comp-chem/cp2k
1
0
Fork 0
mirror of https://github.com/cp2k/cp2k.git synced 2026-07-21 06:25:15 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions

Increase timeouts and timelimits for CSCS CI jobs (#5486)

Browse source
This commit is contained in:
Matthias Krack 2026-06-29 13:49:05 +02:00 • committed by GitHub
parent 1ee2fa6ca7
commit 5576033f5b
No known key found for this signature in database
GPG key ID: B5690EEEBB952194
4 changed files with 32 additions and 32 deletions
Download patch file Download diff file Expand all files Collapse all files

16
ci/cscs_daint_spack_psmp.yaml
View file

@ -19,7 +19,7 @@ variables:
build deps daint:
extends: .container-builder-cscs-gh200
stage: deps
timeout: 2h
timeout: 6h
before_script:
- DEPS_IMAGE_TAG=$(cat make_cp2k.sh ci/cscs_daint_${TAG}.yaml ci/docker/build_deps_spack.Dockerfile $(find tools/spack -type f | sort) | sha256sum | head -c 16)
- export PERSIST_IMAGE_NAME=${CSCS_REGISTRY_PATH}/base/${REPOSITORY}:${TAG}_${DEPS_IMAGE_TAG}
@ -48,7 +48,7 @@ build cp2k daint:
extends: .container-builder-cscs-gh200
stage: cp2k
needs: ["build deps daint"]
timeout: 1h
timeout: 6h
before_script:
- echo ${DOCKERHUB_TOKEN} | podman login docker.io --username ${DOCKERHUB_USERNAME} --password-stdin
after_script:
@ -74,7 +74,7 @@ test cp2k daint:
extends: .baremetal-runner-daint-gh200
stage: test
needs: ["build cp2k daint"]
timeout: 1h
timeout: 6h
script:
- podman run --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} mpiexec -bind-to socket -genv OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK} -n ${SLURM_NTASKS} cp2k /opt/cp2k/benchmarks/CI/H2O-32_md.inp
- podman run --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} mpiexec -bind-to socket -genv OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK} -n ${SLURM_NTASKS} cp2k /opt/cp2k/benchmarks/CI/H2O-32_md_elpa.inp
@ -85,14 +85,14 @@ test cp2k daint:
SLURM_JOB_NUM_NODES: 1
SLURM_NTASKS: 8
SLURM_NTASKS_PER_NODE: 8
SLURM_TIMELIMIT: 10
SLURM_TIMELIMIT: 15
USE_MPI: YES
regression test cp2k daint:
extends: .baremetal-runner-daint-gh200
stage: test
needs: ["build cp2k daint","test cp2k daint"]
timeout: 1h
timeout: 6h
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/install/share/cp2k/data --maxtasks ${SLURM_NTASKS} --mpiexec "mpiexec -bind-to none" --keepalive /opt/cp2k/install/bin ${VERSION} 2>&1 || true
@ -101,14 +101,14 @@ regression test cp2k daint:
SLURM_HINT: nomultithread
SLURM_JOB_NUM_NODES: 1
SLURM_NTASKS: 288
SLURM_TIMELIMIT: 40
SLURM_TIMELIMIT: 60
USE_MPI: YES
benchmark cp2k 1 daint node:
extends: .container-runner-daint-gh200
stage: benchmark
needs: ["build cp2k daint","test cp2k daint"]
timeout: 1h
timeout: 6h
image: ${CSCS_IMAGE_NAME}
before_script:
- export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data
@ -131,7 +131,7 @@ benchmark cp2k 1 daint node elpa:
extends: .container-runner-daint-gh200
stage: benchmark
needs: ["build cp2k daint","test cp2k daint","benchmark cp2k 1 daint node"]
timeout: 1h
timeout: 6h
image: ${CSCS_IMAGE_NAME}
before_script:
- export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data

16
ci/cscs_daint_spack_psmp_h100.yaml
View file

@ -19,7 +19,7 @@ variables:
build deps daint:
extends: .container-builder-cscs-gh200
stage: deps
timeout: 2h
timeout: 6h
before_script:
- DEPS_IMAGE_TAG=$(cat make_cp2k.sh ci/cscs_daint_${TAG}.yaml ci/docker/build_deps_spack.Dockerfile $(find tools/spack -type f | sort) | sha256sum | head -c 16)
- export PERSIST_IMAGE_NAME=${CSCS_REGISTRY_PATH}/base/${REPOSITORY}:${TAG}_${DEPS_IMAGE_TAG}
@ -48,7 +48,7 @@ build cp2k daint:
extends: .container-builder-cscs-gh200
stage: cp2k
needs: ["build deps daint"]
timeout: 1h
timeout: 6h
before_script:
- echo ${DOCKERHUB_TOKEN} | podman login docker.io --username ${DOCKERHUB_USERNAME} --password-stdin
after_script:
@ -74,7 +74,7 @@ test cp2k daint:
extends: .baremetal-runner-daint-gh200
stage: test
needs: ["build cp2k daint"]
timeout: 1h
timeout: 6h
script:
- podman run --device nvidia.com/gpu=0 --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} mpiexec -bind-to socket -genv OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK} -n ${SLURM_NTASKS} cp2k /opt/cp2k/benchmarks/CI/H2O-32_md.inp
- podman run --device nvidia.com/gpu=0 --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} mpiexec -bind-to socket -genv OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK} -n ${SLURM_NTASKS} cp2k /opt/cp2k/benchmarks/CI/H2O-32_md_elpa.inp
@ -85,14 +85,14 @@ test cp2k daint:
SLURM_JOB_NUM_NODES: 1
SLURM_NTASKS: 8
SLURM_NTASKS_PER_NODE: 8
SLURM_TIMELIMIT: 10
SLURM_TIMELIMIT: 15
USE_MPI: YES
regression test cp2k daint:
extends: .baremetal-runner-daint-gh200
stage: test
needs: ["build cp2k daint"]
timeout: 1h
timeout: 6h
script:
- git --no-pager log -1 --pretty="%nCommitSHA:%x20%H%nCommitTime:%x20%ci%nCommitAuthor:%x20%an%nCommitSubject:%x20%s%n"
- podman run --device nvidia.com/gpu=all --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
@ -101,14 +101,14 @@ regression test cp2k daint:
SLURM_HINT: nomultithread
SLURM_JOB_NUM_NODES: 1
SLURM_NTASKS: 224
SLURM_TIMELIMIT: 40
SLURM_TIMELIMIT: 60
USE_MPI: YES
benchmark cp2k 1 daint node:
extends: .container-runner-daint-gh200
stage: benchmark
needs: ["build cp2k daint","test cp2k daint"]
timeout: 1h
timeout: 6h
image: ${CSCS_IMAGE_NAME}
before_script:
- export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data
@ -131,7 +131,7 @@ benchmark cp2k 1 daint node elpa:
extends: .container-runner-daint-gh200
stage: benchmark
needs: ["build cp2k daint","test cp2k daint","benchmark cp2k 1 daint node"]
timeout: 1h
timeout: 6h
image: ${CSCS_IMAGE_NAME}
before_script:
- export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data

20
ci/cscs_eiger_spack_psmp.yaml
View file

@ -19,7 +19,7 @@ variables:
build deps eiger:
extends: .container-builder-cscs-zen2
stage: deps
timeout: 2h
timeout: 6h
before_script:
- DEPS_IMAGE_TAG=$(cat make_cp2k.sh ci/cscs_eiger_${TAG}.yaml ci/docker/build_deps_spack.Dockerfile $(find tools/spack -type f | sort) | sha256sum | head -c 16)
- export PERSIST_IMAGE_NAME=${CSCS_REGISTRY_PATH}/base/${REPOSITORY}:${TAG}_${DEPS_IMAGE_TAG}
@ -48,7 +48,7 @@ build cp2k eiger:
extends: .container-builder-cscs-zen2
stage: cp2k
needs: ["build deps eiger"]
timeout: 1h
timeout: 6h
before_script:
- echo ${DOCKERHUB_TOKEN} | podman login docker.io --username ${DOCKERHUB_USERNAME} --password-stdin
after_script:
@ -74,7 +74,7 @@ test cp2k eiger:
extends: .baremetal-runner-eiger-zen2
stage: test
needs: ["build cp2k eiger"]
timeout: 1h
timeout: 6h
script:
- podman run --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} mpiexec -genv OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK} -n ${SLURM_NTASKS} cp2k /opt/cp2k/benchmarks/CI/H2O-32_md.inp
- podman run --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} mpiexec -genv OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK} -n ${SLURM_NTASKS} cp2k /opt/cp2k/benchmarks/CI/H2O-32_md_elpa.inp
@ -86,14 +86,14 @@ test cp2k eiger:
SLURM_JOB_NUM_NODES: 1
SLURM_NTASKS: 8
SLURM_NTASKS_PER_NODE: 8
SLURM_TIMELIMIT: 10
SLURM_TIMELIMIT: 15
USE_MPI: YES
regression test cp2k eiger:
extends: .baremetal-runner-eiger-zen2
stage: test
needs: ["build cp2k eiger","test cp2k eiger"]
timeout: 1h
timeout: 6h
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/install/share/cp2k/data --maxtasks ${SLURM_NTASKS} --mpiexec "mpiexec -bind-to none" --keepalive /opt/cp2k/install/bin ${VERSION} 2>&1 || true
@ -103,14 +103,14 @@ regression test cp2k eiger:
SLURM_HINT: nomultithread
SLURM_JOB_NUM_NODES: 1
SLURM_NTASKS: 128
SLURM_TIMELIMIT: 40
SLURM_TIMELIMIT: 60
USE_MPI: YES
benchmark cp2k 1 eiger node:
extends: .container-runner-eiger-zen2
stage: benchmark
needs: ["build cp2k eiger","test cp2k eiger","regression test cp2k eiger"]
timeout: 1h
timeout: 6h
image: ${CSCS_IMAGE_NAME}
before_script:
- export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data
@ -132,7 +132,7 @@ benchmark cp2k 1 eiger node elpa:
extends: .container-runner-eiger-zen2
stage: benchmark
needs: ["build cp2k eiger","test cp2k eiger","regression test cp2k eiger","benchmark cp2k 1 eiger node"]
timeout: 1h
timeout: 6h
image: ${CSCS_IMAGE_NAME}
before_script:
- export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data
@ -154,7 +154,7 @@ benchmark cp2k 2 eiger nodes:
extends: .container-runner-eiger-zen2
stage: benchmark
needs: ["build cp2k eiger","test cp2k eiger","regression test cp2k eiger"]
timeout: 1h
timeout: 6h
image: ${CSCS_IMAGE_NAME}
before_script:
- export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data
@ -177,7 +177,7 @@ benchmark cp2k 2 eiger nodes elpa:
extends: .container-runner-eiger-zen2
stage: benchmark
needs: ["build cp2k eiger","test cp2k eiger","regression test cp2k eiger","benchmark cp2k 2 eiger nodes"]
timeout: 1h
timeout: 6h
image: ${CSCS_IMAGE_NAME}
before_script:
- export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data

12
ci/cscs_eiger_spack_ssmp.yaml
View file

@ -18,7 +18,7 @@ variables:
build deps eiger:
extends: .container-builder-cscs-zen2
stage: deps
timeout: 2h
timeout: 6h
before_script:
- DEPS_IMAGE_TAG=$(cat make_cp2k.sh ci/cscs_eiger_${TAG}.yaml ci/docker/build_deps_spack.Dockerfile $(find tools/spack -type f | sort) | sha256sum | head -c 16)
- export PERSIST_IMAGE_NAME=${CSCS_REGISTRY_PATH}/base/${REPOSITORY}:${TAG}_${DEPS_IMAGE_TAG}
@ -47,7 +47,7 @@ build cp2k eiger:
extends: .container-builder-cscs-zen2
stage: cp2k
needs: ["build deps eiger"]
timeout: 1h
timeout: 6h
before_script:
- echo ${DOCKERHUB_TOKEN} | podman login docker.io --username ${DOCKERHUB_USERNAME} --password-stdin
after_script:
@ -73,7 +73,7 @@ test cp2k eiger:
extends: .baremetal-runner-eiger-zen2
stage: test
needs: ["build cp2k eiger"]
timeout: 1h
timeout: 6h
script:
- podman run --env OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK} --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} cp2k /opt/cp2k/benchmarks/CI/H2O-32_md.inp
variables:
@ -84,13 +84,13 @@ test cp2k eiger:
SLURM_JOB_NUM_NODES: 1
SLURM_NTASKS: 1
SLURM_NTASKS_PER_NODE: 1
SLURM_TIMELIMIT: 10
SLURM_TIMELIMIT: 15
regression test cp2k eiger:
extends: .baremetal-runner-eiger-zen2
stage: test
needs: ["build cp2k eiger","test cp2k eiger"]
timeout: 1h
timeout: 6h
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/install/share/cp2k/data --maxtasks ${SLURM_NTASKS} --mpiexec "mpiexec -bind-to none" --keepalive /opt/cp2k/install/bin ${VERSION} 2>&1 || true
@ -100,4 +100,4 @@ regression test cp2k eiger:
SLURM_HINT: nomultithread
SLURM_JOB_NUM_NODES: 1
SLURM_NTASKS: 128
SLURM_TIMELIMIT: 40
SLURM_TIMELIMIT: 60