StartDate: 2026-06-16 06:04:06+00:00 CpuId: 32x AMD EPYC (3rd Gen) (Milan) [Zen 3], 7nm (SMT disabled) CommitSHA: 4d701726f9b1d78eef2c3b2a7eca32c49a9f2371 CommitTime: 2026-06-15 10:59:06 +0200 CommitAuthor: SY Wang CommitSubject: Toolchain: Print categorized configuration summary (#5397) #################### Building Image cp2k-minimal #################### Dockerfile: /tools/docker/Dockerfile.test_minimal Build-Path: / Build-Args: GIT_COMMIT_SHA=4d701726f9b1d78eef2c3b2a7eca32c49a9f2371 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 420.6MB Step 1/46 : FROM ubuntu:26.04 26.04: Pulling from library/ubuntu 6f5c5aa4e145: Pulling fs layer 1c24335ddd46: Pulling fs layer 1c24335ddd46: Verifying Checksum 1c24335ddd46: Download complete 6f5c5aa4e145: Verifying Checksum 6f5c5aa4e145: Download complete 6f5c5aa4e145: Pull complete 1c24335ddd46: Pull complete Digest: sha256:f3d28607ddd78734bb7f71f117f3c6706c666b8b76cbff7c9ff6e5718d46ff64 Status: Downloaded newer image for ubuntu:26.04 ---> 30ba44506a6d Step 2/46 : RUN apt-get update -qq && apt-get install -qq --no-install-recommends software-properties-common ---> Using cache ---> 1cc22f5dcd03 Step 3/46 : RUN add-apt-repository universe ---> Using cache ---> 12fdf1ae03cf Step 4/46 : 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-15 g++-15 gfortran-15 libfftw3-dev libopenblas-dev libint2-dev libxc-dev libhdf5-dev libxsmm-dev libspglib-f08-dev && rm -rf /var/lib/apt/lists/* ---> Using cache ---> 9c939312e7f4 Step 5/46 : RUN ln -sf /usr/bin/gcc-15 /usr/local/bin/gcc && ln -sf /usr/bin/g++-15 /usr/local/bin/g++ && ln -sf /usr/bin/gfortran-15 /usr/local/bin/gfortran ---> Using cache ---> 969eb5e86797 Step 6/46 : WORKDIR /opt/cp2k-toolchain ---> Using cache ---> 0937c1cb4da4 Step 7/46 : COPY ./tools/toolchain/install_requirements*.sh ./ ---> Using cache ---> c8072fd6a26b Step 8/46 : RUN ./install_requirements.sh ubuntu:26.04 ---> Using cache ---> 106a43f30e55 Step 9/46 : RUN mkdir scripts ---> Using cache ---> 8d0eb7f72c91 Step 10/46 : 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/build_utils/fypp ./scripts/ ---> 517791c95967 Step 11/46 : COPY ./tools/toolchain/install_cp2k_toolchain.sh . ---> cf4383a5d550 Step 12/46 : RUN ./install_cp2k_toolchain.sh --mpi-mode=no --with-dbcsr=install --with-gcc=system --with-cmake=system --with-ninja=system --with-openblas=system --with-libxc=no --with-libint=no --with-fftw=no --with-libxsmm=install --with-libxs=install --with-spglib=no --with-libvori=no --with-tblite=no --dry-run ---> Running in 29fb70109739 No MPI installation detected. (Ignore this message if a fresh MPI installation is requested.) Toolchain script received the following options: --mpi-mode=no --with-dbcsr=install --with-gcc=system --with-cmake=system --with-ninja=system --with-openblas=system --with-libxc=no --with-libint=no --with-fftw=no --with-libxsmm=install --with-libxs=install --with-spglib=no --with-libvori=no --with-tblite=no --dry-run Parsing options and resolving conflicts... WARNING: (./install_cp2k_toolchain.sh, line 998) Not using MPI, so ScaLAPACK is disabled. WARNING: (./install_cp2k_toolchain.sh, line 1002) Not using MPI, so ELPA is disabled. WARNING: (./install_cp2k_toolchain.sh, line 1026) Not using MPI, so COSMA is disabled.  Toolchain configuration summary ------------------------------- System specifications: -j = 32 --target-cpu = native --gpu-ver = no --mpi-mode = no --math-mode = openblas Enabled features: --enable-tsan = no --enable-cuda = no --enable-gauxc-cutlass = no --enable-hip = no --enable-opencl = no --enable-cray = no Packages to be installed: - libxsmm - libxs - dbcsr Packages to be detected from system: - gcc - cmake - ninja - openblas Packages not used: - intel - amd - mpich - openmpi - intelmpi - mkl - acml - fftw - libint - libxc - gauxc - libxstream - cosma - scalapack - elpa - cusolvermp - plumed - spfft - spla - gsl - spglib - hdf5 - libvdwxc - sirius - libvori - libtorch - deepmd - ace - dftd4 - tblite - pugixml - libsmeagol - fmt - trexio - libfci - greenx - gmp - mcl With --dry-run option, this script concludes with above report. The setup, toolchain env and conf files are written to /opt/cp2k-toolchain/install. ---> Removed intermediate container 29fb70109739 ---> f87c78fb3177 Step 13/46 : COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/ ---> 14c9508cda54 Step 14/46 : RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build ---> Running in 8e27452e0265 ==================== 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 15.2.0 found Found include directory /usr/include Found lib directory /usr/lib/x86_64-linux-gnu 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-0.3.33.tar.gz -O OpenBLAS-0.3.33.tar.gz OpenBLAS-0.3.33.tar.gz: OK Checksum of OpenBLAS-0.3.33.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 8e27452e0265 ---> 234984358d5f Step 15/46 : COPY ./tools/toolchain/scripts/stage1/ ./scripts/stage1/ ---> 0758ec870212 Step 16/46 : RUN ./scripts/stage1/install_stage1.sh && rm -rf ./build ---> Running in 9dd67e29583c ---> Removed intermediate container 9dd67e29583c ---> 5ff855293614 Step 17/46 : COPY ./tools/toolchain/scripts/stage2/ ./scripts/stage2/ ---> 9c0e7e046a81 Step 18/46 : RUN ./scripts/stage2/install_stage2.sh && rm -rf ./build ---> Running in 0bf60e3b435d ==================== Finding OpenBLAS from system paths ==================== libopenblas is found in ld search path 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 9c0e7e046a81... done. Summary: Docker build had non-zero exit status. Status: FAILED EndDate: 2026-06-16 06:05:57+00:00