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Fix Cray tester (#5135)

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Matthias Krack 2026-05-06 09:56:12 +02:00 • committed by GitHub
parent cccd2f3934
commit 565e00f97f
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GPG key ID: B5690EEEBB952194
6 changed files with 10 additions and 6 deletions
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2
ci/cscs_daint_spack_psmp.yaml
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@ -21,7 +21,7 @@ build deps daint:
stage: deps
timeout: 2h
before_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) $(find cmake -type f) | sha256sum - | head -c 16`
- DEPS_IMAGE_TAG=`cat make_cp2k.sh ci/cscs_daint_${TAG}.yaml ci/docker/build_${CI_JOB_STAGE}_${BUILDER}.Dockerfile $(find tools/spack -type f) | sha256sum - | head -c 16`
- export PERSIST_IMAGE_NAME=${CSCS_REGISTRY_PATH}/base/${REPOSITORY}:${TAG}_${DEPS_IMAGE_TAG}
- echo "DEPS_IMAGE_NAME=${PERSIST_IMAGE_NAME}" | tee build.env
artifacts:

2
ci/cscs_daint_spack_psmp_h100.yaml
View file

@ -21,7 +21,7 @@ build deps daint:
stage: deps
timeout: 2h
before_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) $(find cmake -type f) | sha256sum - | head -c 16`
- DEPS_IMAGE_TAG=`cat make_cp2k.sh ci/cscs_daint_${TAG}.yaml ci/docker/build_${CI_JOB_STAGE}_${BUILDER}.Dockerfile $(find tools/spack -type f) | sha256sum - | head -c 16`
- export PERSIST_IMAGE_NAME=${CSCS_REGISTRY_PATH}/base/${REPOSITORY}:${TAG}_${DEPS_IMAGE_TAG}
- echo "DEPS_IMAGE_NAME=${PERSIST_IMAGE_NAME}" | tee build.env
artifacts:

2
ci/cscs_eiger_spack_psmp.yaml
View file

@ -21,7 +21,7 @@ build deps eiger:
stage: deps
timeout: 2h
before_script:
- DEPS_IMAGE_TAG=`cat make_cp2k.sh ci/cscs_eiger_${TAG}.yaml ci/docker/build_${CI_JOB_STAGE}_${BUILDER}.Dockerfile $(find tools/spack -type f) $(find cmake -type f) | sha256sum - | head -c 16`
- DEPS_IMAGE_TAG=`cat make_cp2k.sh ci/cscs_eiger_${TAG}.yaml ci/docker/build_${CI_JOB_STAGE}_${BUILDER}.Dockerfile $(find tools/spack -type f) | sha256sum - | head -c 16`
- export PERSIST_IMAGE_NAME=${CSCS_REGISTRY_PATH}/base/${REPOSITORY}:${TAG}_${DEPS_IMAGE_TAG}
- echo "DEPS_IMAGE_NAME=${PERSIST_IMAGE_NAME}" | tee build.env
artifacts:

2
ci/cscs_eiger_spack_ssmp.yaml
View file

@ -20,7 +20,7 @@ build deps eiger:
stage: deps
timeout: 2h
before_script:
- DEPS_IMAGE_TAG=`cat make_cp2k.sh ci/cscs_eiger_${TAG}.yaml ci/docker/build_${CI_JOB_STAGE}_${BUILDER}.Dockerfile $(find tools/spack -type f) $(find cmake -type f) | sha256sum - | head -c 16`
- DEPS_IMAGE_TAG=`cat make_cp2k.sh ci/cscs_eiger_${TAG}.yaml ci/docker/build_${CI_JOB_STAGE}_${BUILDER}.Dockerfile $(find tools/spack -type f) | sha256sum - | head -c 16`
- export PERSIST_IMAGE_NAME=${CSCS_REGISTRY_PATH}/base/${REPOSITORY}:${TAG}_${DEPS_IMAGE_TAG}
- echo "DEPS_IMAGE_NAME=${PERSIST_IMAGE_NAME}" | tee build.env
artifacts:

6
ci/docker/build_cp2k_spack.Dockerfile
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@ -24,8 +24,12 @@ ENV NUM_PROCS=${NUM_PROCS:-32}
ARG FEATURE_FLAGS
ENV FEATURE_FLAGS=${FEATURE_FLAGS:-}
# Build CP2K
# Update CP2K files
WORKDIR /opt/cp2k
RUN rm -rf benchmarks cmake data src tests tools
COPY . .
# Build CP2K
RUN ./make_cp2k.sh -cray -cv ${CP2K_VERSION} -dlc -j${NUM_PROCS} ${FEATURE_FLAGS}
###### Stage 3: Install CP2K ######

2
make_cp2k.sh
View file

@ -1504,7 +1504,7 @@ else
echo " podman run -it${DEVICE_FLAG} --rm ${IMAGE_TAG} run_tests"
echo ""
if [[ "${VERSION}" == @(sdbg|ssmp) ]]; then
echo "*** A CP2K run using 8 OpenMP threads (default) can be launched with"
echo "*** A CP2K run using 2 OpenMP threads (default) can be launched with"
echo " podman run -it${DEVICE_FLAG} --rm ${IMAGE_TAG} cp2k ${CP2K_ROOT}/benchmarks/CI/H2O-32_md.inp"
else
echo "*** An MPI-parallel CP2K run using 2 OpenMP threads for each of the 4 MPI ranks can be launched with"