MFiX/24.4.1-intel-2023b by moravveji · Pull Request #22212 · easybuilders/easybuild-easyconfigs

moravveji · 2025-01-24T15:34:07Z

With this PR, I share a new easyconfig for MFiX (open source alternative to Fluent).

Remarks:

testing is done in the build folder, and the test sources/artefacts are preserved (i.e. not copied to the install folder)
even thought the software is compiled with Intel MPI, the test is done serially, because I did not know the correct configuration for running the test case and the correct number of MPI processes needed

ocaisa · 2025-01-27T09:33:25Z

+    '-DCMAKE_Fortran_COMPILER=mpiifort',
+    '-DCMAKE_C_COMPILER=mpiicc',
+    '-DCMAKE_CXX_COMPILER=mpiicpc',
+    '-DCMAKE_Fortran_FLAGS="-O2 -Wall -fcheck=all"',


Are you sure these are necessary? Setting the MPI compilers is done automatically via

toolchainopts = {'usempi': True}

For the Fortran flags, you may need additional options, but you can also use toolchainopts to set those, e.g.,

toolchainopts = {'extra_fflags': '-fcheck=all'}

You can always check what environment variables are being set, and what the configure command looks like using --trace

Sure. I tried to adapt your requested changes in 0fef015.

ocaisa · 2025-01-27T12:23:25Z

@boegelbot please test @ jsc-zen3

boegelbot · 2025-01-27T12:30:08Z

@ocaisa: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=22212 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_22212 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 5606

Test results coming soon (I hope)...

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boegelbot · 2025-01-27T12:30:44Z

Test report by @boegelbot
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/749e3a5758557e08d12302cbbc3c2060 for a full test report.

ocaisa · 2025-01-27T16:17:30Z

+toolchainopts = {
+    'usempi': True,
+    'pic': True,
+    'extra_fflags': '-fallow-argument-mismatch',


In the logs I've seen, this is actually not recognised by the compiler:

ifort: command line warning #10006: ignoring unknown option '-fallow-argument-mismatch'

Did you mean -fcheck=all?

Shall I keep this option really?

Not if you don't need it for the build

moravveji · 2025-01-27T18:21:11Z

Test report by @boegelbot FAILED Build succeeded for 0 out of 1 (1 easyconfigs in total) jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21 See https://gist.github.com/boegelbot/749e3a5758557e08d12302cbbc3c2060 for a full test report.

The software is open-source and free of charge, but the access to the different versions of the source code are behind a login (more and less like MATLAB). How can we let different platforms test the build then?

Thyre · 2025-01-27T19:32:45Z

The software is open-source and free of charge, but the access to the different versions of the source code are behind a login (more and less like MATLAB). How can we let different platforms test the build then?

You can add download instructions to EasyConfigs. People with access to the test clusters can then download the software beforehand and trigger the bot to do the build.

See https://github.com/easybuilders/easybuild-easyconfigs/blob/develop/easybuild/easyconfigs/p/PDT/PDT-3.25.2-GCCcore-13.3.0.eb for example

moravveji · 2025-01-28T09:05:53Z

The software is open-source and free of charge, but the access to the different versions of the source code are behind a login (more and less like MATLAB). How can we let different platforms test the build then?

You can add download instructions to EasyConfigs. People with access to the test clusters can then download the software beforehand and trigger the bot to do the build.

See https://github.com/easybuilders/easybuild-easyconfigs/blob/develop/easybuild/easyconfigs/p/PDT/PDT-3.25.2-GCCcore-13.3.0.eb for example

Sure thing. I included that in 06b68e5

ocaisa · 2025-01-29T09:38:18Z

I've requested an account, when I can get the sources I will trigger a build so we can get a test report.

ocaisa · 2025-02-03T08:27:37Z

Still waiting for access to the sources...

moravveji · 2025-02-17T06:19:01Z

Still waiting for access to the sources...

This waiting time is odd. Shall we contact them directly and mention the request?

boegelbot · 2025-03-05T16:50:10Z

@ocaisa: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=22212 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_22212 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 5874

Test results coming soon (I hope)...

Details

- notification for comment with ID 2701511779 processed

Message to humans: this is just bookkeeping information for me,
it is of no use to you (unless you think I have a bug, which I don't).

boegelbot · 2025-03-05T16:53:10Z

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/c1a4eec86cd4e1e700d2c7d6bc6f9c41 for a full test report.

ocaisa · 2025-03-05T17:06:49Z

@boegelbot please test @ jsc-zen3

ocaisa

LGTM

ocaisa · 2025-03-05T17:16:28Z

@boegelbot please test @ jsc-zen3

boegelbot · 2025-03-05T17:20:09Z

@ocaisa: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=22212 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_22212 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 5876

Test results coming soon (I hope)...

Details

- notification for comment with ID 2701581631 processed

Message to humans: this is just bookkeeping information for me,
it is of no use to you (unless you think I have a bug, which I don't).

boegelbot · 2025-03-05T17:22:43Z

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/5eb0329bd767a03e5ac5f50c66652776 for a full test report.

ocaisa · 2025-03-05T18:15:54Z

Unfortunately this requires a framework PR to fix the style checks: https://github.com/easybuilders/easybuild-framework/blob/6e68abeaeb54789a6be46ebe398384d2203c82d4/easybuild/framework/easyconfig/style.py#L103

ocaisa · 2025-03-06T08:51:56Z

@boegelbot please test @ jsc-zen3

boegelbot · 2025-03-06T09:00:12Z

@ocaisa: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=22212 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_22212 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 5891

Test results coming soon (I hope)...

Details

- notification for comment with ID 2703197421 processed

Message to humans: this is just bookkeeping information for me,
it is of no use to you (unless you think I have a bug, which I don't).

boegelbot · 2025-03-06T09:03:00Z

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/3dfb89b95f27529d8d6a2e05102045d4 for a full test report.

ocaisa · 2025-03-06T09:08:08Z

What a marathon, thanks for the endurance @moravveji !

moravveji · 2025-03-06T09:47:40Z

THANKS @ocaisa for all great inputs, and the pushes ;-)

Adding new easyconfig for MFiX/24.3-intel-2023b

eefbf2c

github-actions Bot added the new label Jan 24, 2025

moravveji added 3 commits January 27, 2025 07:31

changing description string

2462e86

shorter decription lines

53d587e

fix indentation

44188b4

ocaisa requested changes Jan 27, 2025

View reviewed changes

moravveji added 2 commits January 27, 2025 11:15

removing -DCMAKE_BUILT_TYPE

b31a41c

improving configopts

0fef015

ocaisa reviewed Jan 27, 2025

View reviewed changes