From 30deb03b9e2e440cc815d98a0ce24cd6ae56e46f Mon Sep 17 00:00:00 2001
From: "moritz.schwarzmeier" <moritz.schwarzmeier@tu-darmstadt.de>
Date: Wed, 9 Jul 2025 16:24:26 +0200
Subject: [PATCH 1/3] add OpenFOAM test case: rotating cylinder

---
 .github/workflows/run-benchmark.yml           |  41 +++++-
 benchmarks/rotating-cylinder-OpenFOAM/0/U     |  39 ++++++
 benchmarks/rotating-cylinder-OpenFOAM/0/p     |  34 +++++
 .../rotating-cylinder-OpenFOAM/Allclean       |  10 ++
 benchmarks/rotating-cylinder-OpenFOAM/Allrun  |  10 ++
 .../rotating-cylinder-OpenFOAM/Snakefile      |   8 ++
 .../constant/MRFProperties                    |  30 ++++
 .../constant/transportProperties              |  22 +++
 .../constant/turbulenceProperties             |  20 +++
 benchmarks/rotating-cylinder-OpenFOAM/plot    |  44 ++++++
 .../system/blockMeshDict                      | 130 ++++++++++++++++++
 .../system/controlDict                        |  88 ++++++++++++
 .../system/fvSchemes                          |  51 +++++++
 .../system/fvSolution                         |  57 ++++++++
 14 files changed, 578 insertions(+), 6 deletions(-)
 create mode 100644 benchmarks/rotating-cylinder-OpenFOAM/0/U
 create mode 100644 benchmarks/rotating-cylinder-OpenFOAM/0/p
 create mode 100755 benchmarks/rotating-cylinder-OpenFOAM/Allclean
 create mode 100755 benchmarks/rotating-cylinder-OpenFOAM/Allrun
 create mode 100644 benchmarks/rotating-cylinder-OpenFOAM/Snakefile
 create mode 100644 benchmarks/rotating-cylinder-OpenFOAM/constant/MRFProperties
 create mode 100644 benchmarks/rotating-cylinder-OpenFOAM/constant/transportProperties
 create mode 100644 benchmarks/rotating-cylinder-OpenFOAM/constant/turbulenceProperties
 create mode 100755 benchmarks/rotating-cylinder-OpenFOAM/plot
 create mode 100644 benchmarks/rotating-cylinder-OpenFOAM/system/blockMeshDict
 create mode 100644 benchmarks/rotating-cylinder-OpenFOAM/system/controlDict
 create mode 100644 benchmarks/rotating-cylinder-OpenFOAM/system/fvSchemes
 create mode 100644 benchmarks/rotating-cylinder-OpenFOAM/system/fvSolution

diff --git a/.github/workflows/run-benchmark.yml b/.github/workflows/run-benchmark.yml
index a98a3d6..6361d4a 100644
--- a/.github/workflows/run-benchmark.yml
+++ b/.github/workflows/run-benchmark.yml
@@ -20,8 +20,6 @@ jobs:
   tests:
     runs-on: ubuntu-latest
 
-
-
     steps:
       - name: checkout repo content
         uses: actions/checkout@v2
@@ -30,19 +28,25 @@ jobs:
         uses: conda-incubator/setup-miniconda@v3
         with:
             miniforge-version: latest
-            activate-environment: model-validation 
+            activate-environment: model-validation
             use-mamba: true
 
       - name: Update environment
         run: mamba env update -n model-validation -f environment_benchmarks.yml
         if: steps.cache.outputs.cache-hit != 'true'
 
+      - name: run-OpenFOAM-benchmarks
+        shell: bash -l {0}
+        run: |
+          cd $GITHUB_WORKSPACE/benchmarks/rotating-cylinder-OpenFOAM/
+          snakemake --force --cores 'all'
+
       - name: run-fenics-benchmarks
         shell: bash -l {0}
         run: |
           cd $GITHUB_WORKSPACE/benchmarks/linear-elasticity-plate-with-hole/
           snakemake --use-conda --force --cores 'all'
-      
+
       - name: run-Kratos-benchmarks
         shell: bash -l {0}
         run: |
@@ -67,11 +71,36 @@ jobs:
             name: fenics-output
             path: |
               benchmarks/linear-elasticity-plate-with-hole/data
-      
+
       - name: Archive kratos data
         uses: actions/upload-artifact@v4
         with:
             name: kratos-output
             path: |
               benchmarks/linear-elasticity-plate-with-hole-Kratos/data
-              
+
+
+  test_rotCyl_OF:
+    runs-on: ubuntu-latest
+    container:
+      image: opencfd/openfoam-run:2412
+
+    steps:
+      - name: Print debug information
+        run: |
+          echo "Running on OpenFOAM image"
+          echo "Current directory: $PWD"
+          echo "Available files:"
+          ls -la
+
+      - name: checkout repo content
+        uses: actions/checkout@v2
+
+      - name: run-OpenFOAM-benchmarks
+        shell: bash -l {0}
+        run: |
+          cd $GITHUB_WORKSPACE/benchmarks/rotating-cylinder-OpenFOAM/
+          sudo apt-get update && sudo apt-get install -y gnuplot
+          chmod +x ./plot
+          bash ./Allrun
+          echo "Finished job"
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/0/U b/benchmarks/rotating-cylinder-OpenFOAM/0/U
new file mode 100644
index 0000000..ae67c92
--- /dev/null
+++ b/benchmarks/rotating-cylinder-OpenFOAM/0/U
@@ -0,0 +1,39 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  v2412                                 |
+|   \\  /    A nd           | Website:  www.openfoam.com                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volVectorField;
+    object      U;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 1 -1 0 0 0 0];
+
+internalField   uniform (0 0 0);
+
+boundaryField
+{
+    innerWall
+    {
+        type            noSlip;
+    }
+
+    outerWall
+    {
+        type            noSlip;
+    }
+
+    frontAndBack
+    {
+        type            empty;
+    }
+}
+
+// ************************************************************************* //
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/0/p b/benchmarks/rotating-cylinder-OpenFOAM/0/p
new file mode 100644
index 0000000..007b1b9
--- /dev/null
+++ b/benchmarks/rotating-cylinder-OpenFOAM/0/p
@@ -0,0 +1,34 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  v2412                                 |
+|   \\  /    A nd           | Website:  www.openfoam.com                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    object      p;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -2 0 0 0 0];
+
+internalField   uniform 0;
+
+boundaryField
+{
+    "innerWall|outerWall"
+    {
+        type            zeroGradient;
+    }
+
+    frontAndBack
+    {
+        type            empty;
+    }
+}
+
+// ************************************************************************* //
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/Allclean b/benchmarks/rotating-cylinder-OpenFOAM/Allclean
new file mode 100755
index 0000000..ad9bdea
--- /dev/null
+++ b/benchmarks/rotating-cylinder-OpenFOAM/Allclean
@@ -0,0 +1,10 @@
+#!/bin/sh
+cd "${0%/*}" || exit                                # Run from this directory
+. ${WM_PROJECT_DIR:?}/bin/tools/CleanFunctions      # Tutorial clean functions
+#------------------------------------------------------------------------------
+
+cleanCase
+
+rm -f *.png
+
+#------------------------------------------------------------------------------
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/Allrun b/benchmarks/rotating-cylinder-OpenFOAM/Allrun
new file mode 100755
index 0000000..9fcf369
--- /dev/null
+++ b/benchmarks/rotating-cylinder-OpenFOAM/Allrun
@@ -0,0 +1,10 @@
+#!/bin/sh
+cd "${0%/*}" || exit                                # Run from this directory
+. ${WM_PROJECT_DIR:?}/bin/tools/RunFunctions        # Tutorial run functions
+#------------------------------------------------------------------------------
+
+runApplication blockMesh
+runApplication $(getApplication)
+./plot
+
+#------------------------------------------------------------------------------
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/Snakefile b/benchmarks/rotating-cylinder-OpenFOAM/Snakefile
new file mode 100644
index 0000000..1eb6662
--- /dev/null
+++ b/benchmarks/rotating-cylinder-OpenFOAM/Snakefile
@@ -0,0 +1,8 @@
+
+rule run_simulation_container:
+    input:
+        ".",
+    output:
+        directory("."),
+    container: "docker://opencfd/openfoam-run:2412"
+    shell: "./Allrun"
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/constant/MRFProperties b/benchmarks/rotating-cylinder-OpenFOAM/constant/MRFProperties
new file mode 100644
index 0000000..98414d4
--- /dev/null
+++ b/benchmarks/rotating-cylinder-OpenFOAM/constant/MRFProperties
@@ -0,0 +1,30 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  v2412                                 |
+|   \\  /    A nd           | Website:  www.openfoam.com                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      MRFProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+MRF1
+{
+    cellZone    all;
+    active      yes;
+
+    nonRotatingPatches (outerWall);
+
+    origin    (0 0 0);
+    axis      (0 0 1);
+    omega     100;
+}
+
+// ************************************************************************* //
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/constant/transportProperties b/benchmarks/rotating-cylinder-OpenFOAM/constant/transportProperties
new file mode 100644
index 0000000..607db27
--- /dev/null
+++ b/benchmarks/rotating-cylinder-OpenFOAM/constant/transportProperties
@@ -0,0 +1,22 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  v2412                                 |
+|   \\  /    A nd           | Website:  www.openfoam.com                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      transportProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+transportModel  Newtonian;
+
+nu              1;
+
+// ************************************************************************* //
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/constant/turbulenceProperties b/benchmarks/rotating-cylinder-OpenFOAM/constant/turbulenceProperties
new file mode 100644
index 0000000..52a7d3b
--- /dev/null
+++ b/benchmarks/rotating-cylinder-OpenFOAM/constant/turbulenceProperties
@@ -0,0 +1,20 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  v2412                                 |
+|   \\  /    A nd           | Website:  www.openfoam.com                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      turbulenceProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+simulationType laminar;
+
+// ************************************************************************* //
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/plot b/benchmarks/rotating-cylinder-OpenFOAM/plot
new file mode 100755
index 0000000..2fb9f14
--- /dev/null
+++ b/benchmarks/rotating-cylinder-OpenFOAM/plot
@@ -0,0 +1,44 @@
+#!/bin/sh
+# Require gnuplot
+command -v gnuplot >/dev/null || {
+    echo "FOAM FATAL ERROR: gnuplot not found - skipping graph creation" 1>&2
+    exit 1
+}
+
+
+gnuplot<<EOF
+    set terminal pngcairo font "helvetica,16" size 800,600
+    set xlabel "Radius, r"
+    set xrange [1:2]
+    set grid
+
+    Omega1 = 100.
+    Omega2 = 0.
+    R1 = 1.
+    R2 = 2.
+
+    mu = Omega2/Omega1
+
+    A = Omega1*(1. - R2*R2*mu/R1/R1)/(1. - R2*R2/R1/R1)
+    B = R1*R1*Omega1*(1. - mu)/(1. - R1*R1/R2/R2)
+
+    analytical_utheta(r) = A*r + B/r
+    C = 0.5*A*A*R1*R1 + 2.*A*B*log(R1) - 0.5*B*B/R1/R1
+    analytical_p(r) = 0.5*A*A*r*r + 2.*A*B*log(r) - 0.5*B*B/r/r - C
+
+    samples="postProcessing/sample1/1000/centreLine_p_U_U:Transformed.xy"
+
+    set ylabel "Pressure, p"
+    set output "p.png"
+    set samples 20
+    set key bottom right
+    plot samples u 1:2 w lines lw 2 lc "black" t "OpenFOAM", \
+        analytical_p(x) w p ps 2 pt 6 lw 2 lc rgb "red" t "analytical"
+
+    set ylabel "U_{/Symbol q}, rad/s"
+    set output "Utheta.png"
+    set samples 20
+    set key top right
+    plot samples u 1:7 w lines lw 2 lc "black" t "OpenFOAM", \
+        analytical_utheta(x) w p ps 2 pt 6 lw 2 lc rgb "red" t "analytical"
+EOF
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/system/blockMeshDict b/benchmarks/rotating-cylinder-OpenFOAM/system/blockMeshDict
new file mode 100644
index 0000000..70b8157
--- /dev/null
+++ b/benchmarks/rotating-cylinder-OpenFOAM/system/blockMeshDict
@@ -0,0 +1,130 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  v2412                                 |
+|   \\  /    A nd           | Website:  www.openfoam.com                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    object      blockMeshDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+scale 1;
+
+geom
+{
+    r0          1;
+    r1          2;
+
+    nr          40;
+    ntheta      40;
+
+    g           10;
+
+    mr0         #eval{ - $r0 };
+    mr1         #eval{ - $r1 };
+    invG        #eval{ 1./$g };
+}
+
+vertices
+(
+    ( $/geom/r0         0 0)
+    (         0  $/geom/r0 0)
+    ($/geom/mr0         0 0)
+    (         0 $/geom/mr0 0)
+    ( $/geom/r1         0 0)
+    (         0  $/geom/r1 0)
+    ($/geom/mr1         0 0)
+    (         0 $/geom/mr1 0)
+
+    ( $/geom/r0         0 1)
+    (         0  $/geom/r0 1)
+    ($/geom/mr0         0 1)
+    (         0 $/geom/mr0 1)
+    ( $/geom/r1         0 1)
+    (         0  $/geom/r1 1)
+    ($/geom/mr1         0 1)
+    (         0 $/geom/mr1 1)
+);
+
+blockInfo
+all
+($/geom/ntheta $/geom/nr 1)
+simpleGrading (1 ((0.5 0.5 $/geom/g)(0.5 0.5 $/geom/invG)) 1);
+
+blocks
+(
+    hex (1 0 4 5  9  8 12 13) $blockInfo
+    hex (2 1 5 6 10  9 13 14) $blockInfo
+    hex (3 2 6 7 11 10 14 15) $blockInfo
+    hex (0 3 7 4  8 11 15 12) $blockInfo
+);
+
+edges
+(
+    arc 0 1 origin (0 0 0)
+    arc 1 2 origin (0 0 0)
+    arc 2 3 origin (0 0 0)
+    arc 3 0 origin (0 0 0)
+    arc 8 9 origin (0 0 1)
+    arc 9 10 origin (0 0 1)
+    arc 10 11 origin (0 0 1)
+    arc 11 8 origin (0 0 1)
+
+    arc 4 5 origin (0 0 0)
+    arc 5 6 origin (0 0 0)
+    arc 6 7 origin (0 0 0)
+    arc 7 4 origin (0 0 0)
+    arc 12 13 origin (0 0 1)
+    arc 13 14 origin (0 0 1)
+    arc 14 15 origin (0 0 1)
+    arc 15 12 origin (0 0 1)
+);
+
+defaultPatch
+{
+    name    frontAndBack;
+    type    empty;
+}
+
+boundary
+(
+    innerWall
+    {
+        type wall;
+        faces
+        (
+            (1 0  8  9)
+            (2 1  9 10)
+            (3 2 10 11)
+            (0 3 11 8)
+        );
+    }
+
+    outerWall
+    {
+        type wall;
+        faces
+        (
+            (5 13 12 4)
+            (6 14 13 5)
+            (7 15 14 6)
+            (4 12 15 7)
+        );
+    }
+);
+
+mergePatchPairs
+(
+);
+
+
+// Cleanup
+#remove ( geom blockInfo )
+
+// ************************************************************************* //
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/system/controlDict b/benchmarks/rotating-cylinder-OpenFOAM/system/controlDict
new file mode 100644
index 0000000..aaab75c
--- /dev/null
+++ b/benchmarks/rotating-cylinder-OpenFOAM/system/controlDict
@@ -0,0 +1,88 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  v2412                                 |
+|   \\  /    A nd           | Website:  www.openfoam.com                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      controlDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+application     simpleFoam;
+
+startFrom       startTime;
+
+startTime       0;
+
+stopAt          endTime;
+
+endTime         1000;
+
+deltaT          1;
+
+writeControl    timeStep;
+
+writeInterval   10;
+
+purgeWrite      3;
+
+writeFormat     ascii;
+
+writePrecision  6;
+
+writeCompression off;
+
+timeFormat      general;
+
+timePrecision   6;
+
+runTimeModifiable true;
+
+functions
+{
+    transform1
+    {
+        type            fieldCoordinateSystemTransform;
+        libs            (fieldFunctionObjects);
+        writeControl    writeTime;
+
+        fields          (U);
+        coordinateSystem
+        {
+            origin      (0 0 0);
+            rotation    none;
+        }
+    }
+
+    sample1
+    {
+        type            sets;
+        libs            (sampling);
+        writeControl    writeTime;
+        fields          (U p U:Transformed);
+        interpolationScheme cellPoint;
+        setFormat       raw;
+
+        sets
+        (
+            centreLine
+            {
+                type        uniform;
+                axis        x;
+                start       (1 0 0);
+                end         (2 0 0);
+                nPoints     20;
+            }
+        );
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/system/fvSchemes b/benchmarks/rotating-cylinder-OpenFOAM/system/fvSchemes
new file mode 100644
index 0000000..b231c64
--- /dev/null
+++ b/benchmarks/rotating-cylinder-OpenFOAM/system/fvSchemes
@@ -0,0 +1,51 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  v2412                                 |
+|   \\  /    A nd           | Website:  www.openfoam.com                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvSchemes;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+ddtSchemes
+{
+    default         steadyState;
+}
+
+gradSchemes
+{
+    default         Gauss linear;
+}
+
+divSchemes
+{
+    default         none;
+    div(phi,U)      bounded Gauss linearUpwind grad(U);
+    div((nuEff*dev2(T(grad(U))))) Gauss linear;
+}
+
+laplacianSchemes
+{
+    default         Gauss linear corrected;
+}
+
+interpolationSchemes
+{
+    default         linear;
+}
+
+snGradSchemes
+{
+    default         corrected;
+}
+
+
+// ************************************************************************* //
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/system/fvSolution b/benchmarks/rotating-cylinder-OpenFOAM/system/fvSolution
new file mode 100644
index 0000000..22a8fc9
--- /dev/null
+++ b/benchmarks/rotating-cylinder-OpenFOAM/system/fvSolution
@@ -0,0 +1,57 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  v2412                                 |
+|   \\  /    A nd           | Website:  www.openfoam.com                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvSolution;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+solvers
+{
+    p
+    {
+        solver          GAMG;
+        tolerance       1e-10;
+        relTol          0.1;
+        smoother        GaussSeidel;
+    }
+
+    U
+    {
+        solver          smoothSolver;
+        smoother        GaussSeidel;
+        tolerance       1e-10;
+        relTol          0.1;
+    }
+}
+
+SIMPLE
+{
+    nNonOrthogonalCorrectors 0;
+    pRefCell        0;
+    pRefValue       0;
+}
+
+relaxationFactors
+{
+    fields
+    {
+        p               0.3;
+    }
+    equations
+    {
+        U               0.7;
+    }
+}
+
+
+// ************************************************************************* //

From 47f5fb8439fb43a58471f55fe35d294e13a78ad6 Mon Sep 17 00:00:00 2001
From: mschwarzmeier <89848589+mschwarzmeier@users.noreply.github.com>
Date: Mon, 21 Jul 2025 12:05:58 +0000
Subject: [PATCH 2/3] run OpenFOAM with snakemake

---
 .github/workflows/run-benchmark.yml             | 13 +++++++++++--
 benchmarks/rotating-cylinder-OpenFOAM/Allrun    |  4 +++-
 benchmarks/rotating-cylinder-OpenFOAM/Snakefile | 17 +++++++++++++----
 3 files changed, 27 insertions(+), 7 deletions(-)

diff --git a/.github/workflows/run-benchmark.yml b/.github/workflows/run-benchmark.yml
index 6361d4a..78cbe60 100644
--- a/.github/workflows/run-benchmark.yml
+++ b/.github/workflows/run-benchmark.yml
@@ -19,6 +19,8 @@ env:
 jobs:
   tests:
     runs-on: ubuntu-latest
+    container:
+      image: opencfd/openfoam-run:2412
 
     steps:
       - name: checkout repo content
@@ -35,11 +37,18 @@ jobs:
         run: mamba env update -n model-validation -f environment_benchmarks.yml
         if: steps.cache.outputs.cache-hit != 'true'
 
+      - name: Ensure log directory exists
+        run: mkdir -p benchmarks/rotating-cylinder-OpenFOAM/.snakemake/log
+
       - name: run-OpenFOAM-benchmarks
         shell: bash -l {0}
         run: |
           cd $GITHUB_WORKSPACE/benchmarks/rotating-cylinder-OpenFOAM/
-          snakemake --force --cores 'all'
+          mkdir -p ./.snakemake/log || true # bc. snakemake is not able to create this directory itself
+          chmod +x Allrun
+          echo "Starting snakemake"
+          snakemake --cores 1
+          echo "Finished job."
 
       - name: run-fenics-benchmarks
         shell: bash -l {0}
@@ -100,7 +109,7 @@ jobs:
         shell: bash -l {0}
         run: |
           cd $GITHUB_WORKSPACE/benchmarks/rotating-cylinder-OpenFOAM/
-          sudo apt-get update && sudo apt-get install -y gnuplot
+          # sudo apt-get update && sudo apt-get install -y gnuplot
           chmod +x ./plot
           bash ./Allrun
           echo "Finished job"
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/Allrun b/benchmarks/rotating-cylinder-OpenFOAM/Allrun
index 9fcf369..b2a0cbe 100755
--- a/benchmarks/rotating-cylinder-OpenFOAM/Allrun
+++ b/benchmarks/rotating-cylinder-OpenFOAM/Allrun
@@ -5,6 +5,8 @@ cd "${0%/*}" || exit                                # Run from this directory
 
 runApplication blockMesh
 runApplication $(getApplication)
-./plot
+
+echo "Simulation completed. You could now post-process (e.g. visualize) the results."
+# ./plot # disabled for benchmark/snakemake-setup
 
 #------------------------------------------------------------------------------
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/Snakefile b/benchmarks/rotating-cylinder-OpenFOAM/Snakefile
index 1eb6662..2c4a984 100644
--- a/benchmarks/rotating-cylinder-OpenFOAM/Snakefile
+++ b/benchmarks/rotating-cylinder-OpenFOAM/Snakefile
@@ -1,8 +1,17 @@
 
 rule run_simulation_container:
     input:
-        ".",
-    output:
-        directory("."),
+        mesh="system/blockMeshDict",
+        config="system/controlDict",
+        initial_conditions="0/",
+        scripts="Allrun"
+    output: 
+        directory("1000"),
     container: "docker://opencfd/openfoam-run:2412"
-    shell: "./Allrun"
+    shell:
+        """
+        set -euo pipefail
+        echo "Starting simulation."
+        ./Allrun
+        ls -la
+        """

From 6b1c5551d6c9727a59b35c3d0eaf38d36f4d0c83 Mon Sep 17 00:00:00 2001
From: mschwarzmeier <89848589+mschwarzmeier@users.noreply.github.com>
Date: Mon, 22 Sep 2025 16:38:26 +0000
Subject: [PATCH 3/3] set up OpenFOAM case as parameter study

---
 .gitignore                                    |  3 ++-
 .../rotating-cylinder-OpenFOAM/Snakefile      | 27 ++++++++++++++++---
 .../rotating-cylinder-OpenFOAM/cases/.gitkeep |  0
 .../{blockMeshDict => blockMeshDict.template} |  4 +--
 4 files changed, 27 insertions(+), 7 deletions(-)
 create mode 100644 benchmarks/rotating-cylinder-OpenFOAM/cases/.gitkeep
 rename benchmarks/rotating-cylinder-OpenFOAM/system/{blockMeshDict => blockMeshDict.template} (97%)

diff --git a/.gitignore b/.gitignore
index f684468..72025d0 100644
--- a/.gitignore
+++ b/.gitignore
@@ -1,2 +1,3 @@
 .snakemake
-site
\ No newline at end of file
+site
+venv/
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/Snakefile b/benchmarks/rotating-cylinder-OpenFOAM/Snakefile
index 2c4a984..bc0614c 100644
--- a/benchmarks/rotating-cylinder-OpenFOAM/Snakefile
+++ b/benchmarks/rotating-cylinder-OpenFOAM/Snakefile
@@ -1,17 +1,36 @@
+# Define the parameter space
+# 40 is default
+meshNs = [10, 20, 40]
+
+rule all:
+    input:
+        expand("cases/meshN_{meshN}/postprocessing/done", meshN=meshNs)
+
 
 rule run_simulation_container:
     input:
-        mesh="system/blockMeshDict",
-        config="system/controlDict",
-        initial_conditions="0/",
+        template="system/blockMeshDict.template",
         scripts="Allrun"
     output: 
-        directory("1000"),
+        directory("cases/meshN_{meshN}/1000"),
+        touch("cases/meshN_{meshN}/postprocessing/done")
     container: "docker://opencfd/openfoam-run:2412"
     shell:
         """
         set -euo pipefail
+
+        echo "Setting up simulation {wildcards.meshN}."
+        mkdir -p cases/meshN_{wildcards.meshN}
+        cp -r 0 system constant Allclean Allrun plot cases/meshN_{wildcards.meshN}/
+        cd cases/meshN_{wildcards.meshN}
+        sed "s/{{meshN}}/{wildcards.meshN}/g" {input.template} > system/blockMeshDict
+        
         echo "Starting simulation."
+        chmod +x Allrun
         ./Allrun
+        
         ls -la
+        tail log.simpleFoam
+
+        touch postprocessing/done
         """
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/cases/.gitkeep b/benchmarks/rotating-cylinder-OpenFOAM/cases/.gitkeep
new file mode 100644
index 0000000..e69de29
diff --git a/benchmarks/rotating-cylinder-OpenFOAM/system/blockMeshDict b/benchmarks/rotating-cylinder-OpenFOAM/system/blockMeshDict.template
similarity index 97%
rename from benchmarks/rotating-cylinder-OpenFOAM/system/blockMeshDict
rename to benchmarks/rotating-cylinder-OpenFOAM/system/blockMeshDict.template
index 70b8157..d6e1215 100644
--- a/benchmarks/rotating-cylinder-OpenFOAM/system/blockMeshDict
+++ b/benchmarks/rotating-cylinder-OpenFOAM/system/blockMeshDict.template
@@ -21,8 +21,8 @@ geom
     r0          1;
     r1          2;
 
-    nr          40;
-    ntheta      40;
+    nr          {meshN}; // 40;
+    ntheta      {meshN}; // 40;
 
     g           10;