From 36a824a3d9a40d380a0a2c88a20855e1c4c2d64e Mon Sep 17 00:00:00 2001 From: Jakob Fritz Date: Wed, 29 Jan 2025 15:19:09 +0100 Subject: [PATCH 1/7] Bumped to Stage2025 By this, also changed version of FFTW (as the previous one seems to not be included in Stage 2025) --- .gitlab-ci.yml | 6 +++--- pySDC/projects/GPU/etc/venv_booster/modules.sh | 2 +- pySDC/projects/GPU/etc/venv_booster/setup.sh | 6 +++--- pySDC/projects/GPU/etc/venv_jusuf/modules.sh | 2 +- pySDC/projects/GPU/etc/venv_jusuf/setup.sh | 2 +- pySDC/projects/Resilience/venv/modules.sh | 2 +- pySDC/projects/Resilience/venv/setup.sh | 2 +- 7 files changed, 11 insertions(+), 11 deletions(-) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index bd4adb4dd9..6acd3a5bc5 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -28,7 +28,7 @@ prepare_JUWELS: script: - mkdir -p benchmarks - module --force purge - - module load Stages/2024 + - module load Stages/2025 - module load GCC - module load OpenMPI - module load FFTW @@ -43,7 +43,7 @@ prepare_JUWELS: - git submodule add -f https://github.com/brownbaerchen/mpi4py-fft.git - cd mpi4py-fft - git checkout cupy_implementation - - FFTW_LIBRARY_DIR="/p/software/juwels/stages/2024/software/FFTW/3.3.10-GCC-12.3.0/lib64" pip install --force-reinstall . + - FFTW_LIBRARY_DIR="/p/software/juwels/stages/2025/software/FFTW/3.3.10-GCC-13.3.0/lib64" pip install --force-reinstall . - cd ../ @@ -78,7 +78,7 @@ test_JUWELS: before_script: - mkdir -p benchmarks - module --force purge - - module load Stages/2024 + - module load Stages/2025 - module load GCC - module load OpenMPI - module load FFTW diff --git a/pySDC/projects/GPU/etc/venv_booster/modules.sh b/pySDC/projects/GPU/etc/venv_booster/modules.sh index b8a11a925e..740f8d88e6 100644 --- a/pySDC/projects/GPU/etc/venv_booster/modules.sh +++ b/pySDC/projects/GPU/etc/venv_booster/modules.sh @@ -1,5 +1,5 @@ module --force purge -module load Stages/2024 +module load Stages/2025 module load GCC module load ParaStationMPI module load NCCL diff --git a/pySDC/projects/GPU/etc/venv_booster/setup.sh b/pySDC/projects/GPU/etc/venv_booster/setup.sh index 1e0644490c..7dba80b61c 100755 --- a/pySDC/projects/GPU/etc/venv_booster/setup.sh +++ b/pySDC/projects/GPU/etc/venv_booster/setup.sh @@ -12,9 +12,9 @@ python3 -m venv --prompt "$ENV_NAME" --system-site-packages "${ENV_DIR}" source "${ABSOLUTE_PATH}"/activate.sh -# FFTW_LIBRARY_DIR="/p/software/jusuf/stages/2024/software/FFTW/3.3.10-GCC-12.3.0/lib64" python3 -m pip install -e /p/project/ccstma/baumann7/mpi4py-fft -# FFTW_LIBRARY_DIR="/p/software/juwels/stages/2024/software/FFTW/3.3.10-GCC-12.3.0/lib64/" python3 -m pip install -e /p/project/ccstma/baumann7/mpi4py-fft -FFTW_LIBRARY_DIR="/p/software/juwelsbooster/stages/2024/software/FFTW/3.3.10-GCC-12.3.0/lib64/" python3 -m pip install -e /p/project1/ccstma/baumann7/mpi4py-fft +# FFTW_LIBRARY_DIR="/p/software/jusuf/stages/2025/software/FFTW/3.3.10-GCC-13.3.0/lib64" python3 -m pip install -e /p/project/ccstma/baumann7/mpi4py-fft +# FFTW_LIBRARY_DIR="/p/software/juwels/stages/2025/software/FFTW/3.3.10-GCC-13.3.0/lib64/" python3 -m pip install -e /p/project/ccstma/baumann7/mpi4py-fft +FFTW_LIBRARY_DIR="/p/software/juwelsbooster/stages/2025/software/FFTW/3.3.10-GCC-13.3.0/lib64/" python3 -m pip install -e /p/project1/ccstma/baumann7/mpi4py-fft python3 -m pip install -e /p/project1/ccstma/baumann7/qmat python3 -m pip install -r "${ABSOLUTE_PATH}"/requirements.txt python3 -m pip install -e /p/project1/ccstma/baumann7/pySDC/ diff --git a/pySDC/projects/GPU/etc/venv_jusuf/modules.sh b/pySDC/projects/GPU/etc/venv_jusuf/modules.sh index 5d3e339756..f6f93f8ede 100644 --- a/pySDC/projects/GPU/etc/venv_jusuf/modules.sh +++ b/pySDC/projects/GPU/etc/venv_jusuf/modules.sh @@ -1,5 +1,5 @@ module --force purge -module load Stages/2024 +module load Stages/2025 module load GCC module load ParaStationMPI # module load NCCL diff --git a/pySDC/projects/GPU/etc/venv_jusuf/setup.sh b/pySDC/projects/GPU/etc/venv_jusuf/setup.sh index 40224178d7..1f8e774b45 100755 --- a/pySDC/projects/GPU/etc/venv_jusuf/setup.sh +++ b/pySDC/projects/GPU/etc/venv_jusuf/setup.sh @@ -12,7 +12,7 @@ python3 -m venv --prompt "$ENV_NAME" --system-site-packages "${ENV_DIR}" source "${ABSOLUTE_PATH}"/activate.sh -FFTW_LIBRARY_DIR="/p/software/jusuf/stages/2024/software/FFTW/3.3.10-GCC-12.3.0/lib64" python3 -m pip install -e /p/project/ccstma/baumann7/mpi4py-fft +FFTW_LIBRARY_DIR="/p/software/jusuf/stages/2025/software/FFTW/3.3.10-GCC-13.3.0/lib64" python3 -m pip install -e /p/project/ccstma/baumann7/mpi4py-fft python3 -m pip install -e /p/project1/ccstma/baumann7/qmat python3 -m pip install -r "${ABSOLUTE_PATH}"/requirements.txt python3 -m pip install -e /p/project1/ccstma/baumann7/pySDC/ diff --git a/pySDC/projects/Resilience/venv/modules.sh b/pySDC/projects/Resilience/venv/modules.sh index 07e78de848..cc7e37b788 100644 --- a/pySDC/projects/Resilience/venv/modules.sh +++ b/pySDC/projects/Resilience/venv/modules.sh @@ -1,5 +1,5 @@ module --force purge -module load Stages/2024 +module load Stages/2025 module load GCC module load OpenMPI module load FFTW diff --git a/pySDC/projects/Resilience/venv/setup.sh b/pySDC/projects/Resilience/venv/setup.sh index b7d606ebf4..429f7d6d46 100755 --- a/pySDC/projects/Resilience/venv/setup.sh +++ b/pySDC/projects/Resilience/venv/setup.sh @@ -12,7 +12,7 @@ python3 -m venv --prompt "$ENV_NAME" --system-site-packages "${ENV_DIR}" source "${ABSOLUTE_PATH}"/activate.sh -FFTW_LIBRARY_DIR="/p/software/jusuf/stages/2024/software/FFTW/3.3.10-GCC-12.3.0/lib64" python3 -m pip install mpi4py-fft +FFTW_LIBRARY_DIR="/p/software/jusuf/stages/2025/software/FFTW/3.3.10-GCC-13.3.0/lib64" python3 -m pip install mpi4py-fft python3 -m pip install --upgrade -r "${ABSOLUTE_PATH}"/requirements.txt python3 -m pip install --upgrade -e /p/project/ccstma/baumann7/pySDC/ From 113452f7f8d30dc2bc419770d790218e7f58cef9 Mon Sep 17 00:00:00 2001 From: Thomas Baumann <39156931+brownbaerchen@users.noreply.github.com> Date: Wed, 29 Jan 2025 15:15:10 +0000 Subject: [PATCH 2/7] Don't reinstall mpi4py in mpi4py-fft installation --- .gitlab-ci.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 6acd3a5bc5..53e75b7f52 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -43,7 +43,7 @@ prepare_JUWELS: - git submodule add -f https://github.com/brownbaerchen/mpi4py-fft.git - cd mpi4py-fft - git checkout cupy_implementation - - FFTW_LIBRARY_DIR="/p/software/juwels/stages/2025/software/FFTW/3.3.10-GCC-13.3.0/lib64" pip install --force-reinstall . + - FFTW_LIBRARY_DIR="/p/software/juwels/stages/2025/software/FFTW/3.3.10-GCC-13.3.0/lib64" pip install --force-reinstall --no-deps . - cd ../ From d4899b0d22df2334707c8f66f817466e65d8453d Mon Sep 17 00:00:00 2001 From: Thomas Baumann <39156931+brownbaerchen@users.noreply.github.com> Date: Wed, 29 Jan 2025 16:01:26 +0000 Subject: [PATCH 3/7] Update .gitlab-ci.yml --- .gitlab-ci.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 53e75b7f52..884766b6c6 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -43,7 +43,7 @@ prepare_JUWELS: - git submodule add -f https://github.com/brownbaerchen/mpi4py-fft.git - cd mpi4py-fft - git checkout cupy_implementation - - FFTW_LIBRARY_DIR="/p/software/juwels/stages/2025/software/FFTW/3.3.10-GCC-13.3.0/lib64" pip install --force-reinstall --no-deps . + - FFTW_LIBRARY_DIR="/p/software/juwels/stages/2025/software/FFTW/3.3.10-GCC-13.3.0/lib64" python -m pip install --force-reinstall --no-deps . - cd ../ From 4b6725381c6bc05ec5dc2887885e605c2df9f56e Mon Sep 17 00:00:00 2001 From: Thomas Baumann <39156931+brownbaerchen@users.noreply.github.com> Date: Wed, 29 Jan 2025 16:35:06 +0000 Subject: [PATCH 4/7] Update .gitlab-ci.yml --- .gitlab-ci.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 884766b6c6..ceab6e8e40 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -43,7 +43,7 @@ prepare_JUWELS: - git submodule add -f https://github.com/brownbaerchen/mpi4py-fft.git - cd mpi4py-fft - git checkout cupy_implementation - - FFTW_LIBRARY_DIR="/p/software/juwels/stages/2025/software/FFTW/3.3.10-GCC-13.3.0/lib64" python -m pip install --force-reinstall --no-deps . + - FFTW_LIBRARY_DIR="/p/software/juwels/stages/2025/software/FFTW/3.3.10-GCC-13.3.0/lib64" python -m pip install --no-deps --force-reinstall -e . - cd ../ From ca720b5d72cc9dc4589f34dd3457f72f865448bd Mon Sep 17 00:00:00 2001 From: Thomas Baumann <39156931+brownbaerchen@users.noreply.github.com> Date: Wed, 29 Jan 2025 18:58:49 +0000 Subject: [PATCH 5/7] Removed `SciPy-Stack` --- .gitlab-ci.yml | 1 - 1 file changed, 1 deletion(-) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index ceab6e8e40..27723e0e38 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -33,7 +33,6 @@ prepare_JUWELS: - module load OpenMPI - module load FFTW - module load mpi4py - - module load SciPy-Stack - module load CuPy - jutil env activate -p ${JUWELS_PROJECT} - python -m venv --clear $SCRATCH/.venv/pySDC From c7d3542c6cb9cbdd1782046407820f41909adeaa Mon Sep 17 00:00:00 2001 From: Jakob Fritz Date: Thu, 30 Jan 2025 12:22:22 +0100 Subject: [PATCH 6/7] Changed venv-creating and use simple purge Force-Purge is normally not needed and can lead to strange behaviour --- .gitlab-ci.yml | 9 ++++----- 1 file changed, 4 insertions(+), 5 deletions(-) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 27723e0e38..6e1372cea4 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -27,15 +27,15 @@ prepare_JUWELS: - shell script: - mkdir -p benchmarks - - module --force purge - - module load Stages/2025 + - module purge - module load GCC - module load OpenMPI - module load FFTW - module load mpi4py - module load CuPy - jutil env activate -p ${JUWELS_PROJECT} - - python -m venv --clear $SCRATCH/.venv/pySDC + - rm -r $SCRATCH/.venv/pySDC || echo "venv did not exist" + - python -m venv $SCRATCH/.venv/pySDC - source $SCRATCH/.venv/pySDC/bin/activate - pip install -e . - pip install pytest-benchmark coverage @@ -76,8 +76,7 @@ test_JUWELS: - sbatch.out before_script: - mkdir -p benchmarks - - module --force purge - - module load Stages/2025 + - module purge - module load GCC - module load OpenMPI - module load FFTW From 666798d94e91a9c656a94468a94fe3d617d64e6c Mon Sep 17 00:00:00 2001 From: Thomas Baumann <39156931+brownbaerchen@users.noreply.github.com> Date: Wed, 9 Jul 2025 10:18:43 +0100 Subject: [PATCH 7/7] Update .gitlab-ci.yml --- .gitlab-ci.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 6e1372cea4..811f0b5fb0 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -42,7 +42,7 @@ prepare_JUWELS: - git submodule add -f https://github.com/brownbaerchen/mpi4py-fft.git - cd mpi4py-fft - git checkout cupy_implementation - - FFTW_LIBRARY_DIR="/p/software/juwels/stages/2025/software/FFTW/3.3.10-GCC-13.3.0/lib64" python -m pip install --no-deps --force-reinstall -e . + - FFTW_LIBRARY_DIR="/p/software/juwels/stages/2025/software/FFTW/3.3.10-GCC-13.3.0/lib64" python3 -m pip install --no-deps --force-reinstall -e . - cd ../