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Bumped to Stage2025 for HPC #525

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Bumped to Stage2025 for HPC #525

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36a824a
Bumped to Stage2025
jakob-fritz Jan 29, 2025
113452f
Don't reinstall mpi4py in mpi4py-fft installation
brownbaerchen Jan 29, 2025
d4899b0
Update .gitlab-ci.yml
brownbaerchen Jan 29, 2025
4b67253
Update .gitlab-ci.yml
brownbaerchen Jan 29, 2025
ca720b5
Removed `SciPy-Stack`
brownbaerchen Jan 29, 2025
c7d3542
Changed venv-creating and use simple purge
jakob-fritz Jan 30, 2025
bfc1287
checking if the pythons got mixed up
brownbaerchen Jan 30, 2025
86f58ef
Update .gitlab-ci.yml
brownbaerchen Jan 30, 2025
3879d0a
Merge remote-tracking branch 'upstream/master' into HEAD
brownbaerchen Feb 15, 2025
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14 changes: 7 additions & 7 deletions .gitlab-ci.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -27,23 +27,24 @@ prepare_JUWELS:
- shell
script:
- mkdir -p benchmarks
- module --force purge
- module load Stages/2024
- module purge
- module load GCC
- 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
- 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 .
- which python
- pip install pytest-benchmark coverage
- 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 .
- which python
- FFTW_LIBRARY_DIR="/p/software/juwels/stages/2025/software/FFTW/3.3.10-GCC-13.3.0/lib64" python -m pip install --no-deps -e .
- cd ../


Expand Down Expand Up @@ -77,8 +78,7 @@ test_JUWELS:
- sbatch.out
before_script:
- mkdir -p benchmarks
- module --force purge
- module load Stages/2024
- module purge
- module load GCC
- module load OpenMPI
- module load FFTW
Expand Down
2 changes: 1 addition & 1 deletion pySDC/projects/GPU/etc/venv_booster/modules.sh
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Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
module --force purge
module load Stages/2024
module load Stages/2025
module load GCC
module load ParaStationMPI
module load NCCL
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6 changes: 3 additions & 3 deletions pySDC/projects/GPU/etc/venv_booster/setup.sh
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Expand Up @@ -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 "${ABSOLUTE_PATH}"/requirements.txt
python3 -m pip install -e /p/project1/ccstma/baumann7/pySDC/
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2 changes: 1 addition & 1 deletion pySDC/projects/GPU/etc/venv_jusuf/modules.sh
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Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
module --force purge
module load Stages/2024
module load Stages/2025
module load GCC
module load ParaStationMPI
# module load NCCL
Expand Down
2 changes: 1 addition & 1 deletion pySDC/projects/GPU/etc/venv_jusuf/setup.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -12,7 +12,7 @@ python3 -m venv --prompt "$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 "${ABSOLUTE_PATH}"/requirements.txt
python3 -m pip install -e /p/project1/ccstma/baumann7/pySDC/
2 changes: 1 addition & 1 deletion pySDC/projects/Resilience/venv/modules.sh
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Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
module --force purge
module load Stages/2024
module load Stages/2025
module load GCC
module load OpenMPI
module load FFTW
Expand Down
2 changes: 1 addition & 1 deletion pySDC/projects/Resilience/venv/setup.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -12,7 +12,7 @@ python3 -m venv --prompt "$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/

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