StartDate: 2024-09-07 06:36:49+00:00 CpuId: 32x AMD EPYC (3rd Gen) (Milan) [Zen 3], 7nm (SMT disabled) CommitSHA: 17fb60b92f0e3b23a925d07c7d59e8d8662078c7 CommitTime: 2024-09-06 23:55:23 +0200 CommitAuthor: Matthias Krack CommitSubject: Relocate lines for package version dump #################### Building Image cp2k-gcc11 #################### Dockerfile: /tools/docker/Dockerfile.test_gcc11 Build-Path: / Build-Args: GIT_COMMIT_SHA=17fb60b92f0e3b23a925d07c7d59e8d8662078c7 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 394.7MB Step 1/17 : FROM ubuntu:24.04 24.04: Pulling from library/ubuntu 31e907dcc94a: Pulling fs layer 31e907dcc94a: Download complete 31e907dcc94a: Pull complete Digest: sha256:8a37d68f4f73ebf3d4efafbcf66379bf3728902a8038616808f04e34a9ab63ee Status: Downloaded newer image for ubuntu:24.04 ---> edbfe74c41f8 Step 2/17 : 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-11 g++-11 gfortran-11 libfftw3-dev libopenblas-dev libint2-dev libxc-dev libxsmm-dev libspglib-f08-dev && rm -rf /var/lib/apt/lists/* ---> Using cache ---> 2313c18a1441 Step 3/17 : RUN ln -sf /usr/bin/gcc-11 /usr/local/bin/gcc && ln -sf /usr/bin/g++-11 /usr/local/bin/g++ && ln -sf /usr/bin/gfortran-11 /usr/local/bin/gfortran ---> Using cache ---> f89dafa94a84 Step 4/17 : COPY ./tools/docker/scripts/install_dbcsr.sh ./ ---> Using cache ---> bd70e0613d8f Step 5/17 : RUN ./install_dbcsr.sh ---> Using cache ---> ae3198480774 Step 6/17 : WORKDIR /opt/cp2k ---> Using cache ---> eb43858508a9 Step 7/17 : COPY ./src ./src ---> 0f050b610697 Step 8/17 : COPY ./data ./data ---> 1a2b026c30a7 Step 9/17 : COPY ./tests ./tests ---> c78a0a8bd7ed Step 10/17 : COPY ./tools/build_utils ./tools/build_utils ---> b6884d32025b Step 11/17 : COPY ./cmake ./cmake ---> b9aa8604dda1 Step 12/17 : COPY ./CMakeLists.txt . ---> 3264299e9006 Step 13/17 : ARG TESTOPTS="" ---> Running in 18ae47611f19 Removing intermediate container 18ae47611f19 ---> eae4e758be84 Step 14/17 : COPY ./tools/docker/scripts/build_cp2k_cmake.sh ./tools/docker/scripts/test_regtest_cmake.sh ./ ---> af26d2a29d8c Step 15/17 : RUN /bin/bash -o pipefail -c " TESTOPTS='${TESTOPTS}' ./test_regtest_cmake.sh ubuntu ssmp |& tee report.log && rm -rf regtesting" ---> Running in 2e1ee7bd6680 ==================== Building CP2K ==================== -- The Fortran compiler identification is GNU 11.4.0 -- The C compiler identification is GNU 11.4.0 -- The CXX compiler identification is GNU 11.4.0 -- Detecting Fortran compiler ABI info -- Detecting Fortran compiler ABI info - done -- Check for working Fortran compiler: /usr/local/bin/gfortran - skipped -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/local/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: /usr/local/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: /usr/bin/python3 (found version "3.12.3") found components: Interpreter -- Checking for module 'openblas' -- Found openblas, version 0.3.26 -- Found OpenBLAS: /usr/include/x86_64-linux-gnu -- Found Blas: /usr/lib/x86_64-linux-gnu/openblas-pthread/libopenblas.so -- Found Lapack: /usr/lib/x86_64-linux-gnu/openblas-pthread/libopenblas.so -- Checking for module 'libxsmm' -- Found libxsmm, version 1.17.0 -- Checking for module 'libxsmmext' -- Found libxsmmext, version 1.17.0 -- Checking for module 'libxsmmf' -- Found libxsmmf, version 1.17.0 -- Checking for module 'libxsmmnoblas' -- Found libxsmmnoblas, version 1.17.0 -- Found LibXSMM: /usr/include -- Using libxsmm for Small Matrix Multiplication -- 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 -- 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 modules 'libxcf90;libxcf03;libxc>=6' -- Package dependency requirement 'libxc >= 6' could not be satisfied. Package 'libxc' has version '5.2.3', required version is '>= 6' -- Found LibXC: ON (Required is exact version "6") -- 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: /usr/include -- Checking for module 'libint2' -- Found libint2, version 2.7.2 -- Found Libint2: /usr/include;/usr/include/libint2;/usr/include/eigen3 -- Setting build type to 'Release' as none was specified. -- 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 AND LAPACK - vendor : OpenBLAS - include directories : - libraries : /usr/lib/x86_64-linux-gnu/openblas-pthread/libopenblas.so /usr/lib/x86_64-linux-gnu/openblas-pthread/libopenblas.so - LIBXC (note to package managers : libxc can be build with cmake as well) - include directories : /usr/include - libraries : /usr/lib/x86_64-linux-gnu/libxcf03.so;/usr/lib/x86_64-linux-gnu/libxcf90.so;/usr/lib/x86_64-linux-gnu/libxc.so - FFTW3 - include directories : /usr/include - libraries : /usr/lib/x86_64-linux-gnu/libfftw3.so - libxsmm - include directories : /usr/include - libraries : /usr/lib/libxsmmext.a;/usr/lib/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;/usr/lib/libxsmmf.a;/usr/lib/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 - libint2 - include directories : /usr/include;/usr/include/libint2;/usr/include/eigen3 - libraries : /usr/lib/x86_64-linux-gnu/libint2.so -------------------------------------------------------------------- - - - List of dependencies not included in this build - - - -------------------------------------------------------------------- - MPI - DFTD4 - SIRIUS - SPGLIB - COSMA - SPLA - GPU acceleration is disabled - ELPA - DLAF - PLUMED - QUIP - LIBVORI - PEXSI - SUPERLU - libtorch To run the regtests you need to run the following commands cd .. export CP2K_DATA_DIR=/opt/cp2k/data/ ./tests/do_regtest.py /opt/cp2k/build/bin ssmp -- Configuring done (2.6s) -- Generating done (0.2s) -- Build files have been written to: /opt/cp2k/build Compiling cp2k...failed. ...... 60 | double pab_prep[n2_prep][n1_prep]) { | ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from /opt/cp2k/src/grid/cpu/grid_cpu_prepare_pab.c:13: /opt/cp2k/src/grid/cpu/grid_cpu_prepare_pab.h:40:53: note: previously declared as 'double[n2_prep][n1_prep]' with bound argument 13 39 | const double pab[n2][n1], const int n1_prep, | ~~~~~~~~~~~~~~~~~ 40 | const int n2_prep, double pab_prep[n2_prep][n1_prep]); | ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~ [2561/3832] /usr/local/bin/gcc -D__COMPILE_ARCH=\"x86_64\" -D__COMPILE_DATE="\"2024-09-07 06:37:59\"" -D__COMPILE_HOST=\"\" -D__COMPILE_REVISION=\"\" -D__DATA_DIR=\"/opt/cp2k/share/cp2k/data\" -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -Dcp2k_EXPORTS -I/opt/cp2k/src -I/opt/cp2k/build/src -I/opt/cp2k/src/base -I/opt/cp2k/src/common 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src/mod_files/machine.mod /usr/local/bin/gfortran -I/opt/cp2k/build/src/base -I/opt/cp2k/src -I/opt/cp2k/build/src -I/opt/cp2k/src/base -I/opt/cp2k/src/common -I/opt/cp2k/src/dbcsrx -I/opt/cp2k/src/motion -I/opt/cp2k/src/dbm -I/opt/cp2k/build/src/mod_files -I/usr/include -I/usr/include/libint2 -I/usr/include/eigen3 -I/opt/dbcsr/include -I/usr/include/x86_64-linux-gnu -O3 -O3 -Jsrc/mod_files -fPIC -mtune=native -ffree-line-length-512 -ffree-form -std=f2008 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=conversion -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -fallow-argument-mismatch -O3 -g -funroll-loops -fopenmp -fpreprocessed -c src/CMakeFiles/cp2k.dir/base/machine.F-pp.f -o src/CMakeFiles/cp2k.dir/base/machine.F.o /opt/cp2k/src/base/machine.F:32:74: 32 | LIBXSMM_X86_SSE4, LIBXSMM_X86_AVX, LIBXSMM_X86_AVX2, 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'libxsmm_aarch64_allfeat' referenced at (1) not found in module 'libxsmm' /opt/cp2k/src/base/machine.F:189:67: 189 | ELSE IF (2401 <= cpuid .AND. cpuid <= LIBXSMM_AARCH64_ALLFEAT) THEN | 1 Error: Symbol 'libxsmm_aarch64_allfeat' at (1) has no IMPLICIT type /opt/cp2k/src/base/machine.F:185:80: 185 | ELSE IF (LIBXSMM_AARCH64_V81 <= cpuid .AND. cpuid < LIBXSMM_AARCH64_SVE128) THEN | 1 Error: Symbol 'libxsmm_aarch64_sve128' at (1) has no IMPLICIT type /opt/cp2k/src/base/machine.F:185:34: 185 | ELSE IF (LIBXSMM_AARCH64_V81 <= cpuid .AND. cpuid < LIBXSMM_AARCH64_SVE128) THEN | 1 Error: Symbol 'libxsmm_aarch64_v81' at (1) has no IMPLICIT type /opt/cp2k/src/base/machine.F:183:81: 183 | ELSE IF (LIBXSMM_X86_AVX512_SKX <= cpuid .AND. cpuid <= LIBXSMM_X86_ALLFEAT) THEN | 1 Error: Symbol 'libxsmm_x86_allfeat' at (1) has no IMPLICIT type /opt/cp2k/src/base/machine.F:181:77: 181 | ELSE IF (LIBXSMM_X86_AVX2 <= cpuid .AND. cpuid < LIBXSMM_X86_AVX512_SKX) THEN | 1 Error: Symbol 'libxsmm_x86_avx512_skx' 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-Werror=unused-but-set-variable -Werror=unused-variable -fallow-argument-mismatch -O3 -g -funroll-loops -fopenmp -fpreprocessed -c src/CMakeFiles/cp2k.dir/common/string_utilities.F-pp.f -o src/CMakeFiles/cp2k.dir/common/string_utilities.F.o ninja: build stopped: subcommand failed. Summary: Compilation failed. Status: FAILED Removing intermediate container 2e1ee7bd6680 ---> 15bde82980d9 Step 16/17 : CMD cat $(find ./report.log -mmin +10) | sed '/^Summary:/ s/$/ (cached)/' ---> Running in 8e16cfe3aafa Removing intermediate container 8e16cfe3aafa ---> b01c177f6454 Step 17/17 : ENTRYPOINT [] ---> Running in 18e9c3998999 Removing intermediate container 18e9c3998999 ---> d1ed0bf16632 [Warning] One or more build-args [GIT_COMMIT_SHA] were not consumed Successfully built d1ed0bf16632 Successfully tagged us-central1-docker.pkg.dev/cp2k-org-project/cp2kci/img_cp2k-gcc11:master Pushing new image... done. #################### Running Image cp2k-gcc11 #################### Uploading artifacts... done EndDate: 2024-09-07 06:38:27+00:00