (a.u.) ------------------------------------------------------------------------ TDDFPT| 1 4.02662 -3.6562E-04 -3.3658E-04 2.6053E-04 3.10589E-08 TDDFPT : CheckSum = 0.147976E+00 ------------------------------------------------------------------------------- - Excitation analysis - ------------------------------------------------------------------------------- State Occupied Virtual Excitation number orbital orbital amplitude ------------------------------------------------------------------------------- 1 4.02662 eV 6 7 0.998303 ------------------------------------------------------------------------------- Ground state orbital alignment: 1.000000[MinVal] 1.000000[Average] Excitation vector alignment: 1.000000 Calculate properties for state: 1 with excitation energy 4.02662 eV !--------------------------- Excited State Energy ----------------------------! Results for Excited State Nr. 1 Excitation Energy [Hartree] 0.1479757087 Total Energy [Hartree] -22.7136731259 !-----------------------------------------------------------------------------! ENERGY| Total FORCE_EVAL ( QS ) energy [hartree] -22.713673125862563 DEBUG| Atom E(z + 0.0010) E(z - 0.0010) f(numerical) f(analytical) DEBUG| 1 -22.71342978 -22.71367313 -0.12167271 -0.12157375 DEBUG| Atom Coordinate f(numerical) f(analytical) Difference Error [%] DEBUG| 1 z -0.12167271 -0.12157375 0.00009896 0.08 ******************************************************************************* * ___ * * / \ * * [ABORT] A mismatch between analytical and numerical forces has been * * \___/ detected. Check the implementation of the analytical force * * | calculation * * O/| * * /| | * * / \ cp2k_debug.F:375 * ******************************************************************************* ===== Routine Calling Stack ===== 1 CP2K Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL STOP 1 Runtime failure with code 1. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-gapw/ft3.inp.out ******************************************************************************* KERNEL| FULL FUNCTIONAL| PBE: FUNCTIONAL| J.P.Perdew, K.Burke, M.Ernzerhof, Phys. Rev. Letter, vol. 77, n 18, FUNCTIONAL| pp. 3865-3868, (1996)sx=0.750sc=1.000{spin unpolarized} KERNEL| ADMM Exact Exchange KERNEL| Apply ADMM Kernel XC KERNEL| Symmetric ADMM Kernel KERNEL| Spin symmetry of excitations Singlet TDDFPT| Number of states calculated 1 TDDFPT| Number of Davidson iterations 50 TDDFPT| Davidson iteration convergence 0.367E-07 TDDFPT| Max. number of Krylov space vectors 5000 TDDFPT| Molecular Orbitals: Spin AOs Occ Virt Total TDDFPT| 1 36 6 30 36 ------------------------------------------------------------------------------- - TDDFPT Initial Guess - ------------------------------------------------------------------------------- State Occupied -> Virtual Excitation number orbital orbital energy (eV) ------------------------------------------------------------------------------- 1 6 7 6.58493 Number of active states: 180 ------------------------------------------------------------------------------- ------------------------------------------------------------------------------- - TDDFPT WAVEFUNCTION OPTIMIZATION - ------------------------------------------------------------------------------- Step Time Convergence Conv. states ------------------------------------------------------------------------------- 1 0.1 9.1274E-02 0 2 0.1 1.7808E-03 0 3 0.1 3.1179E-05 0 4 0.1 5.2377E-07 0 5 0.1 6.5045E-08 0 6 0.1 4.2388E-10 1 ------------------------------------------------------------------------------- - TDDFPT run converged in 6 iteration(s) ------------------------------------------------------------------------------- R-TDDFPT states of multiplicity 1 Transition dipoles calculated using velocity formulation State Excitation Transition dipole (a.u.) Oscillator number energy (eV) x y z strength (a.u.) ------------------------------------------------------------------------ TDDFPT| 1 4.05192 -3.7517E-04 -3.5461E-04 2.6435E-04 3.33926E-08 TDDFPT : CheckSum = 0.148905E+00 ------------------------------------------------------------------------------- - Excitation analysis - ------------------------------------------------------------------------------- State Occupied Virtual Excitation number orbital orbital amplitude ------------------------------------------------------------------------------- 1 4.05192 eV 6 7 0.998323 ------------------------------------------------------------------------------- Ground state orbital alignment: 1.000000[MinVal] 1.000000[Average] Excitation vector alignment: 1.000000 Calculate properties for state: 1 with excitation energy 4.05192 eV !--------------------------- Excited State Energy ----------------------------! Results for Excited State Nr. 1 Excitation Energy [Hartree] 0.1489053261 Total Energy [Hartree] -22.7354508678 !-----------------------------------------------------------------------------! ENERGY| Total FORCE_EVAL ( QS ) energy [hartree] -22.735450867839720 DEBUG| Atom E(z + 0.0010) E(z - 0.0010) f(numerical) f(analytical) DEBUG| 1 -22.73515723 -22.73545087 -0.14681884 -0.14669935 DEBUG| Atom Coordinate f(numerical) f(analytical) Difference Error [%] DEBUG| 1 z -0.14681884 -0.14669935 0.00011950 0.08 ******************************************************************************* * ___ * * / \ * * [ABORT] A mismatch between analytical and numerical forces has been * * \___/ detected. Check the implementation of the analytical force * * | calculation * * O/| * * /| | * * / \ cp2k_debug.F:375 * ******************************************************************************* ===== Routine Calling Stack ===== 1 CP2K Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL STOP 1 Runtime failure with code 1. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-4/test03.inp.out eps_taylor : 0.10000E-15 max_taylor : 4 ----------------------------------- OT --------------------------------------- Step Update method Time Convergence Total energy Change ------------------------------------------------------------------------------ 1 OT DIIS 0.80E-01 0.1 4.31485138 -86.1092085848 -5.70E+01 2 OT SD 0.80E-01 0.0 8.87931040 -89.8176355810 -3.71E+00 3 OT DIIS 0.80E-01 0.0 4.53315055 -107.6239100405 -1.78E+01 4 OT DIIS 0.80E-01 0.0 9.44400385 -126.1304338231 -1.85E+01 5 OT DIIS 0.80E-01 0.0 1.57543421 -106.2096493008 1.99E+01 6 OT SD 0.80E-01 0.0 0.98409609 -108.2792658554 -2.07E+00 7 OT DIIS 0.80E-01 0.0 1.89179627 -109.4009647251 -1.12E+00 8 OT DIIS 0.80E-01 0.1 1.12635131 -109.2933909887 1.08E-01 9 OT DIIS 0.80E-01 0.0 0.93488105 -113.1165045625 -3.82E+00 10 OT DIIS 0.80E-01 0.0 0.81451859 -113.1837796654 -6.73E-02 11 OT DIIS 0.80E-01 0.0 0.93467601 -113.4337461310 -2.50E-01 12 OT DIIS 0.80E-01 0.0 1.07743205 -112.0851907295 1.35E+00 13 OT SD 0.80E-01 0.0 0.28632154 -111.8040136009 2.81E-01 14 OT SD 0.80E-01 0.0 0.28719516 -112.2246669540 -4.21E-01 15 OT SD 0.80E-01 0.0 0.39725480 -112.6004019697 -3.76E-01 16 OT SD 0.80E-01 0.0 0.67892357 -112.8194792658 -2.19E-01 17 OT SD 0.80E-01 0.0 1.41974412 -112.5725266658 2.47E-01 18 OT SD 0.80E-01 0.0 1.90855528 -115.3286648494 -2.76E+00 19 OT SD 0.80E-01 0.0 4.31134593 -150.5484722043 -3.52E+01 20 OT DIIS 0.80E-01 0.0 2.20324934 -67.4712585782 8.31E+01 21 OT SD 0.80E-01 0.0 1.04119691 -111.7314304910 -4.43E+01 22 OT DIIS 0.80E-01 0.0 3.01210851 -108.3105386759 3.42E+00 23 OT DIIS 0.80E-01 0.0 0.65559793 -110.8303224959 -2.52E+00 24 OT DIIS 0.80E-01 0.0 1.72071037 -109.4413702635 1.39E+00 25 OT SD 0.80E-01 0.0 1.42862682 -110.3097237174 -8.68E-01 26 OT DIIS 0.80E-01 0.0 5.77888729 -95.2993589288 1.50E+01 27 OT DIIS 0.80E-01 0.0 1.49572496 -110.1401718104 -1.48E+01 28 OT DIIS 0.80E-01 0.1 1.02969868 -110.3332523003 -1.93E-01 29 OT SD 0.80E-01 0.0 0.89177643 -110.7153714116 -3.82E-01 30 OT DIIS 0.80E-01 0.0 2.62481915 -104.6597170849 6.06E+00 31 OT SD 0.80E-01 0.0 1.07603137 -110.0662460860 -5.41E+00 32 OT DIIS 0.80E-01 0.0 3.15993377 -100.1762868366 9.89E+00 33 OT DIIS 0.80E-01 0.0 0.43453465 -110.5004352783 -1.03E+01 34 OT DIIS 0.80E-01 0.0 0.42064034 -110.5055461271 -5.11E-03 35 OT SD 0.80E-01 0.0 0.76868957 -110.9557610504 -4.50E-01 36 OT DIIS 0.80E-01 0.0 2.60353969 -106.0210790400 4.93E+00 37 OT SD 0.80E-01 0.0 0.71715549 -110.8160882375 -4.80E+00 38 OT DIIS 0.80E-01 0.0 2.96398075 -105.5522720472 5.26E+00 39 OT DIIS 0.80E-01 0.0 0.99398181 -110.8578765440 -5.31E+00 40 OT SD 0.80E-01 0.0 0.94349616 -110.6691491004 1.89E-01 41 OT DIIS 0.80E-01 0.0 5.97113193 -97.6758156890 1.30E+01 42 OT SD 0.80E-01 0.0 0.42567178 -110.6468409017 -1.30E+01 43 OT DIIS 0.80E-01 0.0 1.73957184 -109.2467106981 1.40E+00 44 OT SD 0.80E-01 0.0 0.78992604 -110.4224410447 -1.18E+00 45 OT DIIS 0.80E-01 0.0 2.86974255 -104.7264491581 5.70E+00 46 OT SD 0.80E-01 0.0 1.11602831 -110.2651319058 -5.54E+00 47 OT DIIS 0.80E-01 0.0 2.92963421 -100.3979473360 9.87E+00 48 OT SD 0.80E-01 0.0 1.28141302 -109.9655758374 -9.57E+00 49 OT DIIS 0.80E-01 0.0 2.56549518 -98.9588599026 1.10E+01 50 OT SD 0.80E-01 0.0 1.17678949 -110.6724035390 -1.17E+01 Leaving inner SCF loop after reaching 50 steps. Electronic density on regular grids: -7.9999978270 0.0000021730 Core density on regular grids: 8.0000000419 0.0000000419 Total charge density on r-space grids: 0.0000022150 Total charge density g-space grids: 0.0000022150 Overlap energy of the core charge distribution: 0.00000009823522 Self energy of the core charge distribution: -43.83289054591484 Core Hamiltonian energy: 21.80542290901782 Hartree energy: 17.92298380722200 Exchange-correlation energy: -3.40001247146094 Hartree-Fock Exchange energy: -103.16790733612022 Total energy: -110.67240353902096 outer SCF iter = 11 RMS gradient = 0.12E+01 energy = -110.6724035390 outer SCF loop FAILED to converge after 11 iterations or 550 steps ******************************************************************************* * ___ * * / \ * * [ABORT] * * \___/ SCF run NOT converged. To continue the calculation regardless, * * | please set the keyword IGNORE_CONVERGENCE_FAILURE. * * O/| * * /| | * * / \ qs_scf.F:642 * ******************************************************************************* ===== Routine Calling Stack ===== 4 scf_env_do_scf 3 qs_energies 2 qs_forces 1 CP2K Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL STOP 1 Runtime failure with code 1. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-4/test04.inp.out Spec: {'matcher': 'M037', 'tol': 5e-06, 'ref': 1.02641} Difference too large: 3.60e-04 > 5e-06, value: 1.02678. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-4/test05.inp.out eps_taylor : 0.10000E-15 max_taylor : 4 ----------------------------------- OT --------------------------------------- Step Update method Time Convergence Total energy Change ------------------------------------------------------------------------------ 1 OT DIIS 0.80E-01 0.1 3.36007280 -45.8755548709 1.53E+01 2 OT DIIS 0.80E-01 0.1 3.66309653 -48.1910487245 -2.32E+00 3 OT DIIS 0.80E-01 0.1 1.12216877 -70.3497127098 -2.22E+01 4 OT SD 0.80E-01 0.1 1.22804235 -71.9043364756 -1.55E+00 5 OT SD 0.80E-01 0.1 1.51799305 -81.2145315584 -9.31E+00 6 OT SD 0.80E-01 0.1 1.26492032 -92.7525695839 -1.15E+01 7 OT SD 0.80E-01 0.1 0.79599263 -99.8291168168 -7.08E+00 8 OT DIIS 0.80E-01 0.1 0.46489798 -102.4853933109 -2.66E+00 9 OT SD 0.80E-01 0.1 1.39271760 -99.4250743227 3.06E+00 10 OT DIIS 0.80E-01 0.1 1.64047284 -100.6651215321 -1.24E+00 11 OT DIIS 0.80E-01 0.1 0.54501786 -103.4394705018 -2.77E+00 12 OT DIIS 0.80E-01 0.1 0.34576139 -103.5810409198 -1.42E-01 13 OT DIIS 0.80E-01 0.1 0.07992324 -103.9011384732 -3.20E-01 14 OT DIIS 0.80E-01 0.1 0.06435221 -103.9423317069 -4.12E-02 15 OT DIIS 0.80E-01 0.1 0.06430247 -103.9658906865 -2.36E-02 16 OT DIIS 0.80E-01 0.1 0.05784433 -104.0144704426 -4.86E-02 17 OT DIIS 0.80E-01 0.1 0.08931212 -104.1911867720 -1.77E-01 18 OT DIIS 0.80E-01 0.1 0.04693682 -104.2003912588 -9.20E-03 19 OT DIIS 0.80E-01 0.1 0.03461604 -104.2363748255 -3.60E-02 20 OT DIIS 0.80E-01 0.1 0.03700220 -104.2751258592 -3.88E-02 21 OT DIIS 0.80E-01 0.1 0.04869074 -104.3066134630 -3.15E-02 22 OT DIIS 0.80E-01 0.1 0.03599169 -104.3110106060 -4.40E-03 23 OT DIIS 0.80E-01 0.1 0.06264420 -104.3291045676 -1.81E-02 24 OT DIIS 0.80E-01 0.1 0.02635923 -104.3674708883 -3.84E-02 25 OT DIIS 0.80E-01 0.1 0.02620705 -104.3964412972 -2.90E-02 26 OT DIIS 0.80E-01 0.1 0.02622229 -104.4072325750 -1.08E-02 27 OT DIIS 0.80E-01 0.1 0.02366927 -104.4287536295 -2.15E-02 28 OT DIIS 0.80E-01 0.1 0.02306011 -104.4487767436 -2.00E-02 29 OT DIIS 0.80E-01 0.1 0.02210790 -104.4825450148 -3.38E-02 30 OT DIIS 0.80E-01 0.1 0.02148359 -104.4969106179 -1.44E-02 31 OT DIIS 0.80E-01 0.1 0.02083387 -104.5245479023 -2.76E-02 32 OT DIIS 0.80E-01 0.1 0.02092311 -104.5421525149 -1.76E-02 33 OT DIIS 0.80E-01 0.1 0.02006301 -104.5598752176 -1.77E-02 34 OT DIIS 0.80E-01 0.1 0.01916222 -104.5768957467 -1.70E-02 35 OT DIIS 0.80E-01 0.1 0.01854931 -104.5977643689 -2.09E-02 36 OT DIIS 0.80E-01 0.1 0.01799230 -104.6331723435 -3.54E-02 37 OT DIIS 0.80E-01 0.1 0.01744929 -104.6382720639 -5.10E-03 38 OT SD 0.80E-01 0.1 0.01709726 -104.6498160074 -1.15E-02 39 OT DIIS 0.80E-01 0.1 0.01679596 -104.6513510122 -1.54E-03 40 OT DIIS 0.80E-01 0.1 0.01973738 -104.6556705668 -4.32E-03 41 OT DIIS 0.80E-01 0.1 0.01593237 -104.6736250014 -1.80E-02 42 OT DIIS 0.80E-01 0.1 0.01458677 -104.7014569063 -2.78E-02 43 OT DIIS 0.80E-01 0.1 0.01605174 -104.7297443383 -2.83E-02 44 OT DIIS 0.80E-01 0.1 0.01569190 -104.7307283875 -9.84E-04 45 OT DIIS 0.80E-01 0.1 0.01324599 -104.7382596769 -7.53E-03 46 OT DIIS 0.80E-01 0.1 0.03107665 -104.7435261222 -5.27E-03 47 OT DIIS 0.80E-01 0.1 0.02081683 -104.7554347365 -1.19E-02 48 OT SD 0.80E-01 0.1 0.01693105 -104.7643019442 -8.87E-03 49 OT SD 0.80E-01 0.1 0.01344403 -104.7654770293 -1.18E-03 50 OT SD 0.80E-01 0.1 0.01524788 -104.7662175709 -7.41E-04 Leaving inner SCF loop after reaching 50 steps. Electronic density on regular grids: -7.9999975623 0.0000024377 Core density on regular grids: 8.0000000419 0.0000000419 Total charge density on r-space grids: 0.0000024796 Total charge density g-space grids: 0.0000024796 Overlap energy of the core charge distribution: 0.00000009823522 Self energy of the core charge distribution: -43.83289054591484 Core Hamiltonian energy: 20.61965790410164 Hartree energy: 18.27109563274002 Exchange-correlation energy: -3.53316471342905 Hartree-Fock Exchange energy: -96.29091594667696 Total energy: -104.76621757094395 outer SCF iter = 11 RMS gradient = 0.15E-01 energy = -104.7662175709 outer SCF loop FAILED to converge after 11 iterations or 550 steps ******************************************************************************* * ___ * * / \ * * [ABORT] * * \___/ SCF run NOT converged. To continue the calculation regardless, * * | please set the keyword IGNORE_CONVERGENCE_FAILURE. * * O/| * * /| | * * / \ qs_scf.F:642 * ******************************************************************************* ===== Routine Calling Stack ===== 4 scf_env_do_scf 3 qs_energies 2 qs_forces 1 CP2K Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL STOP 1 Runtime failure with code 1. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-4/test06.inp.out Spec: {'matcher': 'M037', 'tol': 5e-06, 'ref': 1.02171} Difference too large: 5.56e-03 > 5e-06, value: 1.01603. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-4/test07.inp.out Spec: {'matcher': 'M037', 'tol': 5e-06, 'ref': 1.01792} Difference too large: 9.82e-06 > 5e-06, value: 1.01791. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-4/test08.inp.out Spec: {'matcher': 'M037', 'tol': 5e-06, 'ref': 1.0312} Difference too large: 4.53e-01 > 5e-06, value: 1.49807. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-4/test11.inp.out Spec: {'matcher': 'M037', 'tol': 5e-06, 'ref': 1.05541} Difference too large: 3.70e-04 > 5e-06, value: 1.0558. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-4/test13.inp.out Spec: {'matcher': 'M037', 'tol': 5e-06, 'ref': 1.05541} Difference too large: 3.70e-04 > 5e-06, value: 1.0558. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-4/test15.inp.out Spec: {'matcher': 'M037', 'tol': 5e-06, 'ref': 1.09231} Difference too large: 9.15e-06 > 5e-06, value: 1.09232. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-4/test18.inp.out Spec: {'matcher': 'M037', 'tol': 5e-06, 'ref': 1.6967} Difference too large: 2.48e-04 > 5e-06, value: 1.69628. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-4/test19.inp.out Spec: {'matcher': 'M037', 'tol': 5e-06, 'ref': 1.21034} Difference too large: 2.23e-04 > 5e-06, value: 1.21061. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-4/test21.inp.out Spec: {'matcher': 'M037', 'tol': 5e-06, 'ref': 1.05522} Difference too large: 3.79e-04 > 5e-06, value: 1.05562. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-4/test22.inp.out Spec: {'matcher': 'M037', 'tol': 5e-06, 'ref': 1.09138} Difference too large: 9.16e-06 > 5e-06, value: 1.09139. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-debug-7/ch2o_gapw_t3.inp.out Spec: {'matcher': 'M087', 'tol': 1e-05, 'ref': 51.4019909196} Difference too large: 1.27e-05 > 1e-05, value: 51.4026420248. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-debug-7/ch2o_gapw_t4.inp.out Spec: {'matcher': 'M087', 'tol': 1e-05, 'ref': 50.9623579715} Difference too large: 4.40e-04 > 1e-05, value: 50.9847642416. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-debug-7/h2o_gapw_t5.inp.out Spec: {'matcher': 'M087', 'tol': 1e-05, 'ref': 10.7325591393} Difference too large: 3.89e-04 > 1e-05, value: 10.7283886811. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-debug-7/h2o_gapw_t7.inp.out Spec: {'matcher': 'M087', 'tol': 1e-05, 'ref': 9.9903398886} Difference too large: 1.58e-04 > 1e-05, value: 9.98876548581. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-debug-7/ch2o_gapw_xc_t4.inp.out Spec: {'matcher': 'M087', 'tol': 1e-05, 'ref': 50.958864864} Difference too large: 4.40e-04 > 1e-05, value: 50.9812801008. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-debug-7/h2o_gapw_xc_t5.inp.out Spec: {'matcher': 'M087', 'tol': 1e-05, 'ref': 10.8004306906} Difference too large: 3.80e-04 > 1e-05, value: 10.7963314853. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-debug-7/h2o_gapw_xc_t6.inp.out Spec: {'matcher': 'M087', 'tol': 1e-05, 'ref': 9.9378153567} Difference too large: 1.85e-04 > 1e-05, value: 9.9359723416. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-3/h2o_f21.inp.out Spec: {'matcher': 'E_total', 'tol': 5e-11, 'ref': -17.18917902766572} Difference too large: 2.44e-06 > 5e-11, value: -17.18922104375379. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-3/h2o_f22.inp.out Spec: {'matcher': 'E_total', 'tol': 5e-11, 'ref': -17.20665851512851} Difference too large: 1.32e-06 > 5e-11, value: -17.20668130654047. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-3/h2o_f23.inp.out Spec: {'matcher': 'E_total', 'tol': 1e-11, 'ref': -16.71305486189607} Difference too large: 8.56e-07 > 1e-11, value: -16.71306916457577. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-3/h2o_f24.inp.out Spec: {'matcher': 'E_total', 'tol': 1e-11, 'ref': -17.20659624551764} Difference too large: 1.32e-06 > 1e-11, value: -17.2066189510816. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-3/h2o_f26.inp.out Spec: {'matcher': 'E_total', 'tol': 5e-11, 'ref': -16.75786293655539} Difference too large: 5.40e-07 > 5e-11, value: -16.75787197796283. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-3/h2o_f27.inp.out Spec: {'matcher': 'E_total', 'tol': 5e-11, 'ref': -16.75663934879697} Difference too large: 5.92e-07 > 5e-11, value: -16.75664926670129. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-3/h2o_f28.inp.out Spec: {'matcher': 'E_total', 'tol': 5e-11, 'ref': -16.74272726322907} Difference too large: 9.39e-07 > 5e-11, value: -16.7427429848046. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-3/h2o_f29.inp.out Spec: {'matcher': 'E_total', 'tol': 5e-11, 'ref': -17.20900690890817} Difference too large: 1.33e-06 > 5e-11, value: -17.20902976385971. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-3/h2o_f30.inp.out Spec: {'matcher': 'E_total', 'tol': 1e-11, 'ref': -17.20340628433597} Difference too large: 5.86e-06 > 1e-11, value: -17.20350715263918. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-3/h2o_f32.inp.out Spec: {'matcher': 'E_total', 'tol': 1e-11, 'ref': -17.2106786316894} Difference too large: 2.07e-07 > 1e-11, value: -17.21067506409038. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-3/h2o_f33.inp.out Step Update method Time Convergence Total energy Change ------------------------------------------------------------------------------ 1 OT DIIS 0.80E-01 0.2 0.70383762 -20.4298245052 6.50E-01 2 OT DIIS 0.80E-01 0.0 0.96019549 -21.0860314750 -6.56E-01 3 OT DIIS 0.80E-01 0.0 0.31207421 -21.0224337177 6.36E-02 4 OT DIIS 0.80E-01 0.0 0.32653209 -20.5843383861 4.38E-01 5 OT DIIS 0.80E-01 0.0 0.16000698 -20.7328933781 -1.49E-01 6 OT DIIS 0.80E-01 0.0 0.12427779 -20.6773751362 5.55E-02 7 OT DIIS 0.80E-01 0.0 0.10501834 -20.6899085322 -1.25E-02 8 OT DIIS 0.80E-01 0.0 0.09556601 -20.7166930518 -2.68E-02 9 OT DIIS 0.80E-01 0.0 0.07931616 -20.6466307910 7.01E-02 10 OT DIIS 0.80E-01 0.0 0.06079729 -20.6112897503 3.53E-02 11 OT DIIS 0.80E-01 0.1 0.07986651 -20.4366319761 1.75E-01 12 OT DIIS 0.80E-01 0.1 0.06924313 -20.4722213958 -3.56E-02 13 OT DIIS 0.80E-01 0.0 0.05196166 -20.4495730243 2.26E-02 14 OT DIIS 0.80E-01 0.0 0.03845733 -20.3885467080 6.10E-02 15 OT DIIS 0.80E-01 0.0 0.02663854 -20.3454410603 4.31E-02 16 OT DIIS 0.80E-01 0.0 0.01842759 -20.3314900922 1.40E-02 17 OT DIIS 0.80E-01 0.0 0.01137311 -20.2957334706 3.58E-02 18 OT DIIS 0.80E-01 0.0 0.00937675 -20.2903385891 5.39E-03 19 OT DIIS 0.80E-01 0.0 0.00687850 -20.2842618873 6.08E-03 20 OT DIIS 0.80E-01 0.0 0.00576364 -20.2828037961 1.46E-03 21 OT DIIS 0.80E-01 0.0 0.00414543 -20.2770306987 5.77E-03 22 OT DIIS 0.80E-01 0.0 0.00343203 -20.2755970328 1.43E-03 23 OT DIIS 0.80E-01 0.0 0.00258815 -20.2801476202 -4.55E-03 24 OT DIIS 0.80E-01 0.0 0.00190377 -20.2825219164 -2.37E-03 25 OT DIIS 0.80E-01 0.0 0.00156718 -20.2841717971 -1.65E-03 26 OT DIIS 0.80E-01 0.0 0.00117296 -20.2842321973 -6.04E-05 27 OT DIIS 0.80E-01 0.0 0.00104533 -20.2833147532 9.17E-04 28 OT DIIS 0.80E-01 0.0 0.00096413 -20.2826620683 6.53E-04 29 OT DIIS 0.80E-01 0.0 0.00087356 -20.2808796033 1.78E-03 30 OT DIIS 0.80E-01 0.0 0.00075512 -20.2785874906 2.29E-03 31 OT DIIS 0.80E-01 0.0 0.00063701 -20.2775257440 1.06E-03 32 OT DIIS 0.80E-01 0.0 0.00050862 -20.2756361783 1.89E-03 33 OT DIIS 0.80E-01 0.0 0.00034223 -20.2742377357 1.40E-03 34 OT DIIS 0.80E-01 0.1 0.00023799 -20.2729517657 1.29E-03 35 OT DIIS 0.80E-01 0.0 0.00018935 -20.2725991917 3.53E-04 36 OT DIIS 0.80E-01 0.0 0.00018500 -20.2721006049 4.99E-04 37 OT DIIS 0.80E-01 0.0 0.00014353 -20.2719654959 1.35E-04 38 OT DIIS 0.80E-01 0.0 0.00010974 -20.2718561678 1.09E-04 39 OT DIIS 0.80E-01 0.0 0.00009701 -20.2719533159 -9.71E-05 40 OT DIIS 0.80E-01 0.0 0.00006917 -20.2718872445 6.61E-05 41 OT DIIS 0.80E-01 0.0 0.00005777 -20.2719415503 -5.43E-05 42 OT DIIS 0.80E-01 0.0 0.00004744 -20.2719514586 -9.91E-06 43 OT DIIS 0.80E-01 0.0 0.00003609 -20.2719575666 -6.11E-06 44 OT DIIS 0.80E-01 0.0 0.00002380 -20.2720030537 -4.55E-05 45 OT DIIS 0.80E-01 0.0 0.00001770 -20.2720163691 -1.33E-05 46 OT DIIS 0.80E-01 0.0 0.00001261 -20.2720171943 -8.25E-07 47 OT DIIS 0.80E-01 0.0 0.00000902 -20.2720117192 5.48E-06 48 OT DIIS 0.80E-01 0.0 0.00000807 -20.2720034520 8.27E-06 49 OT DIIS 0.80E-01 0.0 0.00000705 -20.2719975479 5.90E-06 50 OT DIIS 0.80E-01 0.0 0.00000610 -20.2719876842 9.86E-06 Leaving inner SCF loop after reaching 50 steps. Electronic density on regular grids: -8.0000000000 -0.0000000000 Core density on regular grids: 7.9999999997 -0.0000000003 Total charge density on r-space grids: -0.0000000003 Total charge density g-space grids: -0.0000000003 Overlap energy of the core charge distribution: 0.00000009823522 Self energy of the core charge distribution: -43.83289054591484 Core Hamiltonian energy: 17.47760873671779 Hartree energy: 20.08046648897857 Exchange-correlation energy: 0.00000000000000 Hartree-Fock Exchange energy: -13.99717246224184 Total energy: -20.27198768422510 outer SCF iter = 11 RMS gradient = 0.61E-05 energy = -20.2719876842 outer SCF loop FAILED to converge after 11 iterations or 550 steps ******************************************************************************* * ___ * * / \ * * [ABORT] * * \___/ SCF run NOT converged. To continue the calculation regardless, * * | please set the keyword IGNORE_CONVERGENCE_FAILURE. * * O/| * * /| | * * / \ qs_scf.F:642 * ******************************************************************************* ===== Routine Calling Stack ===== 7 scf_env_do_scf 6 qs_energies 5 qs_forces 4 cp_eval_at 3 geoopt_bfgs 2 cp_geo_opt 1 CP2K Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL STOP 1 Runtime failure with code 1. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-3/h2o_f34.inp.out Spec: {'matcher': 'E_total', 'tol': 5e-10, 'ref': -16.75710416054953} Difference too large: 8.46e-03 > 5e-10, value: -16.89881026522536. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-3/h2o_f35.inp.out 60 PCG F NaN NaN 1.42 61 PCG F NaN NaN 1.42 62 PCG F NaN NaN 1.42 63 PCG F NaN NaN 1.43 64 PCG F NaN NaN 1.43 65 PCG F NaN NaN 1.43 66 PCG F NaN NaN 1.44 67 PCG F NaN NaN 1.44 68 PCG F NaN NaN 1.44 69 PCG F NaN NaN 1.45 70 PCG F NaN NaN 1.45 71 PCG F NaN NaN 1.45 72 PCG F NaN NaN 1.46 73 PCG F NaN NaN 1.46 74 PCG F NaN NaN 1.46 75 PCG F NaN NaN 1.46 76 PCG F NaN NaN 1.47 77 PCG F NaN NaN 1.47 78 PCG F NaN NaN 1.47 79 PCG F NaN NaN 1.48 80 PCG F NaN NaN 1.48 81 PCG F NaN NaN 1.48 82 PCG F NaN NaN 1.49 83 PCG F NaN NaN 1.49 84 PCG F NaN NaN 1.49 85 PCG F NaN NaN 1.49 86 PCG F NaN NaN 1.50 87 PCG F NaN NaN 1.50 88 PCG F NaN NaN 1.50 89 PCG F NaN NaN 1.51 90 PCG F NaN NaN 1.51 91 PCG F NaN NaN 1.51 92 PCG F NaN NaN 1.52 93 PCG F NaN NaN 1.52 94 PCG F NaN NaN 1.52 95 PCG F NaN NaN 1.53 96 PCG F NaN NaN 1.53 97 PCG F NaN NaN 1.53 98 PCG F NaN NaN 1.53 99 PCG F NaN NaN 1.54 100 PCG F NaN NaN 1.54 *** WARNING in qs_linres_methods.F:441 :: The linear solver didn't *** *** converge! Maximum number of iterations reached. *** !-----------------------------------------------------------------------------! ENERGY| Total FORCE_EVAL ( QS ) energy [hartree] -18.458207600434722 FORCES| Atomic forces [hartree/bohr] FORCES| Atom x y z |f| FORCES| 1 NaN NaN NaN NaN FORCES| 2 NaN NaN NaN NaN FORCES| 3 NaN NaN NaN NaN FORCES| Sum NaN NaN NaN FORCES| Total atomic force NaN OPT| ************************************************************************** OPT| Step number 0 OPT| Optimization method BFGS OPT| Total energy [hartree] -18.4582076004 OPT| Used time [s] 5.936 OPT| ************************************************************************** OPT| Estimated peak process memory [MiB] 401 -------------------------- OPTIMIZATION STEP: 1 -------------------------- ******************************************************************************* * ___ * * / \ * * [ABORT] * * \___/ Cholesky decompose failed: the matrix is not positive definite or * * | ill-conditioned. * * O/| * * /| | * * / \ fm/cp_fm_cholesky.F:124 * ******************************************************************************* ===== Routine Calling Stack ===== 12 cp_fm_cholesky_decompose 11 make_basis_sm 10 reorthogonalize_vectors 9 wfi_extrapolate 8 scf_env_initial_rho_setup 7 init_scf_run 6 qs_energies 5 qs_forces 4 cp_eval_at 3 geoopt_bfgs 2 cp_geo_opt 1 CP2K Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_UNDERFLOW_FLAG STOP 1 Runtime failure with code 1. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force-3/h2o_f36.inp.out Spec: {'matcher': 'E_total', 'tol': 5e-10, 'ref': -16.68272790092905} Difference too large: 1.18e-02 > 5e-10, value: -16.48587932107864. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force/h2o_f10.inp.out Spec: {'matcher': 'E_total', 'tol': 1e-11, 'ref': -17.02954820220558} Difference too large: 2.60e-09 > 1e-11, value: -17.02954815792534. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-tddfpt-force/h2o_f10b.inp.out Spec: {'matcher': 'E_total', 'tol': 1e-11, 'ref': -17.08503045954974} Difference too large: 2.51e-07 > 1e-11, value: -17.08503474902125. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-as-1/h2o_gapw_2-2.inp.out Spec: {'matcher': 'E_total', 'tol': 1e-12, 'ref': -76.01197041050612} Difference too large: 1.20e-07 > 1e-12, value: -76.01196126159968. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-as-1/h2o_gapw_2-2.inp.out Spec: {'matcher': 'M092', 'tol': 1e-08, 'ref': 77.48403318} Difference too large: 9.63e-08 > 1e-08, value: 77.48404064. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-as-1/ch2_gapw_2-3.inp.out Spec: {'matcher': 'E_total', 'tol': 1e-12, 'ref': -38.91914381184247} Difference too large: 2.82e-07 > 1e-12, value: -38.91915478682884. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-as-1/ch2_gapw_2-3.inp.out Spec: {'matcher': 'M092', 'tol': 1e-08, 'ref': 50.38752368} Difference too large: 8.86e-06 > 1e-08, value: 50.38797012. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-as-1/ch2_gapw_pp_2-3.inp.out Spec: {'matcher': 'E_total', 'tol': 1e-12, 'ref': -6.51646227467145} Difference too large: 2.95e-07 > 1e-12, value: -6.51646035015443. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-as-1/ch2_gapw_pp_2-3.inp.out Spec: {'matcher': 'M092', 'tol': 1e-08, 'ref': 17.95445524} Difference too large: 1.05e-05 > 1e-08, value: 17.95464325. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-as-1/ch2_gpw_pp_2-3.inp.out Spec: {'matcher': 'E_total', 'tol': 1e-12, 'ref': -6.51682932586237} Difference too large: 2.97e-07 > 1e-12, value: -6.51682739291396. xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /opt/cp2k/install/regtesting/TEST-2026-02-05_11-33-42/QS/regtest-as-1/ch2_gpw_pp_2-3.inp.out Spec: {'matcher': 'M092', 'tol': 1e-08, 'ref': 17.95513292} Difference too large: 1.03e-05 > 1e-08, value: 17.95531874. ------------------------------- Timings -------------------------------- Plot: name="timings", title="Timing Distribution", ylabel="time [s]" PlotPoint: name="100th_percentile", plot="timings", label="100th %ile", y=61.15, yerr=0.0 PlotPoint: name="99th_percentile", plot="timings", label="99th %ile", y=15.98, yerr=0.0 PlotPoint: name="98th_percentile", plot="timings", label="98th %ile", y=9.87, yerr=0.0 PlotPoint: name="95th_percentile", plot="timings", label="95th %ile", y=7.76, yerr=0.0 PlotPoint: name="90th_percentile", plot="timings", label="90th %ile", y=5.79, yerr=0.0 PlotPoint: name="80th_percentile", plot="timings", label="80th %ile", y=2.85, yerr=0.0 ------------------------------- Summary -------------------------------- Number of FAILED tests 8 Number of WRONG tests 45 Number of CORRECT tests 798 Total number of tests 851 Summary: correct: 798 / 851; wrong: 45; failed: 8; 5min Status: FAILED *************************** Testing ended ****************************** The command '/bin/sh -c /bin/bash -o pipefail -c "/opt/cp2k/install/bin/entrypoint.sh /opt/cp2k/install/bin/run_tests "' returned a non-zero code: 1 Pushing image of last succesful step a879568ee149... done. EndDate: 2026-02-05 11:40:10+00:00