openfoam:v2406-ubuntu24.04

[AlexisEspinosaGayosso]

New recipe. For building:
openfoam:v2406-ubuntu24.04

This is a new recipe, but in comparison with other recipes this one has a few differences:

• Use of several stages (FROM ... AS )
• Use of "global" arguments defined at the top of the Dockerfile (and recall of them in each of the stages)
• Use of LABELs
• The docker and singularity on-entry scripts are now created from two template files that are COPY-ed into the image and then updated
• The Dockerfile and the two template scripts are backed up into an internal directory in the image

More detailed information is in the README.md file.

Building and testing has been performed with success. We are using some auxiliary scripts to assist the workflow. The use of these scripts is also explained with more detail in the README.md file.

The building and testing procedure from the podman nodes was:

1. Go to the recipe directory

git clone git@github.com:PawseySC/pawsey-containers.git
cd pawsey-containers
git switch --track origin/feature/openfoam-v2406
cd setonix/applications/OpenFOAM/openfoam/v2406

2. cd to the buildingScripts directory and build the docker image:

cd buildingScripts
./containerBuild.sh --engine podman

output:

...
======================================================
containerBuild.sh: FINAL SUMMARY
======================================================
Total steps run: 14
✓ ALL STEPS PASSED! Image 'openfoam:v2406-ubuntu24.04' was built successfully.

3. Perform basic test of the docker image:

 ../functionalTests/basic/basicTests.sh --engine podman openfoam:v2406-ubuntu24.04

output:

...
======================================================
basicTests.sh: FINAL SUMMARY
======================================================
Total steps run: 5
✓ ALL STEPS PASSED! Image 'openfoam:v2406-ubuntu24.04' with podman looks good at minimal testing.

4. Build the singularity image:

./singularityBuild.sh --engine podman

output:

...
======================================================
singularityBuild.sh: FINAL SUMMARY
======================================================
Total steps run: 8
✓ ALL STEPS PASSED! Image '/scratch/pawsey0001/espinosa/singularity/images/openfoam_v2406-ubuntu24.04.sif' was built succesfully.

5. Perform basic test of the singularity image:

../functionalTests/basic/basicTests.sh --engine singularity $MYSCRATCH/singularity/images/openfoam_v2406-ubuntu24.04.sif

output:

======================================================
basicTests.sh: FINAL SUMMARY
======================================================
Total steps run: 5
✓ ALL STEPS PASSED! Image '/scratch/pawsey0001/espinosa/singularity/images/openfoam_v2406-ubuntu24.04.sif' with singularity looks good at minimal testing.

6. Perform execution test of singularity image (compilation test):

cd ../functionalTests/setonix/compileMyTool
sbatch runCompile.sh

output from (tail slurm-1234.out):

Using: OpenFOAM-v2406 (2406) - visit www.openfoam.com
Build: _630d60de3b-20240620
Arch:  LSB;label=32;scalar=64


Checking output:
Correct ✓: myIcoFoam showed Usage message

runCompile.sh: Done

7. Perform execution test of singularity image (running case):
   A.Extract the tutorial case:

cd ../tutorialCase
./extractCase

output:

...
Image to use: /scratch/pawsey0001/espinosa/singularity/images/openfoam_v2406-ubuntu24.04.sif
Copying:
Internal Tutorial: /opt/OpenFOAM/OpenFOAM-v2406/tutorials/incompressible/pimpleFoam/LES/periodicPlaneChannel
Target Case: /scratch/pawsey0001/espinosa/OpenFOAM/espinosa-v2406/run/periodicPlaneChannel
extractCase.sh: Done

B.Decompose case:

sbatch preFoam.sh

output (from tail slurm-1234.out):

...
Checking collated processor directories ...
processors4_0-1 exists ✓
processors4_2-3 exists ✓
Collated processor directories check: OK
preFoam.sh: Done

C. Execute the case:

sbatch runFoam.sh

output (from tail -20 slurm-1234.out):

0: time step continuity errors : sum local = 8.48331e-06, global = -2.20417e-19, cumulative = 1.46406e-15
0: Pressure gradient source: uncorrected Ubar = 0.1335, pressure gradient = 4.48647e-05
0: GAMG:  Solving for p, Initial residual = 0.0166273, Final residual = 6.73934e-07, No Iterations 5
0: time step continuity errors : sum local = 4.27078e-10, global = -1.67975e-19, cumulative = 1.46389e-15
0: Pressure gradient source: uncorrected Ubar = 0.1335, pressure gradient = 4.48459e-05
0: ExecutionTime = 161.36 s  ClockTime = 162 s
0: 
0: fieldAverage fieldAverage1 write:
0:     Calculating averages
0: 
0:     Writing average fields
0: 
0: End
0: 
0: Finalising parallel run
Running post-run checks on log.pimpleFoam.41859929...
Correct ✓: Simulation reached Time = 1000
Correct ✓: ExecutionTime = 161.36s is in range. (Less than maxExecTime=200s)
Correct ✓: UxLastInitialResidual = 0.0116483 is in range. (Less than maxUxLastInitialResidual=0.012)
runFoam.sh: Done

[AlexisEspinosaGayosso]

@Me-Basha , can you be the main reviewer? This means to perform detailed review and testing of the container. Thanks.

[Me-Basha]

yes, I can.

[Me-Basha]

looks good, I reran all the steps sucessfully.