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Update LAMMPS pre-configure hook to disable SIMD for ARM + CUDA #87

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Merged
ocaisa merged 20 commits into from
Sep 26, 2025
Merged

Update LAMMPS pre-configure hook to disable SIMD for ARM + CUDA #87

ocaisa merged 20 commits into from
Sep 26, 2025

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@laraPPr laraPPr commented Sep 23, 2025

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laraPPr commented Sep 23, 2025

testing new hook in #88

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fix python syntax
22db16b 
Signed-off-by: laraPPr <[email protected]>
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boegel commented Sep 23, 2025

testing new hook in #88

I guess you're doing this to try and avoid that the PR is merged with easystack file included?

For future cases: I think it's better to temporarily add an easystack in this PR, test, then remove and rebuild to only get tarball for updated hooks?

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laraPPr commented Sep 23, 2025

Yes I like to be carefull. I have still have not made a proposal for the policy on how we will handle this. It is somewhere on my todo.

@boegel boegel changed the title Upadate LAMMPS pre-configure hook to disable SIMD for ARM + CUDA Update LAMMPS pre-configure hook to disable SIMD for ARM + CUDA Sep 24, 2025
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laraPPr commented Sep 25, 2025

Will need to be build into the easyblock because of how the block handles generic builds.

@laraPPr laraPPr closed this Sep 25, 2025
@laraPPr laraPPr reopened this Sep 25, 2025
@laraPPr laraPPr added ready-to-deploy 2023.06-software.eessi.io 2023.06 version of software.eessi.io labels Sep 25, 2025
@ocaisa ocaisa mentioned this pull request Sep 25, 2025
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This looks good to me, I'm going to merge it and then it will get heavily tested in the software layer PR

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ocaisa commented Sep 26, 2025

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen2
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen2

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eessi-bot-aws bot commented Sep 26, 2025 •
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Loading

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: amd-zen2
Building for: x86_64/amd/zen2
Job dir: /project/def-users/SHARED/jobs/2025.09/pr_87/92559

date job status comment
Sep 26 08:40:32 UTC 2025 submitted job id 92559 awaits release by job manager
Sep 26 08:40:55 UTC 2025 released job awaits launch by Slurm scheduler
Sep 26 08:45:57 UTC 2025 running job 92559 is running
Sep 26 08:49:02 UTC 2025 finished
😁 SUCCESS (click triangle for details)
Details
✅ job output file slurm-92559.out
✅ no message matching FATAL:
✅ no message matching ERROR:
✅ no message matching FAILED:
✅ no message matching required modules missing:
✅ found message(s) matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
eessi-2023.06-software-linux-x86_64-amd-zen2-17588763690.tar.gzsize: 0 MiB (20941 bytes)
entries: 1
modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all
no module files in tarball
software under 2023.06/software/linux/x86_64/amd/zen2/software
no software packages in tarball
reprod directories under 2023.06/software/linux/x86_64/amd/zen2/reprod
no reprod directories in tarball
other under 2023.06/software/linux/x86_64/amd/zen2
2023.06/init/easybuild/eb_hooks.py
Sep 26 08:49:02 UTC 2025 test result
😁 SUCCESS (click triangle for details)
ReFrame Summary
[ OK ] ( 1/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/29Aug2024-foss-2023b-kokkos %scale=1_node /aeb2d9df @BotBuildTests:x86_64_amd_zen2+default
P: perf: 437.223 timesteps/s (r:0, l:None, u:None)
[ OK ] ( 2/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos %scale=1_node /04ff9ece @BotBuildTests:x86_64_amd_zen2+default
P: perf: 446.2 timesteps/s (r:0, l:None, u:None)
[ OK ] ( 3/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node %device_type=cpu /775175bf @BotBuildTests:x86_64_amd_zen2+default
P: latency: 1.81 us (r:0, l:None, u:None)
[ OK ] ( 4/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node %device_type=cpu /52707c40 @BotBuildTests:x86_64_amd_zen2+default
P: latency: 1.81 us (r:0, l:None, u:None)
[ OK ] ( 5/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node %device_type=cpu /b1aacda9 @BotBuildTests:x86_64_amd_zen2+default
P: latency: 3.91 us (r:0, l:None, u:None)
[ OK ] ( 6/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node %device_type=cpu /c6bad193 @BotBuildTests:x86_64_amd_zen2+default
P: latency: 4.08 us (r:0, l:None, u:None)
[ OK ] ( 7/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /15cad6c4 @BotBuildTests:x86_64_amd_zen2+default
P: latency: 0.56 us (r:0, l:None, u:None)
[ OK ] ( 8/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /6672deda @BotBuildTests:x86_64_amd_zen2+default
P: latency: 0.54 us (r:0, l:None, u:None)
[ OK ] ( 9/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /2a9a47b1 @BotBuildTests:x86_64_amd_zen2+default
P: bandwidth: 7393.28 MB/s (r:0, l:None, u:None)
[ OK ] (10/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /1b24ab8e @BotBuildTests:x86_64_amd_zen2+default
P: bandwidth: 7350.97 MB/s (r:0, l:None, u:None)
[ PASSED ] Ran 10/10 test case(s) from 10 check(s) (0 failure(s), 0 skipped, 0 aborted)
Details
✅ job output file slurm-92559.out
✅ no message matching ERROR:
✅ no message matching [\s*FAILED\s*].*Ran .* test case
Sep 26 08:51:36 UTC 2025 uploaded transfer of eessi-2023.06-software-linux-x86_64-amd-zen2-17588763690.tar.gz to S3 bucket succeeded

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eessi-bot-aws bot commented Sep 26, 2025 •
edited
Loading

New job on instance eessi-bot-mc-aws for repository eessi.io-2025.06-software
Building on: amd-zen2
Building for: x86_64/amd/zen2
Job dir: /project/def-users/SHARED/jobs/2025.09/pr_87/92560

date job status comment
Sep 26 08:40:37 UTC 2025 submitted job id 92560 awaits release by job manager
Sep 26 08:40:52 UTC 2025 released job awaits launch by Slurm scheduler
Sep 26 08:45:58 UTC 2025 finished
😁 SUCCESS (click triangle for details)
Details
✅ job output file slurm-92560.out
✅ no message matching FATAL:
✅ no message matching ERROR:
✅ no message matching FAILED:
✅ no message matching required modules missing:
✅ found message(s) matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
eessi-2025.06-software-linux-x86_64-amd-zen2-17588763420.tar.gzsize: 0 MiB (20942 bytes)
entries: 1
modules under 2025.06/software/linux/x86_64/amd/zen2/modules/all
no module files in tarball
software under 2025.06/software/linux/x86_64/amd/zen2/software
no software packages in tarball
reprod directories under 2025.06/software/linux/x86_64/amd/zen2/reprod
no reprod directories in tarball
other under 2025.06/software/linux/x86_64/amd/zen2
2025.06/init/easybuild/eb_hooks.py
Sep 26 08:45:58 UTC 2025 test result
😢 FAILURE (click triangle for details)
Reason
EESSI test suite was not run, test step itself failed to execute.
Details
✅ job output file slurm-92560.out
❌ found message matching ERROR:
✅ no message matching [\s*FAILED\s*].*Ran .* test case
Sep 26 08:51:45 UTC 2025 uploaded transfer of eessi-2025.06-software-linux-x86_64-amd-zen2-17588763420.tar.gz to S3 bucket succeeded

@ocaisa ocaisa merged commit 39fe1a4 into EESSI:main Sep 26, 2025
66 of 68 checks passed
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@laraPPr @boegel @ocaisa