update Kokkos CPU mapping for LAMMPS >= 2Aug2023 to use icx on Intel Icelake systems

[steenlysgaard]

I noticed this when installing LAMMPS on our icelake servers and felt it was a typo.

[ocaisa]

Whether this is supported or not is dependent on the LAMMPS version. The correct place to make the update is within

https://github.com/easybuilders/easybuild-easyblocks/blob/develop/easybuild/easyblocks/l/lammps.py#L228

[boegel]

@steenlysgaard Are you planning to follow up on this?

[steenlysgaard]

@boegel I have done the change as @ocaisa suggested.

[steenlysgaard]

I found the relevant LAMMPS version by looking at this file https://github.com/lammps/lammps/blob/stable_2Aug2023/lib/kokkos/generate_makefile.bash#L182 for different LAMMPS releases

[boegel]

@casparvl Can you submit a test report for this using LAMMPS-29Aug2024-foss-2023b-kokkos.eb on your Icelake system?

[boegel]

@boegelbot please test @ jsc-zen3
EB_ARGS="LAMMPS-29Aug2024-foss-2023b-kokkos.eb"

[boegelbot]

@boegel: 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=3321 EB_ARGS="LAMMPS-29Aug2024-foss-2023b-kokkos.eb" EB_REPO=easybuild-easyblocks EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_3321 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

• exit code: 0
• output:

Submitted batch job 5031

Test results coming soon (I hope)...

Details

- notification for comment with ID 2400686279 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]

Test report by @boegelbot

Overview of tested easyconfigs (in order)

• SUCCESS LAMMPS-29Aug2024-foss-2023b-kokkos.eb

Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.4, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.18
See https://gist.github.com/boegelbot/6634276ac668587383497021ee4ff0f8 for a full test report.

[laraPPr]

Succesfull build on IceLake See easybuilders/easybuild-easyconfigs#21436 (comment)
And used the correct Kokkos package:

== Determined cpu arch: ICX
== Using Kokkos package with arch: CPU - ICX, GPU - None

[laraPPr]

lgtm