Move LAMMPS hook to a pre_test hook by casparvl · Pull Request #211 · EESSI/software-layer-scripts

casparvl · 2026-04-21T16:36:11Z

Move lammps hook to a pre_test hook that is specific to LAMMPS, so it doesn't get invoked as often - and cannot result in errors in unintended places.

Solves #213

… doesn't get invoked as often - and cannot result in errors in unintended places

… need to run with --rebuild to prove it works

casparvl · 2026-04-21T22:43:44Z

Test if this works just as well as the original fix in #194

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws for:arch=aarch64/generic

eessi-bot-aws · 2026-04-21T22:43:51Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2025.06-software
Building on: generic
Building for: aarch64/generic
Job dir: /project/def-users/SHARED/jobs/2026.04/pr_211/150090

date	job status	comment
Apr 21 22:43:50 UTC 2026	submitted	job id `150090` awaits release by job manager
Apr 21 22:44:17 UTC 2026	released	job awaits launch by Slurm scheduler
Apr 21 22:50:20 UTC 2026	running	job `150090` is running
Apr 22 00:05:53 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-150090.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.* created!` Artefacts `eessi-2025.06-software-linux-aarch64-generic-17768162100.tar.zst` size: 157 MiB (165513084 bytes) entries: 5304 modules under 2025.06/software/linux/aarch64/generic/modules/all `kim-api/2.4.1-GCC-13.3.0.lua` `LAMMPS/22Jul2025-foss-2024a-kokkos.lua` software under 2025.06/software/linux/aarch64/generic/software `kim-api/2.4.1-GCC-13.3.0` `LAMMPS/22Jul2025-foss-2024a-kokkos` reprod directories under 2025.06/software/linux/aarch64/generic/reprod `kim-api/2.4.1-GCC-13.3.0/20260401_090428UTC` `kim-api/2.4.1-GCC-13.3.0/20260421_225218UTC` `LAMMPS/22Jul2025-foss-2024a-kokkos/20260401_103218UTC` `LAMMPS/22Jul2025-foss-2024a-kokkos/20260422_000309UTC` other under 2025.06/software/linux/aarch64/generic `2025.06/init/easybuild/eb_hooks.py`
Apr 22 00:05:53 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ OK ] (1/5) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/22Jul2025-foss-2024a-kokkos %scale=1_node /ade8cad7 @BotBuildTests:aarch64-generic+default P: perf: 653.585 timesteps/s (r:0, l:None, u:None) [ OK ] (2/5) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node %device_type=cpu /e4bf9965 @BotBuildTests:aarch64-generic+default P: latency: 2.0 us (r:0, l:None, u:None) [ OK ] (3/5) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node %device_type=cpu /3da4890b @BotBuildTests:aarch64-generic+default P: latency: 5.43 us (r:0, l:None, u:None) [ OK ] (4/5) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node /3255009a @BotBuildTests:aarch64-generic+default P: latency: 0.28 us (r:0, l:None, u:None) [ OK ] (5/5) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node /59f4b331 @BotBuildTests:aarch64-generic+default P: bandwidth: 16298.85 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 5/5 test case(s) from 5 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-150090.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

laraPPr · 2026-04-21T23:24:58Z

Did not notice that you added the easystack. It was not necessary to add the rebuild of kim-api.

laraPPr · 2026-04-21T23:25:31Z

It is also taking suspiciously lang especially since it is on ARM

…-5.2.1-2024a.yml

casparvl · 2026-04-22T07:20:29Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws for:arch=aarch64/generic
bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen2

eessi-bot-aws · 2026-04-22T07:20:36Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2025.06-software
Building on: generic
Building for: aarch64/generic
Job dir: /project/def-users/SHARED/jobs/2026.04/pr_211/150379

date	job status	comment
Apr 22 07:20:35 UTC 2026	submitted	job id `150379` awaits release by job manager
Apr 22 07:21:29 UTC 2026	released	job awaits launch by Slurm scheduler
Apr 22 07:27:34 UTC 2026	running	job `150379` is running
Apr 22 07:29:41 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-150379.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.* created!` Artefacts `eessi-2025.06-software-linux-aarch64-generic-17768428440.tar.zst` size: 0 MiB (27924 bytes) entries: 1 modules under 2025.06/software/linux/aarch64/generic/modules/all no module files in tarball software under 2025.06/software/linux/aarch64/generic/software no software packages in tarball reprod directories under 2025.06/software/linux/aarch64/generic/reprod no reprod directories in tarball other under 2025.06/software/linux/aarch64/generic `2025.06/init/easybuild/eb_hooks.py`
Apr 22 07:29:41 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ OK ] (1/5) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/22Jul2025-foss-2024a-kokkos %scale=1_node /ade8cad7 @BotBuildTests:aarch64-generic+default P: perf: 661.469 timesteps/s (r:0, l:None, u:None) [ OK ] (2/5) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node %device_type=cpu /e4bf9965 @BotBuildTests:aarch64-generic+default P: latency: 2.0 us (r:0, l:None, u:None) [ OK ] (3/5) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node %device_type=cpu /3da4890b @BotBuildTests:aarch64-generic+default P: latency: 5.43 us (r:0, l:None, u:None) [ OK ] (4/5) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node /3255009a @BotBuildTests:aarch64-generic+default P: latency: 0.28 us (r:0, l:None, u:None) [ OK ] (5/5) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node /59f4b331 @BotBuildTests:aarch64-generic+default P: bandwidth: 15642.75 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 5/5 test case(s) from 5 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-150379.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Apr 22 08:38:54 UTC 2026	uploaded	transfer of `eessi-2025.06-software-linux-aarch64-generic-17768428440.tar.zst` to S3 bucket succeeded

eessi-bot-aws · 2026-04-22T07:20:39Z

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/2026.04/pr_211/150380

date	job status	comment
Apr 22 07:20:38 UTC 2026	submitted	job id `150380` awaits release by job manager
Apr 22 07:21:31 UTC 2026	released	job awaits launch by Slurm scheduler
Apr 22 07:27:36 UTC 2026	running	job `150380` is running
Apr 22 07:31:44 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-150380.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.* created!` Artefacts `eessi-2023.06-software-linux-x86_64-amd-zen2-17768428870.tar.zst` size: 0 MiB (27921 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`
Apr 22 07:31:44 UTC 2026	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-zen2+default P: perf: 432.962 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-zen2+default P: perf: 451.66 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-zen2+default P: latency: 2.77 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-zen2+default P: latency: 2.64 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-zen2+default P: latency: 6.01 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-zen2+default P: latency: 5.53 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-zen2+default P: latency: 0.83 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-zen2+default P: latency: 1.76 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-zen2+default P: bandwidth: 6290.72 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-zen2+default P: bandwidth: 6295.05 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-150380.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Apr 22 08:39:02 UTC 2026	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-amd-zen2-17768428870.tar.zst` to S3 bucket succeeded

bedroge · 2026-04-22T08:44:48Z

Staging PR merged

Caspar van Leeuwen added 3 commits April 21, 2026 18:26

Move lammps hook to a pre_test hook that is specific to LAMMPS, so it…

3df373d

… doesn't get invoked as often - and cannot result in errors in unintended places

Add Easystack to prove this hook still works

0b9435b

Move stack to rebuilds, as this LAMMPS was already deployed. So we'll…

7a30b02

… need to run with --rebuild to prove it works

Delete easystacks/software.eessi.io/2025.06/rebuilds/eessi-2025.06-eb…

3b100c8

…-5.2.1-2024a.yml

casparvl marked this pull request as ready for review April 22, 2026 07:58

bedroge approved these changes Apr 22, 2026

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bedroge added the bot:deploy label Apr 22, 2026

bedroge merged commit 68745a9 into EESSI:main Apr 22, 2026
72 of 76 checks passed

casparvl mentioned this pull request Apr 22, 2026

install_cuda_and_libraries.sh broken due to LAMMPS pre_run_shell_cmd_hook #213

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Move LAMMPS hook to a pre_test hook#211

Move LAMMPS hook to a pre_test hook#211
bedroge merged 4 commits intoEESSI:mainfrom
casparvl:move_away_from_prerun_cmd_hook

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