StartDate: 2026-02-05 06:36:53+00:00 CpuId: 32x AMD EPYC (3rd Gen) (Milan) [Zen 3], 7nm (SMT disabled) CommitSHA: dbde3020091de6593445fa2c86c1f20ccaf917ed CommitTime: 2026-02-04 17:51:19 +0100 CommitAuthor: Juerg Hutter CommitSubject: GAPW increase accuracy for XC integration (#4779) #################### Building Image cp2k-gcc13 #################### Dockerfile: /tools/docker/Dockerfile.test_gcc13 Build-Path: / Build-Args: GIT_COMMIT_SHA=dbde3020091de6593445fa2c86c1f20ccaf917ed 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 1/44 : FROM ubuntu:24.04 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 2/44 : RUN export DEBIAN_FRONTEND=noninteractive DEBCONF_NONINTERACTIVE_SEEN=true && apt-get update -qq && apt-get install -qq --no-install-recommends cmake less nano make ninja-build wget python3 ca-certificates gcc-13 g++-13 gfortran-13 libfftw3-dev libopenblas-dev libint2-dev libxc-dev libhdf5-dev libxsmm-dev libspglib-f08-dev && rm -rf /var/lib/apt/lists/* ---> Using cache ---> bc20342d9165 Step 3/44 : RUN ln -sf /usr/bin/gcc-13 /usr/local/bin/gcc && ln -sf /usr/bin/g++-13 /usr/local/bin/g++ && ln -sf /usr/bin/gfortran-13 /usr/local/bin/gfortran ---> Using cache ---> ff145981be75 Step 4/44 : WORKDIR /opt/cp2k-toolchain ---> Using cache ---> 271759c2c25f Step 5/44 : COPY ./tools/toolchain/install_requirements*.sh ./ ---> Using cache ---> 513f2a9f1318 Step 6/44 : RUN ./install_requirements.sh ubuntu:24.04 ---> Using cache ---> 31480f883a8d Step 7/44 : RUN mkdir scripts ---> Using cache ---> e1b645394b5c Step 8/44 : COPY ./tools/toolchain/scripts/VERSION ./tools/toolchain/scripts/parse_if.py ./tools/toolchain/scripts/tool_kit.sh ./tools/toolchain/scripts/common_vars.sh ./tools/toolchain/scripts/signal_trap.sh ./tools/toolchain/scripts/get_openblas_arch.sh ./tools/toolchain/scripts/generate_cmake_options.sh ./scripts/ ---> Using cache ---> 8ab6235d9047 Step 9/44 : COPY ./tools/toolchain/install_cp2k_toolchain.sh . ---> 5b07cecd870b Step 10/44 : RUN ./install_cp2k_toolchain.sh --mpi-mode=no --with-dbcsr --with-gcc=system --with-cmake=system --with-ninja=system --with-openblas=system --with-libxc=no --with-libint=no --with-fftw=no --with-libxsmm=no --with-spglib=no --with-libvori=no --dry-run ---> Running in 0088e56cfb49 WARNING: (./install_cp2k_toolchain.sh, line 370) No MPI installation detected (ignore this message in Cray Linux Environment or when MPI installation was requested). Not using MPI, so ScaLAPACK is disabled. Not using MPI, so ELPA is disabled. Not using MPI, so SIRIUS is disabled Not using MPI, so COSMA is disabled Compiling with 32 processes for target native. Wrote only configuration files (--dry-run). sed: can't read //CMakeLists.txt: No such file or directory sed: can't read //CMakeLists.txt: No such file or directory sed: can't read //CMakeLists.txt: No such file or directory Suggested cmake command if toolchain is built with your options: cmake .. -DCMAKE_INSTALL_PREFIX=../install -DCP2K_DATA_DIR=//data ---> Removed intermediate container 0088e56cfb49 ---> ef4d62cd6720 Step 11/44 : COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/ ---> fa25331d970b Step 12/44 : RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build ---> Running in 908b66b5d154 ==================== Finding GCC from system paths ==================== path to gcc is /usr/local/bin/gcc path to g++ is /usr/local/bin/g++ path to gfortran is /usr/local/bin/gfortran GCC compiler version 13.3.0 found Found include directory /usr/include Step gcc took 0.00 seconds. Step intel took 0.00 seconds. Step amd took 0.00 seconds. ==================== Getting proc arch info using OpenBLAS tools ==================== wget --quiet https://www.cp2k.org/static/downloads/OpenBLAS-0.3.30.tar.gz -O OpenBLAS-0.3.30.tar.gz OpenBLAS-0.3.30.tar.gz: OK Checksum of OpenBLAS-0.3.30.tar.gz Ok OpenBLAS detected LIBCORE = zen OpenBLAS detected ARCH = x86_64 ==================== Finding CMake from system paths ==================== path to cmake is /usr/bin/cmake Step cmake took 0.00 seconds. ==================== Finding Ninja from system paths ==================== path to ninja is /usr/bin/ninja Step ninja took 0.00 seconds. ---> Removed intermediate container 908b66b5d154 ---> f3e535893de8 Step 13/44 : COPY ./tools/toolchain/scripts/stage1/ ./scripts/stage1/ ---> 99570b63447c Step 14/44 : RUN ./scripts/stage1/install_stage1.sh && rm -rf ./build ---> Running in 0eb212844142 ---> Removed intermediate container 0eb212844142 ---> cfddeed63b47 Step 15/44 : COPY ./tools/toolchain/scripts/stage2/ ./scripts/stage2/ ---> 596aa4d21352 Step 16/44 : RUN ./scripts/stage2/install_stage2.sh && rm -rf ./build ---> Running in 1a1454b9b0fc ==================== Finding OpenBLAS from system paths ==================== libopenblas is found in ld search path ERROR: (/opt/cp2k-toolchain/scripts/stage2/install_openblas.sh, line 112) Non-zero exit code detected. ERROR: (./scripts/stage2/install_mathlibs.sh, line 31) Non-zero exit code detected. The command '/bin/sh -c ./scripts/stage2/install_stage2.sh && rm -rf ./build' returned a non-zero code: 1 Pushing image of last succesful step 596aa4d21352... done. Summary: Docker build had non-zero exit status. Status: FAILED EndDate: 2026-02-05 06:37:36+00:00