Pipeline Status: failed GitLab UI: https://cicd-ext-mw.cscs.ch/ci/pipeline/results/3295760759903026/79700702/2355472275?iid=87&type=gitlab ╔══════════════════════════════════════════════════════════════════════════════════════════════════╗ ║ BUILD DEPS DAINT ║ ╚══════════════════════════════════════════════════════════════════════════════════════════════════╝ Running with gitlab-runner 17.9.0 (c4cbe9dd) on gitlab-runner-container-builder-prod-7747fcb865-8gb99 t2_pDD7oj, system ID: s_fcb865m8gb99 feature flags: FF_TIMESTAMPS:true section_start:1772258591:prepare_executor Preparing the "kubernetes" executor "NodeSelector" "kubernetes.io/arch" overwritten with "arm64" Using Kubernetes namespace: ci-ext Using Kubernetes executor with image jfrog.svc.cscs.ch/dockerhub/finkandreas/cicd-ext-k8s-container-image-builder:podman-5.5.1 ... Using attach strategy to execute scripts... section_end:1772258591:prepare_executor section_start:1772258591:prepare_script Preparing environment Using FF_USE_POD_ACTIVE_DEADLINE_SECONDS, the Pod activeDeadlineSeconds will be set to the job timeout: 1h0m0s... Waiting for pod ci-ext/runner-t2pdd7oj-project-79700702-concurrent-0-x05p43bf to be running, status is Pending Waiting for pod ci-ext/runner-t2pdd7oj-project-79700702-concurrent-0-x05p43bf to be running, status is Pending ContainersNotReady: "containers with unready status: [build helper]" ContainersNotReady: "containers with unready status: [build helper]" Running on runner-t2pdd7oj-project-79700702-concurrent-0-x05p43bf via gitlab-runner-container-builder-prod-7747fcb865-8gb99... section_end:1772258597:prepare_script section_start:1772258597:get_sources Getting source from Git repository Executing on 148.187.0.215 Fetching changes with git depth set to 20... Initialized empty Git repository in /builds/cscs-ci/ci-testing/webhook-ci/mirrors/3546923033037693/3295760759903026/.git/ Created fresh repository. Checking out 4180bf53 as detached HEAD (ref is master)... Skipping Git submodules setup section_end:1772258603:get_sources section_start:1772258603:step_script Executing "step_script" stage of the job script $ DEPS_IMAGE_TAG=`cat make_cp2k.sh ci/cscs_daint_${TAG}.yaml ci/docker/build_${CI_JOB_STAGE}_${BUILDER}.Dockerfile $(find tools/spack -type f) $(find cmake -type f) | sha256sum - | head -c 16` $ export PERSIST_IMAGE_NAME=${CSCS_REGISTRY_PATH}/base/${REPOSITORY}:${TAG}_${DEPS_IMAGE_TAG} $ echo "DEPS_IMAGE_NAME=${PERSIST_IMAGE_NAME}" | tee build.env DEPS_IMAGE_NAME=jfrog.svc.cscs.ch/docker-ci-ext/3546923033037693/base/cp2k_daint:spack_psmp_h100_eb530cb8f2ea8dfb $ build_new_container Login Succeeded! Checking write permission for jfrog.svc.cscs.ch/docker-ci-ext/3546923033037693/base/cp2k_daint:spack_psmp_h100_eb530cb8f2ea8dfb Setting build argument NUM_PROCS=64 STEP 1/14: FROM docker.io/nvidia/cuda:12.4.1-devel-ubuntu22.04 AS build_deps Trying to pull docker.io/nvidia/cuda:12.4.1-devel-ubuntu22.04... Getting image source signatures Copying blob sha256:b97237f311660dcc393013cf58d7804c199fe0cb4d6f0265096ab8ddf706e7f6 Copying blob sha256:70104cd59e2a443b9d9a13a6bce3bbf1ae78261c4198a40bf69d6e0515abe06a Copying blob sha256:22748568967fe696328a740d644531af1504f15c53245a8de41ab57b24bfbb1a Copying blob sha256:35e6dd55b641a91c7d2bf3bc31b81302d61a23df6473f9fad608c81f8852db6f Copying blob sha256:56c8cdb42d24e6e7cd545a41829891ad52c25e2ec883bc4be7d81b7804dfac52 Copying blob sha256:56dc8550293751a1604e97ac949cfae82ba20cb2a28e034737bafd7382559609 Copying blob sha256:2e882515fad92f551268e3becd4df860ae4a0d015df30ea8abb6ce2234217f40 Copying blob sha256:e37bdbfc55edc529a8d47b715f30651f78a56c0b59122e238b2eba695df85f49 Copying blob sha256:4c60b5e7307e86fa82203b0c227d8001dce1fc4804fd49bbb2d42f6a5a805954 Copying blob sha256:8a791a9b45017619d9c8b0bac087727fe19db13c49d1782fa25f38bdf007b530 Copying blob sha256:59588f87dd82424f152239a2a3e72bb32880fceabd3c1f30c827214b19d951bb Copying config sha256:0ecfa54b7f671e84c3404d211f6fb6307cebf3b66a171a33326f846e48f41f8d Writing manifest to image destination STEP 2/14: 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 patch pkgconf python3 python3-dev python3-pip python3-venv unzip wget xxd xz-utils zstd && rm -rf /var/lib/apt/lists/* time="2026-02-28T06:04:11Z" level=warning msg="registering binfmt_misc interpreters: registering(write): write /proc/sys/fs/binfmt_misc/register: file exists" debconf: delaying package configuration, since apt-utils is not installed (Reading database ... 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Selecting previously unselected package libmpdec3:arm64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 14573 files and directories currently installed.) Preparing to unpack .../libmpdec3_2.5.1-2build2_arm64.deb ... Unpacking libmpdec3:arm64 (2.5.1-2build2) ... Selecting previously unselected package libpython3.10-stdlib:arm64. Preparing to unpack .../libpython3.10-stdlib_3.10.12-1~22.04.14_arm64.deb ... Unpacking libpython3.10-stdlib:arm64 (3.10.12-1~22.04.14) ... 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Adding 'diversion of /usr/bin/pkg-config to /usr/bin/pkg-config.real by pkgconf' Adding 'diversion of /usr/share/aclocal/pkg.m4 to /usr/share/aclocal/pkg.real.m4 by pkgconf' Adding 'diversion of /usr/share/man/man1/pkg-config.1.gz to /usr/share/man/man1/pkg-config.real.1.gz by pkgconf' Adding 'diversion of /usr/share/pkg-config-crosswrapper to /usr/share/pkg-config-crosswrapper.real by pkgconf' Unpacking pkgconf (1.8.0-1) ... Selecting previously unselected package python3.10-dev. Preparing to unpack .../56-python3.10-dev_3.10.12-1~22.04.14_arm64.deb ... Unpacking python3.10-dev (3.10.12-1~22.04.14) ... Selecting previously unselected package python3-lib2to3. Preparing to unpack .../57-python3-lib2to3_3.10.8-1~22.04_all.deb ... Unpacking python3-lib2to3 (3.10.8-1~22.04) ... Selecting previously unselected package python3-distutils. Preparing to unpack .../58-python3-distutils_3.10.8-1~22.04_all.deb ... Unpacking python3-distutils (3.10.8-1~22.04) ... 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Setting up libpsl5:arm64 (0.21.0-1.2build2) ... Setting up wget (1.21.2-2ubuntu1.1) ... Setting up libmagic-mgc (1:5.41-3ubuntu0.1) ... Setting up distro-info-data (0.52ubuntu0.11) ... Setting up unzip (6.0-26ubuntu3.2) ... Setting up libbrotli1:arm64 (1.0.9-2build6) ... Setting up libnghttp2-14:arm64 (1.43.0-1ubuntu0.2) ... Setting up libmagic1:arm64 (1:5.41-3ubuntu0.1) ... Setting up file (1:5.41-3ubuntu0.1) ... Setting up libgomp1:arm64 (12.3.0-1ubuntu1~22.04.3) ... Setting up xxd (2:8.2.3995-1ubuntu2.24) ... Setting up libasan6:arm64 (11.4.0-1ubuntu1~22.04.3) ... Setting up liberror-perl (0.17029-1) ... Setting up ca-certificates (20240203~22.04.1) ... debconf: unable to initialize frontend: Dialog debconf: (TERM is not set, so the dialog frontend is not usable.) debconf: falling back to frontend: Readline Updating certificates in /etc/ssl/certs... rehash: warning: skipping ca-certificates.crt,it does not contain exactly one certificate or CRL 14 added, 5 removed; done. Setting up autotools-dev (20220109.1) ... Setting up libpkgconf3:arm64 (1.8.0-1) ... Setting up libuv1:arm64 (1.43.0-1ubuntu0.1) ... Setting up libexpat1-dev:arm64 (2.4.7-1ubuntu0.7) ... Setting up emacsen-common (3.0.4) ... Setting up gnupg-l10n (2.2.27-3ubuntu2.5) ... Setting up librtmp1:arm64 (2.4+20151223.gitfa8646d.1-2build4) ... Setting up dh-elpa-helper (2.0.9ubuntu1) ... Setting up libssl-dev:arm64 (3.0.2-0ubuntu1.21) ... Setting up libatomic1:arm64 (12.3.0-1ubuntu1~22.04.3) ... Setting up libjsoncpp25:arm64 (1.9.5-3) ... Setting up libssh-4:arm64 (0.9.6-2ubuntu0.22.04.6) ... Setting up libgfortran5:arm64 (12.3.0-1ubuntu1~22.04.3) ... Setting up libubsan1:arm64 (12.3.0-1ubuntu1~22.04.3) ... Setting up zlib1g-dev:arm64 (1:1.2.11.dfsg-2ubuntu9.2) ... Setting up libhwasan0:arm64 (12.3.0-1ubuntu1~22.04.3) ... Setting up librhash0:arm64 (1.4.2-1ubuntu1) ... Setting up libmpdec3:arm64 (2.5.1-2build2) ... Setting up gpgconf (2.2.27-3ubuntu2.5) ... Setting up libcurl4:arm64 (7.81.0-1ubuntu1.22) ... Setting up git-man (1:2.34.1-1ubuntu1.17) ... Setting up cmake-data (3.22.1-1ubuntu1.22.04.2) ... Setting up libjs-jquery (3.6.0+dfsg+~3.5.13-1) ... Setting up zstd (1.4.8+dfsg-3build1) ... Setting up libcc1-0:arm64 (12.3.0-1ubuntu1~22.04.3) ... Setting up gpg (2.2.27-3ubuntu2.5) ... Setting up liblsan0:arm64 (12.3.0-1ubuntu1~22.04.3) ... Setting up libitm1:arm64 (12.3.0-1ubuntu1~22.04.3) ... Setting up libjs-underscore (1.13.2~dfsg-2) ... Setting up libicu70:arm64 (70.1-2) ... Setting up gnupg-utils (2.2.27-3ubuntu2.5) ... Setting up libtsan0:arm64 (11.4.0-1ubuntu1~22.04.3) ... Setting up cpp-11 (11.4.0-1ubuntu1~22.04.3) ... Setting up gpg-agent (2.2.27-3ubuntu2.5) ... Setting up libtool (2.4.6-15build2) ... Setting up python3-pip-whl (22.0.2+dfsg-1ubuntu0.7) ... Setting up gpgsm (2.2.27-3ubuntu2.5) ... Setting up libcurl3-gnutls:arm64 (7.81.0-1ubuntu1.22) ... Setting up pkgconf (1.8.0-1) ... Setting up libpython3.10-stdlib:arm64 (3.10.12-1~22.04.14) ... Setting up dirmngr (2.2.27-3ubuntu2.5) ... Setting up libssh-dev:arm64 (0.9.6-2ubuntu0.22.04.6) ... Setting up git (1:2.34.1-1ubuntu1.17) ... Setting up libjs-sphinxdoc (4.3.2-1) ... Setting up gpg-wks-server (2.2.27-3ubuntu2.5) ... Setting up libgcc-11-dev:arm64 (11.4.0-1ubuntu1~22.04.3) ... Setting up gcc-11 (11.4.0-1ubuntu1~22.04.3) ... Setting up libxml2:arm64 (2.9.13+dfsg-1ubuntu0.11) ... Setting up libpython3-stdlib:arm64 (3.10.6-1~22.04.1) ... Setting up libtool-bin (2.4.6-15build2) ... Setting up libpython3.10:arm64 (3.10.12-1~22.04.14) ... Setting up python3.10 (3.10.12-1~22.04.14) ... Setting up gpg-wks-client (2.2.27-3ubuntu2.5) ... Setting up libarchive13:arm64 (3.6.0-1ubuntu1.5) ... Setting up libgfortran-11-dev:arm64 (11.4.0-1ubuntu1~22.04.3) ... Setting up python3 (3.10.6-1~22.04.1) ... running python rtupdate hooks for python3.10... running python post-rtupdate hooks for python3.10... Setting up libpython3.10-dev:arm64 (3.10.12-1~22.04.14) ... Setting up gfortran-11 (11.4.0-1ubuntu1~22.04.3) ... Setting up libstdc++-11-dev:arm64 (11.4.0-1ubuntu1~22.04.3) ... Setting up python3.10-dev (3.10.12-1~22.04.14) ... Setting up gnupg (2.2.27-3ubuntu2.5) ... Setting up cmake (3.22.1-1ubuntu1.22.04.2) ... Setting up lsb-release (11.1.0ubuntu4) ... Setting up python3-lib2to3 (3.10.8-1~22.04) ... Setting up python3-pkg-resources (59.6.0-1.2ubuntu0.22.04.3) ... Setting up python3-distutils (3.10.8-1~22.04) ... Setting up libpython3-dev:arm64 (3.10.6-1~22.04.1) ... Setting up python3.10-venv (3.10.12-1~22.04.14) ... Setting up python3-setuptools (59.6.0-1.2ubuntu0.22.04.3) ... Setting up g++-11 (11.4.0-1ubuntu1~22.04.3) ... Setting up python3-wheel (0.37.1-2ubuntu0.22.04.1) ... Setting up gfortran (4:11.2.0-1ubuntu1) ... 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-venv (3.10.6-1~22.04.1) ... Setting up python3-dev (3.10.6-1~22.04.1) ... Setting up python3-pip (22.0.2+dfsg-1ubuntu0.7) ... Processing triggers for libc-bin (2.35-0ubuntu3.6) ... Processing triggers for ca-certificates (20240203~22.04.1) ... Updating certificates in /etc/ssl/certs... 0 added, 0 removed; done. Running hooks in /etc/ca-certificates/update.d... done. --> 2fa3ede2f988 STEP 3/14: ENV CUDA_HOME=/usr/local/cuda --> c2f8fc994585 STEP 4/14: ENV LD_LIBRARY_PATH="${CUDA_HOME}/lib64:${LD_LIBRARY_PATH}" --> cc9d80d4d0d8 STEP 5/14: ARG NUM_PROCS --> 5997409fc419 STEP 6/14: ENV NUM_PROCS=${NUM_PROCS:-32} --> 1f33e7d540b0 STEP 7/14: ARG CP2K_VERSION --> c392771b61ab STEP 8/14: ENV CP2K_VERSION=${CP2K_VERSION:-psmp} --> b1362e6fc62d STEP 9/14: ARG FEATURE_FLAGS --> d9f2fd1a7804 STEP 10/14: ENV FEATURE_FLAGS=${FEATURE_FLAGS:-} --> 0b0a3f9b8cfa STEP 11/14: WORKDIR /opt --> 88607004f715 STEP 12/14: COPY . cp2k/ --> c2a969608f20 STEP 13/14: WORKDIR /opt/cp2k --> 665b77910400 STEP 14/14: RUN ./make_cp2k.sh -bd_only -cray -cv ${CP2K_VERSION} -dlc -j${NUM_PROCS} ${FEATURE_FLAGS} make_cp2k.sh: Running script in subshell mode make_cp2k.sh: Changes from this script in the shell environment are lost after completion INFO: Using bash version 5.1.16(1)-release INFO: Found Python 3.10.12 INFO: The use of externals (-ue flag) is currently enforced with CUDA BUILD_DEPS = always BUILD_DEPS_ONLY = yes CMAKE_BUILD_TYPE = Release CP2K_VERSION = psmp CRAY = yes DISABLE_LOCAL_CACHE = yes GCC_VERSION = auto GPU = H100 (CUDA SM code: 90) INSTALL_PREFIX = /opt/cp2k/install INSTALL_MESSAGE = NEVER IN_CONTAINER = yes MPI_MODE = mpich NUM_PROCS = 64 (processes) Physical cores = 288 (host view) REBUILD_CP2K = no RUN_TEST = no USE_EXTERNALS = yes VERBOSE_FLAG = --quiet VERBOSE_MAKEFILE = OFF VERBOSE = 0 LD_LIBRARY_PATH = /usr/local/cuda/lib64:/usr/local/nvidia/lib:/usr/local/nvidia/lib64 PATH = /usr/local/nvidia/bin:/usr/local/cuda/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin CMAKE_FEATURE_FLAGS = -DCP2K_USE_EVERYTHING=ON -DCP2K_USE_MPI=ON -DCP2K_BLAS_VENDOR=OpenBLAS -DCP2K_USE_FFTW3=ON -DCP2K_USE_DLAF=OFF INFO: No NVIDIA driver installation found (nvidia-smi not found) CMAKE_CUDA_FLAGS = -DCP2K_USE_ACCEL=CUDA -DCP2K_WITH_GPU=H100 -DCMAKE_CUDA_ARCHITECTURES=90 -DCP2K_USE_SPLA_GEMM_OFFLOADING=ON CUDA_VERSION = 12.4 (nvcc compiler) CUDA_HOME = /usr/local/cuda Installing Spack 1.1.1 INFO: A local Spack cache is NOT used Searching for GCC compilers ==> Available compilers -- gcc ubuntu22.04-aarch64 -------------------------------------- [e] gcc@11.4.0 The newest GCC compiler version found by spack is gcc@11.4.0 Spack will automatically select the GCC version which is not necessarily the newest one found INFO: PEXSI has been disabled because CUDA or GCC 15 is used # Spack environment file for an MPI parallel CP2K binary with all available dependencies # Edit this file with care because it is automatically changed by the make_cp2k.sh script spack: concretizer: unify: true config: install_tree: padded_length: 128 root: /opt/cp2k/spack/spack/opt/spack modules: prefix_inspections: bin: - PATH lib: - LD_LIBRARY_PATH lib64: - LD_LIBRARY_PATH packages: all: buildable: true prefer: - "+cuda cuda_arch=90" - "+mpi" - "+mpi_f08" - "+openmp" - "+pic" - "~rocm" - "build_system=cmake" - "build_type=Release" cuda: buildable: false externals: - spec: cuda@12.4 prefix: /usr/local/cuda # Build tools mpi: require: - mpich mpich: require: - "+xpmem" - "netmod=ofi" xpmem: require: - "xpmem@master ~kernel-module" # ScaLAPACK, LAPACK, BLAS blas: require: - openblas lapack: require: - openblas libxsmm: require: - "blas=default" openblas: require: - "+fortran" - "threads=openmp" - "build_system=makefile" scalapack: require: - netlib-scalapack # Libraries needed by CP2K adios2: require: - "~bzip2" cosma: require: - "+cuda +gpu_direct" - "+scalapack" dbcsr: require: - "~examples" - "+openmp" - "smm=libxsmm" deepmdkit: require: - "+pytorch" dla-future: require: - "+scalapack" elpa: require: - "+openmp" fftw: require: - "+openmp" hdf5: require: - "+fortran" libfabric: require: - "~cuda ~gdrcopy" - "fabrics=efa,ucx" libint: require: - "+fortran" - "tune=cp2k-lmax-5" libxc: require: - "~cuda" - "+kxc" mctc-lib: require: - "~openmp" openpmd-api: require: - "+adios2" pexsi: require: - "+fortran" py-torch: require: - "~cuda" - "~distributed" - "~kineto" - "~mkldnn" - "~rocm" - "~valgrind" sirius: require: - "~apps" - "+dftd3" - "+dlaf" - "+elpa" - "+fortran" - "+pugixml" - "+scalapack" - "+vdwxc" spla: require: - "+fortran" trexio: require: - "+hdf5" repos: builtin: commit: d3a40be2f4c9fffc7a4983db77ec13bbb243bc06 # 2026-02-24 specs: # Build tools - "cmake@3.27:" - "gcc@10:" - "gmake@4.2:" - "mpich@4.3.2" - "ninja@1.13" # - "openmpi@5.0.9" - "python@3.11:" # CP2K - "adios2@2.11.0" - "cosma@2.7.1" - "dbcsr@2.9.1" - "deepmdkit@3.1.2" - "dftd4@3.7.0" - "dla-future@0.10.0" - "dla-future-fortran@0.5.0" - "elpa@2025.06.001" - "fftw@3.3.10" - "greenx@2.2" - "hdf5@1.14.6" - "libfabric@1.22.0" - "libint@2.11.2" - "libsmeagol@1.2" - "libvdwxc@0.5.0" - "libvori@220621" - "libxc@7.0.0" - "libxsmm@1.17-cp2k" - "mimic-mcl@3.0.0" - "netlib-scalapack@2.2.2" - "openblas@0.3.31" - "openpmd-api@0.17.0" - "pace@2025.12.4" # - "pexsi@2.0.0" - "plumed@2.10.0" - "py-torch@2.9.0" - "sirius@7.10.0" - "spfft@1.1.1" - "spglib@2.7.0" - "spla@1.6.1" - "tblite@0.5.0" - "trexio@2.5.0" view: default: root: /opt/cp2k/spack/spack/opt/spack/view exclude: # Exclude gcc-runtime to avoid adding a copy of libgomp.so to the view - gcc-runtime The Spack environment "cp2k_env" does NOT exist The Spack environment "cp2k_env" has been created The Spack environment "cp2k_env" has been activated ==> builtin: Updated sucessfully. ==> 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/var/spack/environments/cp2k_env/spack.yaml -- no arch / no compilers --------------------------------------- binutils@2.38 cmake@3.22.1 coreutils@8.32 diffutils@3.8 findutils@4.8.0 git@2.34.1 gmake@4.3 libtool@2.4.6 openssl@3.0.2 perl@5.34.0 pkgconf@1.8.0 python@3.10.12 sed@4.8 tar@1.34 zlib@1.2.11 ==> Error: failed to concretize `tblite@0.5.0`, `dla-future@0.10.0`, `ninja@1.13`, `cosma@2.7.1`, ..., `mimic-mcl@3.0.0` for the following reasons: 1. 'libfabric' requires conflicting variant values '~cuda' and '+cuda' 2. 'libfabric' requires conflicting variant values '~cuda' and '+cuda' required because mpich depends on libfabric+cuda when +cuda netmod=ofi required because dbcsr depends on mpich+fortran when +mpi ^mpi=mpich required because hdf5 depends on mpich+fortran when +fortran+mpi ^mpi=mpich required because openpmd-api depends on hdf5@1.8.13: when +hdf5 required because openpmd-api@0.17.0 requested explicitly required because openpmd-api depends on hdf5@1.8.13:+mpi when +hdf5+mpi required because sirius depends on hdf5+hl required because sirius@7.10.0 requested explicitly required because trexio depends on hdf5@1.8: when +hdf5 required because trexio@2.5.0 requested explicitly required because hdf5@1.14.6 requested explicitly required because mpich@4.3.2 requested explicitly required because mpich is a requirement for package mpi required because dbcsr@2.9.1 requested explicitly required because mpich@4.3.2 requested explicitly required because mpich is a requirement for package mpi required because hdf5 depends on mpich+fortran when +fortran+mpi ^mpi=mpich required because mpich@4.3.2 requested explicitly required because mpich is a requirement for package mpi required because ~cuda~gdrcopy is a requirement for package libfabric required because adios2 depends on libfabric@1.6.0: when +sst platform=linux required because openpmd-api depends on adios2@2.5.0: when +adios2 required because openpmd-api@0.17.0 requested explicitly required because openpmd-api depends on adios2@2.5.0:+mpi when +adios2+mpi required because openpmd-api depends on adios2@2.6.0: when @0.12.0:+adios2 required because openpmd-api depends on adios2@2.7.0: when @0.14.0:+adios2 required because openpmd-api depends on adios2@2.9.0: when @0.17.0:+adios2 required because adios2@2.11.0 requested explicitly required because mpich depends on libfabric+cuda when +cuda netmod=ofi required because dbcsr depends on mpich+fortran when +mpi ^mpi=mpich required because hdf5 depends on mpich+fortran when +fortran+mpi ^mpi=mpich required because openpmd-api depends on hdf5@1.8.13: when +hdf5 required because openpmd-api depends on hdf5@1.8.13:+mpi when +hdf5+mpi required because sirius depends on hdf5+hl required because sirius@7.10.0 requested explicitly required because trexio depends on hdf5@1.8: when +hdf5 required because trexio@2.5.0 requested explicitly required because hdf5@1.14.6 requested explicitly required because mpich@4.3.2 requested explicitly required because mpich is a requirement for package mpi required because dbcsr@2.9.1 requested explicitly required because mpich@4.3.2 requested explicitly required because mpich is a requirement for package mpi required because hdf5 depends on mpich+fortran when +fortran+mpi ^mpi=mpich required because mpich@4.3.2 requested explicitly required because mpich is a requirement for package mpi required because mpich depends on libfabric@1.5: when @3.4: device=ch4 netmod=ofi required because libfabric@1.22.0 requested explicitly 3. 'libfabric' requires conflicting variant values '~cuda' and '+cuda' required because ~cuda~gdrcopy is a requirement for package libfabric required because adios2 depends on libfabric@1.6.0: when +sst platform=linux required because openpmd-api depends on adios2@2.5.0: when +adios2 required because openpmd-api@0.17.0 requested explicitly required because openpmd-api depends on adios2@2.5.0:+mpi when +adios2+mpi required because openpmd-api depends on adios2@2.6.0: when @0.12.0:+adios2 required because openpmd-api depends on adios2@2.7.0: when @0.14.0:+adios2 required because openpmd-api depends on adios2@2.9.0: when @0.17.0:+adios2 required because adios2@2.11.0 requested explicitly required because mpich depends on libfabric+cuda when +cuda netmod=ofi required because dbcsr depends on mpich+fortran when +mpi ^mpi=mpich required because hdf5 depends on mpich+fortran when +fortran+mpi ^mpi=mpich required because openpmd-api depends on hdf5@1.8.13: when +hdf5 required because openpmd-api depends on hdf5@1.8.13:+mpi when +hdf5+mpi required because sirius depends on hdf5+hl required because sirius@7.10.0 requested explicitly required because trexio depends on hdf5@1.8: when +hdf5 required because trexio@2.5.0 requested explicitly required because hdf5@1.14.6 requested explicitly required because mpich@4.3.2 requested explicitly required because mpich is a requirement for package mpi required because dbcsr@2.9.1 requested explicitly required because mpich@4.3.2 requested explicitly required because mpich is a requirement for package mpi required because hdf5 depends on mpich+fortran when +fortran+mpi ^mpi=mpich required because mpich@4.3.2 requested explicitly required because mpich is a requirement for package mpi required because mpich depends on libfabric@1.5: when @3.4: device=ch4 netmod=ofi required because libfabric@1.22.0 requested explicitly required because +cuda cuda_arch=90 is a requirement for package libfabric required because adios2 depends on libfabric@1.6.0: when +sst platform=linux required because openpmd-api depends on adios2@2.5.0: when +adios2 required because openpmd-api@0.17.0 requested explicitly required because openpmd-api depends on adios2@2.5.0:+mpi when +adios2+mpi required because openpmd-api depends on adios2@2.6.0: when @0.12.0:+adios2 required because openpmd-api depends on adios2@2.7.0: when @0.14.0:+adios2 required because openpmd-api depends on adios2@2.9.0: when @0.17.0:+adios2 required because adios2@2.11.0 requested explicitly required because mpich depends on libfabric+cuda when +cuda netmod=ofi required because dbcsr depends on mpich+fortran when +mpi ^mpi=mpich required because hdf5 depends on mpich+fortran when +fortran+mpi ^mpi=mpich required because openpmd-api depends on hdf5@1.8.13: when +hdf5 required because openpmd-api depends on hdf5@1.8.13:+mpi when +hdf5+mpi required because sirius depends on hdf5+hl required because sirius@7.10.0 requested explicitly required because trexio depends on hdf5@1.8: when +hdf5 required because trexio@2.5.0 requested explicitly required because hdf5@1.14.6 requested explicitly required because mpich@4.3.2 requested explicitly required because mpich is a requirement for package mpi required because dbcsr@2.9.1 requested explicitly required because mpich@4.3.2 requested explicitly required because mpich is a requirement for package mpi required because hdf5 depends on mpich+fortran when +fortran+mpi ^mpi=mpich required because mpich@4.3.2 requested explicitly required because mpich is a requirement for package mpi required because mpich depends on libfabric@1.5: when @3.4: device=ch4 netmod=ofi required because libfabric@1.22.0 requested explicitly . You could consider setting `concretizer:unify` to `when_possible` or `false` to allow multiple versions of some packages. ==> Fetching https://ghcr.io/v2/spack/bootstrap-buildcache-v2.2/blobs/sha256:7d2ad7639dc0c03b71558094094e42d4c6def0eee579e5772b3d43ea11861fca ==> Fetching https://ghcr.io/v2/spack/bootstrap-buildcache-v2.2/blobs/sha256:f38dbf6541cad89e16875d986e3765a36cb4f152eea641875001149c0b8db032 ==> 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=aarch64" from a buildcache ERROR: The spack concretize for environment "cp2k_env" failed HINT: The (-ue | --use_externals) flags can cause conflicts with outdated packages on the host system, e.g. old python or gcc versions subprocess exited with status 1 subprocess exited with status 1 Error: building at STEP "RUN ./make_cp2k.sh -bd_only -cray -cv ${CP2K_VERSION} -dlc -j${NUM_PROCS} ${FEATURE_FLAGS}": exit status 1 The container image was not built successfully section_end:1772258807:step_script section_start:1772258807:upload_artifacts_on_failure Uploading artifacts for failed job Uploading artifacts... build.env: found 1 matching artifact files and directories Uploading artifacts as "dotenv" to coordinator... 201 Created id=13302903315 responseStatus=201 Created token=6c_hWKN2t section_end:1772258808:upload_artifacts_on_failure section_start:1772258808:cleanup_file_variables Cleaning up project directory and file based variables section_end:1772258809:cleanup_file_variables ERROR: Job failed: command terminated with exit code 1 ╔══════════════════════════════════════════════════════════════════════════════════════════════════╗ ║ BUILD CP2K DAINT ║ ╚══════════════════════════════════════════════════════════════════════════════════════════════════╝ ╔══════════════════════════════════════════════════════════════════════════════════════════════════╗ ║ REGRESSION TEST CP2K DAINT ║ ╚══════════════════════════════════════════════════════════════════════════════════════════════════╝ ╔══════════════════════════════════════════════════════════════════════════════════════════════════╗ ║ TEST CP2K DAINT ║ ╚══════════════════════════════════════════════════════════════════════════════════════════════════╝ ╔══════════════════════════════════════════════════════════════════════════════════════════════════╗ ║ BENCHMARK CP2K 1 DAINT NODE ║ ╚══════════════════════════════════════════════════════════════════════════════════════════════════╝ ╔══════════════════════════════════════════════════════════════════════════════════════════════════╗ ║ BENCHMARK CP2K 1 DAINT NODE ELPA ║ ╚══════════════════════════════════════════════════════════════════════════════════════════════════╝