StartDate: 2024-07-26 16:51:20+00:00 CpuId: 32x AMD EPYC (3rd Gen) (Milan) [Zen 3], 7nm (SMT disabled) CommitSHA: 91e7f8608daa2f00eb3dc7b22e3beb1e76dfc542 CommitTime: 2024-07-26 16:46:21 +0200 CommitAuthor: Matthias Krack CommitSubject: Update Alps/Eiger arch files #################### Building Image cp2k-gcc8 #################### Dockerfile: /tools/docker/Dockerfile.test_gcc8 Build-Path: / Build-Args: GIT_COMMIT_SHA=91e7f8608daa2f00eb3dc7b22e3beb1e76dfc542 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 394MB Step 1/44 : FROM ubuntu:20.04 20.04: Pulling from library/ubuntu 9ea8908f4765: Pulling fs layer 9ea8908f4765: Verifying Checksum 9ea8908f4765: Download complete 9ea8908f4765: Pull complete Digest: sha256:0b897358ff6624825fb50d20ffb605ab0eaea77ced0adb8c6a4b756513dec6fc Status: Downloaded newer image for ubuntu:20.04 ---> 5f5250218d28 Step 2/44 : RUN export DEBIAN_FRONTEND=noninteractive DEBCONF_NONINTERACTIVE_SEEN=true && apt-get update -qq && apt-get install -qq --no-install-recommends cmake gcc-8 g++-8 gfortran-8 libfftw3-dev libopenblas-dev libgsl-dev libhdf5-dev && rm -rf /var/lib/apt/lists/* ---> Using cache ---> 10ad63845dc1 Step 3/44 : RUN ln -sf /usr/bin/gcc-8 /usr/local/bin/gcc && ln -sf /usr/bin/g++-8 /usr/local/bin/g++ && ln -sf /usr/bin/gfortran-8 /usr/local/bin/gfortran ---> Using cache ---> d92135eb2216 Step 4/44 : WORKDIR /opt/cp2k-toolchain ---> Using cache ---> c277d43a083f Step 5/44 : COPY ./tools/toolchain/install_requirements*.sh ./ ---> Using cache ---> b63815d95a7c Step 6/44 : RUN ./install_requirements.sh ubuntu ---> Using cache ---> 3614c15523cf Step 7/44 : RUN mkdir scripts ---> Using cache ---> dc2aaeb756eb 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 ./scripts/ ---> Using cache ---> 261f79aaf771 Step 9/44 : COPY ./tools/toolchain/install_cp2k_toolchain.sh . ---> 378975bd68ec Step 10/44 : RUN ./install_cp2k_toolchain.sh --mpi-mode=no --with-gcc=system --with-cmake=system --with-fftw=system --with-openblas=system --with-gsl=system --with-hdf5=system --with-libgrpp=no --with-libint=install --with-libxc=install --with-libxsmm=install --with-libvori=install --with-spglib=no --dry-run ---> Running in 2d7899114eb2 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 WARNING: (./install_cp2k_toolchain.sh, line 349) No MPI installation detected (ignore this message in Cray Linux Environment or when MPI installation was requested). Compiling with 32 processes for target native. Wrote only configuration files (--dry-run). Removing intermediate container 2d7899114eb2 ---> 5f26d9a5830b Step 11/44 : COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/ ---> 069563833cf5 Step 12/44 : RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build ---> Running in a1f7007b1660 ==================== 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 Found include directory /usr/include Step gcc took 0.00 seconds. Step intel took 0.00 seconds. ==================== Getting proc arch info using OpenBLAS tools ==================== wget --quiet https://www.cp2k.org/static/downloads/OpenBLAS-0.3.27.tar.gz OpenBLAS-0.3.27.tar.gz: OK Checksum of OpenBLAS-0.3.27.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. Ninja required for DFTD4 Step ninja took 0.00 seconds. Removing intermediate container a1f7007b1660 ---> e80eaccea47c Step 13/44 : COPY ./tools/toolchain/scripts/stage1/ ./scripts/stage1/ ---> d4bcd7087e2c Step 14/44 : RUN ./scripts/stage1/install_stage1.sh && rm -rf ./build ---> Running in eecd13e76e98 Removing intermediate container eecd13e76e98 ---> 9ca03f675e3c Step 15/44 : COPY ./tools/toolchain/scripts/stage2/ ./scripts/stage2/ ---> 59b72f973bab Step 16/44 : RUN ./scripts/stage2/install_stage2.sh && rm -rf ./build ---> Running in b351c6be6bcf ==================== Finding LAPACK from system paths ==================== libopenblas is found in ld search path Step openblas took 0.00 seconds. Removing intermediate container b351c6be6bcf ---> 6e8737cab54a Step 17/44 : COPY ./tools/toolchain/scripts/stage3/ ./scripts/stage3/ ---> 0fb6eaed7e4d Step 18/44 : RUN ./scripts/stage3/install_stage3.sh && rm -rf ./build ---> Running in 9003c3d960ec ==================== Finding FFTW from system paths ==================== libfftw3 is found in ld search path libfftw3_omp is found in ld search path Found include directory /usr/include Step fftw took 0.00 seconds. ==================== Installing LIBINT ==================== wget --quiet https://www.cp2k.org/static/downloads/libint-v2.6.0-cp2k-lmax-5.tgz libint-v2.6.0-cp2k-lmax-5.tgz: OK Checksum of libint-v2.6.0-cp2k-lmax-5.tgz Ok Installing from scratch into /opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5 Step libint took 211.00 seconds. ==================== Installing LIBXC ==================== wget --quiet https://www.cp2k.org/static/downloads/libxc-6.2.2.tar.gz libxc-6.2.2.tar.gz: OK Checksum of libxc-6.2.2.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/libxc-6.2.2 Step libxc took 48.00 seconds. Step libgrpp took 0.00 seconds. Removing intermediate container 9003c3d960ec ---> 29ce2532ad11 Step 19/44 : COPY ./tools/toolchain/scripts/stage4/ ./scripts/stage4/ ---> 8900d1e3949f Step 20/44 : RUN ./scripts/stage4/install_stage4.sh && rm -rf ./build ---> Running in de28f6d4941c ==================== Installing Libxsmm ==================== wget --quiet https://www.cp2k.org/static/downloads/libxsmm-1.17.tar.gz libxsmm-1.17.tar.gz: OK Checksum of libxsmm-1.17.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/libxsmm-1.17 Step libxsmm took 11.00 seconds. Step scalapack took 0.00 seconds. Step cosma took 0.00 seconds. Removing intermediate container de28f6d4941c ---> e2b92e87b116 Step 21/44 : COPY ./tools/toolchain/scripts/stage5/ ./scripts/stage5/ ---> e63a969250c5 Step 22/44 : RUN ./scripts/stage5/install_stage5.sh && rm -rf ./build ---> Running in 241d1057b0ff WARNING: (./scripts/stage5/install_elpa.sh, line 31) MPI is disabled, skipping elpa installation Step ptscotch took 0.00 seconds. Step superlu took 0.00 seconds. Step pexsi took 0.00 seconds. Removing intermediate container 241d1057b0ff ---> 3e8221e425da Step 23/44 : COPY ./tools/toolchain/scripts/stage6/ ./scripts/stage6/ ---> 38e648214a57 Step 24/44 : RUN ./scripts/stage6/install_stage6.sh && rm -rf ./build ---> Running in ea10af1c4a3a Step quip took 0.00 seconds. ==================== Finding gsl from system paths ==================== path to pkg-config is /usr/bin/pkg-config Step gsl took 0.00 seconds. Step plumed took 0.00 seconds. Step deepmd took 0.00 seconds. Removing intermediate container ea10af1c4a3a ---> 634092d74ae8 Step 25/44 : COPY ./tools/toolchain/scripts/stage7/ ./scripts/stage7/ ---> 47f95c71b532 Step 26/44 : RUN ./scripts/stage7/install_stage7.sh && rm -rf ./build ---> Running in 4ea83f8818be ==================== Finding hdf5 from system paths ==================== path to pkg-config is /usr/bin/pkg-config Step hdf5 took 0.00 seconds. Step libvdwxc took 0.00 seconds. Step spglib took 0.00 seconds. ==================== Installing libvori ==================== wget --quiet https://www.cp2k.org/static/downloads/libvori-220621.tar.gz libvori-220621.tar.gz: OK Checksum of libvori-220621.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/libvori-220621 Step libvori took 15.00 seconds. Step libtorch took 0.00 seconds. Removing intermediate container 4ea83f8818be ---> 3f45ef4ffb7c Step 27/44 : COPY ./tools/toolchain/scripts/stage8/ ./scripts/stage8/ ---> ef563cf98d28 Step 28/44 : RUN ./scripts/stage8/install_stage8.sh && rm -rf ./build ---> Running in 2e1410ab6c75 Step spfft took 0.00 seconds. Step spla took 0.00 seconds. WARNING: (./scripts/stage8/install_sirius.sh, line 19) MPI is disabled, skipping sirius installation Step dftd4 took 0.00 seconds. Removing intermediate container 2e1410ab6c75 ---> 683dbe5c1162 Step 29/44 : COPY ./tools/toolchain/scripts/arch_base.tmpl ./tools/toolchain/scripts/generate_arch_files.sh ./scripts/ ---> 5845d6477a23 Step 30/44 : RUN ./scripts/generate_arch_files.sh && rm -rf ./build ---> Running in dd88943c8713 ==================== generating arch files ==================== arch files can be found in the /opt/cp2k-toolchain/install/arch subdirectory Wrote /opt/cp2k-toolchain/install/arch/local.ssmp Wrote /opt/cp2k-toolchain/install/arch/local_static.ssmp Wrote /opt/cp2k-toolchain/install/arch/local.sdbg Wrote /opt/cp2k-toolchain/install/arch/local_asan.ssmp Wrote /opt/cp2k-toolchain/install/arch/local_coverage.sdbg ========================== usage ========================= Done! Now copy: cp /opt/cp2k-toolchain/install/arch/* to the cp2k/arch/ directory To use the installed tools and libraries and cp2k version compiled with it you will first need to execute at the prompt: source /opt/cp2k-toolchain/install/setup To build CP2K you should change directory: cd cp2k/ make -j 32 ARCH=local VERSION="ssmp sdbg" arch files for GPU enabled CUDA versions are named "local_cuda.*" arch files for GPU enabled HIP versions are named "local_hip.*" arch files for OpenCL (GPU) versions are named "local_opencl.*" arch files for coverage versions are named "local_coverage.*" Note that these pre-built arch files are for the GNU compiler, users have to adapt them for other compilers. It is possible to use the provided CP2K arch files as guidance. Removing intermediate container dd88943c8713 ---> ca19c0a4c308 Step 31/44 : WORKDIR /opt/cp2k ---> Running in c1c6fc7017e1 Removing intermediate container c1c6fc7017e1 ---> d6c50ade2188 Step 32/44 : COPY ./Makefile . ---> 5648d09bf94a Step 33/44 : COPY ./src ./src ---> 130f5224ac34 Step 34/44 : COPY ./exts ./exts ---> 38fb5824ab47 Step 35/44 : COPY ./tools/build_utils ./tools/build_utils ---> fe198cf1e90c Step 36/44 : RUN /bin/bash -c " mkdir -p arch && ln -vs /opt/cp2k-toolchain/install/arch/local.ssmp ./arch/" ---> Running in df4c27449c17 './arch/local.ssmp' -> '/opt/cp2k-toolchain/install/arch/local.ssmp' Removing intermediate container df4c27449c17 ---> 13c10169e87b Step 37/44 : COPY ./data ./data ---> e381b99ae763 Step 38/44 : COPY ./tests ./tests ---> 5f2f3b293b87 Step 39/44 : COPY ./tools/regtesting ./tools/regtesting ---> 289681dabdf8 Step 40/44 : ARG TESTOPTS="--skipdir=QS/regtest-rs-dhft" ---> Running in 7374d0ec7656 Removing intermediate container 7374d0ec7656 ---> ded4f2c5423a Step 41/44 : COPY ./tools/docker/scripts/test_regtest.sh ./ ---> 95e6ea406ef1 Step 42/44 : RUN /bin/bash -o pipefail -c " TESTOPTS='${TESTOPTS}' ./test_regtest.sh 'local' 'ssmp' |& tee report.log && rm -rf regtesting" ---> Running in 3241e2333a60 Compiling cp2k... failed. /usr/bin/env python3 /opt/cp2k/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n --line-marker-format=gfortran5 /opt/cp2k/exts/dbcsr/src/tas/dbcsr_tas_mm.F dbcsr_tas_mm.F90 /usr/local/bin/gfortran -c -fno-omit-frame-pointer -fopenmp -g -march=native -mtune=native -O3 -funroll-loops -I'/usr/include' -I'/opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/opt/cp2k-toolchain/install/libxc-6.2.2/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.17/include' -I/usr/lib/x86_64-linux-gnu/hdf5/serial/include -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBXC -D__HDF5 -D__LIBVORI -D__SHORT_FILE__="\"dbcsr_tests.F\"" -I'/opt/cp2k/exts/dbcsr/src/ops/' -I'/opt/cp2k/exts/dbcsr/src' dbcsr_tests.F90 /usr/local/bin/gfortran -c -fno-omit-frame-pointer -fopenmp -g -march=native -mtune=native -O3 -funroll-loops -I'/usr/include' -I'/opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/opt/cp2k-toolchain/install/libxc-6.2.2/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.17/include' -I/usr/lib/x86_64-linux-gnu/hdf5/serial/include -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBXC -D__HDF5 -D__LIBVORI -D__SHORT_FILE__="\"dbcsr_tas_mm.F\"" -I'/opt/cp2k/exts/dbcsr/src/tas/' -I'/opt/cp2k/exts/dbcsr/src' dbcsr_tas_mm.F90 /usr/bin/env python3 /opt/cp2k/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n --line-marker-format=gfortran5 /opt/cp2k/exts/dbcsr/src/dbcsr_api.F dbcsr_api.F90 /usr/local/bin/gfortran -c -fno-omit-frame-pointer -fopenmp -g -march=native -mtune=native -O3 -funroll-loops -I'/usr/include' -I'/opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/opt/cp2k-toolchain/install/libxc-6.2.2/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.17/include' -I/usr/lib/x86_64-linux-gnu/hdf5/serial/include -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBXC -D__HDF5 -D__LIBVORI -D__SHORT_FILE__="\"dbcsr_api.F\"" -I'/opt/cp2k/exts/dbcsr/src/' -I'/opt/cp2k/exts/dbcsr/src' dbcsr_api.F90 /usr/bin/env python3 /opt/cp2k/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n --line-marker-format=gfortran5 /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F dbcsr_tensor_types.F90 /usr/bin/env python3 /opt/cp2k/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n --line-marker-format=gfortran5 /opt/cp2k/exts/dbcsr/src/tas/dbcsr_tas_test.F dbcsr_tas_test.F90 /usr/local/bin/gfortran -c -fno-omit-frame-pointer -fopenmp -g -march=native -mtune=native -O3 -funroll-loops -I'/usr/include' -I'/opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/opt/cp2k-toolchain/install/libxc-6.2.2/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.17/include' -I/usr/lib/x86_64-linux-gnu/hdf5/serial/include -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBXC -D__HDF5 -D__LIBVORI -D__SHORT_FILE__="\"dbcsr_tas_test.F\"" -I'/opt/cp2k/exts/dbcsr/src/tas/' -I'/opt/cp2k/exts/dbcsr/src' dbcsr_tas_test.F90 /usr/local/bin/gfortran -c -fno-omit-frame-pointer -fopenmp -g -march=native -mtune=native -O3 -funroll-loops -I'/usr/include' -I'/opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/opt/cp2k-toolchain/install/libxc-6.2.2/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.17/include' -I/usr/lib/x86_64-linux-gnu/hdf5/serial/include -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBXC -D__HDF5 -D__LIBVORI -D__SHORT_FILE__="\"dbcsr_tensor_types.F\"" -I'/opt/cp2k/exts/dbcsr/src/tensors/' -I'/opt/cp2k/exts/dbcsr/src' dbcsr_tensor_types.F90 /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:27:7: USE dbcsr_tas_base, ONLY: & 1 Error: Invalid initialization expression for ALLOCATABLE component 'tas_split_info' in structure constructor at (1) /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:27:7: USE dbcsr_tas_base, ONLY: & 1 Error: Invalid initialization expression for ALLOCATABLE component 'tas_split_info' in structure constructor at (1) /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:664:22: dist%pgrid = pgrid_prv 1 Error: 'pgrid' at (1) is not a member of the 'dbcsr_t_distribution_type' structure /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:708:52: CALL dbcsr_t_pgrid_destroy(dist%pgrid) 1 Error: 'pgrid' at (1) is not a member of the 'dbcsr_t_distribution_type' structure /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:711:52: CALL dbcsr_t_pgrid_destroy(dist%pgrid, keep_comm=.TRUE.) 1 Error: 'pgrid' at (1) is not a member of the 'dbcsr_t_distribution_type' structure /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:739:38: dbcsr_t_distribution%pgrid = tensor%pgrid 1 Error: 'pgrid' at (1) is not a member of the 'dbcsr_t_distribution_type' structure /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:807:48: CALL mp_environ_pgrid(dist_new%pgrid, pdims, task_coor) 1 Error: 'pgrid' at (1) is not a member of the 'dbcsr_t_distribution_type' structure /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:847:24: tensor%pgrid = dist_new%pgrid 1 Error: 'pgrid' at (1) is not a member of the 'dbcsr_t_type' structure /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:948:27: tensor%pgrid = tensor_in%pgrid 1 Error: 'pgrid' at (1) is not a member of the 'dbcsr_t_type' structure /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:1065:54: CALL dbcsr_t_pgrid_destroy(tensor%pgrid) 1 Error: 'pgrid' at (1) is not a member of the 'dbcsr_t_type' structure /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:1070:54: CALL dbcsr_t_pgrid_destroy(tensor%pgrid, keep_comm=.TRUE.) 1 Error: 'pgrid' at (1) is not a member of the 'dbcsr_t_type' structure /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:1350:78: CALL dbcsr_t_distribution_new_expert(dist_out, dist_in%pgrid, map1_2d, map2_2d, ${varlist("dist", nmax=ndim)}$) 1 Error: 'pgrid' at (1) is not a member of the 'dbcsr_t_distribution_type' structure /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:1350:78: CALL dbcsr_t_distribution_new_expert(dist_out, dist_in%pgrid, map1_2d, map2_2d, ${varlist("dist", nmax=ndim)}$) 1 Error: 'pgrid' at (1) is not a member of the 'dbcsr_t_distribution_type' structure /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:1350:78: CALL dbcsr_t_distribution_new_expert(dist_out, dist_in%pgrid, map1_2d, map2_2d, ${varlist("dist", nmax=ndim)}$) 1 Error: 'pgrid' at (1) is not a member of the 'dbcsr_t_distribution_type' structure /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:1350:78: CALL dbcsr_t_distribution_new_expert(dist_out, dist_in%pgrid, map1_2d, map2_2d, ${varlist("dist", nmax=ndim)}$) 1 Error: 'pgrid' at (1) is not a member of the 'dbcsr_t_distribution_type' structure /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:1442:88: IF (PRESENT(my_ploc) .OR. PRESENT(pdims)) CALL mp_environ_pgrid(tensor%pgrid, pdims_tmp, my_ploc_tmp) 1 Error: 'pgrid' at (1) is not a member of the 'dbcsr_t_type' structure /opt/cp2k/exts/dbcsr/src/tensors/dbcsr_tensor_types.F:1575:32: nproc = tensor%pgrid%nproc 1 Error: 'pgrid' at (1) is not a member of the 'dbcsr_t_type' structure make[4]: *** [/opt/cp2k/exts/build_dbcsr//Makefile:267: dbcsr_tensor_types.o] Error 1 make[4]: *** Waiting for unfinished jobs.... make[3]: *** [/opt/cp2k/exts/build_dbcsr/Makefile:188: libdbcsr] Error 2 make[2]: *** [/opt/cp2k/exts/Makefile.inc:38: dbcsr] Error 2 make[1]: *** [/opt/cp2k/Makefile:128: ssmp] Error 2 make: *** [Makefile:123: all] Error 2 Summary: Compilation failed. Status: FAILED Removing intermediate container 3241e2333a60 ---> 06cb53a53efa Step 43/44 : CMD cat $(find ./report.log -mmin +10) | sed '/^Summary:/ s/$/ (cached)/' ---> Running in 6079111284f4 Removing intermediate container 6079111284f4 ---> c5ee8061fd3a Step 44/44 : ENTRYPOINT [] ---> Running in 94e355d73ca1 Removing intermediate container 94e355d73ca1 ---> 95be15b03307 [Warning] One or more build-args [GIT_COMMIT_SHA] were not consumed Successfully built 95be15b03307 Successfully tagged us-central1-docker.pkg.dev/cp2k-org-project/cp2kci/img_cp2k-gcc8:master Pushing new image... done. #################### Running Image cp2k-gcc8 #################### Uploading artifacts... done EndDate: 2024-07-26 16:58:03+00:00