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Update CP2K installation path

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This commit is contained in:
Matthias Krack 2026-02-01 20:57:43 +01:00
parent 10126dff3c
commit d2b3edacdf
3 changed files with 6 additions and 6 deletions
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4
ci/cscs_daint_spack_psmp.yaml
View file

@ -82,7 +82,7 @@ regression test cp2k daint:
timeout: 1h
script:
- git --no-pager log -1 --pretty="%nCommitSHA:%x20%H%nCommitTime:%x20%ci%nCommitAuthor:%x20%an%nCommitSubject:%x20%s%n"
- podman run --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} /opt/cp2k/tests/do_regtest.py --cp2kdatadir /opt/cp2k/share/cp2k/data --maxtasks ${SLURM_NTASKS} --mpiexec "mpiexec -bind-to none" --keepalive /opt/cp2k/bin ${VERSION} 2>&1 || true
- podman run --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} /opt/cp2k/tests/do_regtest.py --cp2kdatadir /opt/cp2k/install/share/cp2k/data --maxtasks ${SLURM_NTASKS} --mpiexec "mpiexec -bind-to none" --keepalive /opt/cp2k/install/bin ${VERSION} 2>&1 || true
variables:
SLURM_DEBUG: 1
SLURM_HINT: nomultithread
@ -98,7 +98,7 @@ benchmark cp2k 1 daint node:
timeout: 1h
image: ${CSCS_IMAGE_NAME}
before_script:
- export CP2K_DATA_DIR=/opt/cp2k/share/cp2k/data
- export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data
script:
- cp2k /opt/cp2k/benchmarks/CI/H2O-512_md.inp
variables:

6
ci/cscs_eiger_spack_psmp.yaml
View file

@ -83,7 +83,7 @@ regression test cp2k eiger:
timeout: 1h
script:
- git --no-pager log -1 --pretty="%nCommitSHA:%x20%H%nCommitTime:%x20%ci%nCommitAuthor:%x20%an%nCommitSubject:%x20%s%n"
- podman run --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} /opt/cp2k/tests/do_regtest.py --cp2kdatadir /opt/cp2k/share/cp2k/data --maxtasks ${SLURM_NTASKS} --mpiexec "mpiexec -bind-to none" --keepalive /opt/cp2k/bin ${VERSION} 2>&1 || true
- podman run --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} /opt/cp2k/tests/do_regtest.py --cp2kdatadir /opt/cp2k/install/share/cp2k/data --maxtasks ${SLURM_NTASKS} --mpiexec "mpiexec -bind-to none" --keepalive /opt/cp2k/install/bin ${VERSION} 2>&1 || true
variables:
SLURM_CONSTRAINT: mc
SLURM_DEBUG: 1
@ -100,7 +100,7 @@ benchmark cp2k 1 eiger node:
timeout: 1h
image: ${CSCS_IMAGE_NAME}
before_script:
- export CP2K_DATA_DIR=/opt/cp2k/share/cp2k/data
- export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data
script:
- cp2k /opt/cp2k/benchmarks/CI/H2O-128_md.inp
variables:
@ -122,7 +122,7 @@ benchmark cp2k 2 eiger nodes:
timeout: 1h
image: ${CSCS_IMAGE_NAME}
before_script:
- export CP2K_DATA_DIR=/opt/cp2k/share/cp2k/data
- export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data
script:
- cp2k /opt/cp2k/benchmarks/CI/H2O-512_md.inp
variables:

2
ci/cscs_eiger_spack_ssmp.yaml
View file

@ -81,7 +81,7 @@ regression test cp2k eiger:
timeout: 1h
script:
- git --no-pager log -1 --pretty="%nCommitSHA:%x20%H%nCommitTime:%x20%ci%nCommitAuthor:%x20%an%nCommitSubject:%x20%s%n"
- podman run --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} /opt/cp2k/tests/do_regtest.py --cp2kdatadir /opt/cp2k/share/cp2k/data --maxtasks ${SLURM_NTASKS} --mpiexec "mpiexec -bind-to none" --keepalive /opt/cp2k/bin ${VERSION} 2>&1 || true
- podman run --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} /opt/cp2k/tests/do_regtest.py --cp2kdatadir /opt/cp2k/install/share/cp2k/data --maxtasks ${SLURM_NTASKS} --mpiexec "mpiexec -bind-to none" --keepalive /opt/cp2k/install/bin ${VERSION} 2>&1 || true
variables:
SLURM_CONSTRAINT: mc
SLURM_DEBUG: 1