Merge branch 'master' into neuralpint

Author: tlunet

.github/workflows/ci_pipeline.yml

@@ -25,7 +25,7 @@ jobs:
         with:
           environment-file: ${{ env.YML }}
           create-args: >-
-              python=3.12
+              python=3.13
       - name: Code reformatting with black
         run: |
           black pySDC  --check --diff --color
@@ -39,7 +39,7 @@ jobs:
       fail-fast: false
       matrix:
         env: ['base', 'fenics', 'mpi4py', 'petsc', 'pytorch']
-        python: ['3.9', '3.10', '3.11', '3.12']
+        python: ['3.9', '3.10', '3.11', '3.12', '3.13']
     defaults:
       run:
         shell: bash -l {0}
@@ -70,7 +70,7 @@ jobs:
           mv .coverage coverage_${{ matrix.env }}.dat
       - name: Uploading artifacts
         uses: actions/upload-artifact@v4
-        if: matrix.python == '3.12'
+        if: matrix.python == '3.13'
         with:
           name: test-artifacts-cpu-${{ matrix.env }}
           path: |
@@ -98,7 +98,6 @@ jobs:
           - Second_orderSDC
           - soft_failure
           - TOMS
-        python: ['3.9', '3.10', '3.11', '3.12']
     defaults:
       run:
         shell: bash -l {0}
@@ -109,8 +108,6 @@ jobs:
         uses: mamba-org/setup-micromamba@v1
         with:
           environment-file: "pySDC/projects/${{ matrix.env }}/environment.yml"
-          create-args: >-
-              python=${{ matrix.python }}
       - name: Install additional packages as needed
         run: |
           micromamba install -y --file etc/environment-tests.yml --freeze-installed
@@ -126,7 +123,6 @@ jobs:
           mv .coverage coverage_${{ matrix.env }}.dat
       - name: Uploading artifacts
         uses: actions/upload-artifact@v4
-        if: matrix.python == '3.12'
         with:
           name: test-artifacts-project-${{ matrix.env }}
           path: |
@@ -203,7 +199,6 @@ jobs:
         run: |
           . venv-pySDC/bin/activate
           pip install -e /repositories/pySDC
-          pip install qmat
           # test installation
           python -c "import pySDC; print(f'pySDC module: {pySDC}')"
       - name: Install gusto

.gitlab-ci.yml

@@ -27,24 +27,8 @@ prepare_JUWELS:
     - shell
   script:
     - mkdir -p benchmarks
-    - module --force purge
-    - module load Stages/2024
-    - 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
-    - source $SCRATCH/.venv/pySDC/bin/activate
-    - pip install -e .
-    - 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 .
-    - cd ../
+    - source ./etc/venv_juwels/setup.sh
 
 
 test_JUWELS:
@@ -77,16 +61,8 @@ test_JUWELS:
       - sbatch.out
   before_script:
     - mkdir -p benchmarks
-    - module --force purge
-    - module load Stages/2024
-    - 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}
-    - source $SCRATCH/.venv/pySDC/bin/activate
+    - source ./etc/venv_juwels/activate.sh
   script:
     - bash etc/check_node_avail.sh || PARTITION_AVAIL=$?
     - if [ -n "$PARTITION_AVAIL" ] ; then exit $PARTITION_AVAIL ; fi

README.md

@@ -118,7 +118,7 @@ and innovation programme and Belgium, France, Germany, and Switzerland.
 This project also received funding from the [German Federal Ministry of
 Education and Research](https://www.bmbf.de/bmbf/en/home/home_node.html)
 (BMBF) grants  16HPC047 and 16ME0679K. Supported by the European Union - NextGenerationEU. 
-The project also received help from the [Helmholtz Platform for Research Software Engineering - Preparatory Study (HiRSE_PS)](https://www.helmholtz-hirse.de/).
+The project also received help from the [Joint Lab "Helmholtz Information -  Research Software Engineering" (HiRSE)](https://www.helmholtz-hirse.de/).
 
 <p align="center">
   <img src="./docs/img/EuroHPC.jpg" height="105"/> &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;

docs/source/index.rst

@@ -25,6 +25,7 @@ Tutorial
    tutorial/step_6.rst
    tutorial/step_7.rst
    tutorial/step_8.rst
+   tutorial/step_9.rst
 
 Playgrounds
 -----------

docs/source/tutorial/doc_step_9_A.rst

@@ -0,0 +1,7 @@
+Full code: `pySDC/tutorial/step_9/A_paradiag_for_linear_problems.py <https://github.com/Parallel-in-Time/pySDC/blob/master/pySDC/tutorial/step_9/A_paradiag_for_linear_problems.py>`_
+
+.. literalinclude:: ../../../pySDC/tutorial/step_9/A_paradiag_for_linear_problems.py
+
+Results:
+
+.. literalinclude:: ../../../data/step_9_A_out.txt

docs/source/tutorial/doc_step_9_B.rst

@@ -0,0 +1,7 @@
+Full code: `pySDC/tutorial/step_9/B_paradiag_for_nonlinear_problems.py <https://github.com/Parallel-in-Time/pySDC/blob/master/pySDC/tutorial/step_9/B_paradiag_for_nonlinear_problems.py>`_
+
+.. literalinclude:: ../../../pySDC/tutorial/step_9/B_paradiag_for_nonlinear_problems.py
+
+Results:
+
+.. literalinclude:: ../../../data/step_9_B_out.txt

docs/source/tutorial/doc_step_9_C.rst

@@ -0,0 +1,7 @@
+Full code: `pySDC/tutorial/step_9/C_paradiag_in_pySDC.py <https://github.com/Parallel-in-Time/pySDC/blob/master/pySDC/tutorial/step_9/C_paradiag_in_pySDC.py>`_
+
+.. literalinclude:: ../../../pySDC/tutorial/step_9/C_paradiag_in_pySDC.py
+
+Results:
+
+.. literalinclude:: ../../../data/step_9_C_out.txt

docs/source/tutorial/step_9.rst

@@ -0,0 +1 @@
+.. include:: /../../pySDC/tutorial/step_9/README.rst

etc/environment-fenics.yml

@@ -9,7 +9,7 @@ dependencies:
   - matplotlib>=3.0
   - dill>=0.2.6
   - fenics>=2019.1.0
-  - mpi4py<=3.1.4
+  - mpi4py
   - pip
   - pip:
     - qmat>=0.1.8

etc/juwels_benchmark.sh

@@ -2,7 +2,7 @@
 #SBATCH --account=cstma
 #SBATCH --nodes=1
 #SBATCH --time=00:10:00
-#SBATCH --partition=devel
+#SBATCH --partition=develgpus
 #SBATCH --output=sbatch.out
 #SBATCH --error=sbatch.err