{2023.06}[2023b,grace] apps originally built with EB 4.9.3 #992

trz42 · 2025-03-31T18:54:54Z

This PR adds GROMACS and LAMMPS. It needs to use --from-commit because PRs for easyconfigs were only merged after EB release 4.9.4. For LAMMPS it also uses a commit for an updated easyblock that strictly speaking may not be necessary because the PR was targeting building for Sapphire Rapids.

eessi-bot · 2025-03-31T18:54:58Z

Instance eessi-bot-mc-aws is configured to build for:

architectures: x86_64/generic, x86_64/intel/haswell, x86_64/intel/sapphirerapids, x86_64/intel/skylake_avx512, x86_64/amd/zen2, x86_64/amd/zen3, aarch64/generic, aarch64/neoverse_n1, aarch64/neoverse_v1
repositories: eessi.io-2023.06-software, eessi.io-2023.06-compat

eessi-bot · 2025-03-31T18:54:59Z

Instance eessi-bot-mc-azure is configured to build for:

architectures: x86_64/amd/zen4
repositories: eessi.io-2023.06-compat, eessi.io-2023.06-software

eessi-bot-trz42 · 2025-03-31T18:54:59Z

Instance trz42-GH200-jr is configured to build for:

architectures: aarch64/nvidia/grace
repositories: eessi.io-2023.06-software

eessi-bot-toprichard · 2025-03-31T18:54:59Z

Instance rt-Grace-jr is configured to build for:

architectures: aarch64/nvidia/grace
repositories: eessi.io-2023.06-software

trz42 · 2025-03-31T18:55:59Z

Building on JURECA-DC may not work until some issue with the system has been resolved.

trz42 · 2025-04-01T16:00:55Z

bot: build instance:trz42-GH200-jr repository:eessi.io-2023.06-software architecture:aarch64/nvidia/grace exportvariable:SKIP_TESTS=yes

eessi-bot · 2025-04-01T16:00:58Z

Updates by the bot instance eessi-bot-mc-aws (click for details)

parsing the bot command build instance:trz42-GH200-jr repository:eessi.io-2023.06-software architecture:aarch64/nvidia/grace exportvariable:SKIP_TESTS=yes, received from sender trz42, failed

eessi-bot · 2025-04-01T16:00:59Z

Updates by the bot instance eessi-bot-mc-azure (click for details)

parsing the bot command build instance:trz42-GH200-jr repository:eessi.io-2023.06-software architecture:aarch64/nvidia/grace exportvariable:SKIP_TESTS=yes, received from sender trz42, failed

eessi-bot-toprichard · 2025-04-01T16:00:59Z

Updates by the bot instance rt-Grace-jr (click for details)

account trz42 has NO permission to send commands to the bot

eessi-bot-trz42 · 2025-04-01T16:00:59Z

Updates by the bot instance trz42-GH200-jr (click for details)

received bot command build instance:trz42-GH200-jr repository:eessi.io-2023.06-software architecture:aarch64/nvidia/grace exportvariable:SKIP_TESTS=yes from trz42
- expanded format: build instance:trz42-GH200-jr repository:eessi.io-2023.06-software architecture:aarch64/nvidia/grace exportvariable:SKIP_TESTS=yes
handling command build instance:trz42-GH200-jr repository:eessi.io-2023.06-software architecture:aarch64/nvidia/grace exportvariable:SKIP_TESTS=yes resulted in:
- submitted job 13549366, for details & status see {2023.06}[2023b,grace] apps originally built with EB 4.9.3 #992 (comment)

eessi-bot-trz42 · 2025-04-01T16:01:05Z

New job on instance trz42-GH200-jr for CPU micro-architecture aarch64-nvidia-grace for repository eessi.io-2023.06-software in job dir /p/project1/ceasybuilders/bot-trz42/jobs/2025.04/pr_992/13549366

date	job status	comment
Apr 01 16:01:03 UTC 2025	submitted	job id `13549366` awaits release by job manager
Apr 01 16:01:52 UTC 2025	released	job awaits launch by Slurm scheduler
Apr 01 16:02:56 UTC 2025	running	job `13549366` is running
Apr 01 18:04:18 UTC 2025	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-13549366.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-aarch64-nvidia-grace-1743530377.tar.gz` size: 369 MiB (387861003 bytes) entries: 12286 modules under 2023.06/software/linux/aarch64/nvidia/grace/modules/all `FFmpeg/6.0-GCCcore-13.2.0.lua` `GROMACS/2024.3-foss-2023b.lua` `LAMMPS/29Aug2024-foss-2023b-kokkos.lua` `MDI/1.4.29-gompi-2023b.lua` `PLUMED/2.9.2-foss-2023b.lua` `SDL2/2.28.5-GCCcore-13.2.0.lua` `VTK/9.3.0-foss-2023b.lua` `Voro++/0.4.6-GCCcore-13.2.0.lua` `archspec/0.2.2-GCCcore-13.2.0.lua` `ffnvcodec/12.1.14.0.lua` `kim-api/2.3.0-GCC-13.2.0.lua` `x264/20231019-GCCcore-13.2.0.lua` `x265/3.5-GCCcore-13.2.0.lua` software under 2023.06/software/linux/aarch64/nvidia/grace/software `FFmpeg/6.0-GCCcore-13.2.0` `GROMACS/2024.3-foss-2023b` `LAMMPS/29Aug2024-foss-2023b-kokkos` `MDI/1.4.29-gompi-2023b` `PLUMED/2.9.2-foss-2023b` `SDL2/2.28.5-GCCcore-13.2.0` `VTK/9.3.0-foss-2023b` `Voro++/0.4.6-GCCcore-13.2.0` `archspec/0.2.2-GCCcore-13.2.0` `ffnvcodec/12.1.14.0` `kim-api/2.3.0-GCC-13.2.0` `x264/20231019-GCCcore-13.2.0` `x265/3.5-GCCcore-13.2.0` other under 2023.06/software/linux/aarch64/nvidia/grace no other files in tarball
Apr 01 18:04:18 UTC 2025	test result	😢 FAILURE (click triangle for details) Reason Failed for unknown reason Details ✅ job output file `slurm-13549366.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Apr 01 19:29:15 UTC 2025	uploaded	transfer of `eessi-2023.06-software-linux-aarch64-nvidia-grace-1743530377.tar.gz` to S3 bucket succeeded

TopRichard

Shouldn't the commit 8e4d509711db42200c1f4e4cfc88bcef7aee80b7 be used for GROMACS-2024.3-foss-2023b.eb ?

trz42 · 2025-04-01T19:12:44Z

Shouldn't the commit 8e4d509711db42200c1f4e4cfc88bcef7aee80b7 be used for GROMACS-2024.3-foss-2023b.eb ?

Why that one? Because it's the merge commit? Technically no difference to the one I used (which is also the same that was used in #946

TopRichard · 2025-04-01T19:27:12Z

Shouldn't the commit 8e4d509711db42200c1f4e4cfc88bcef7aee80b7 be used for GROMACS-2024.3-foss-2023b.eb ?

Why that one? Because it's the merge commit? Technically no difference to the one I used (which is also the same that was used in #946

Yes because it is the merge commit, but technically in this case there is no difference.

eessi-bot-toprichard · 2025-04-01T19:29:02Z

Label bot:deploy has been set by user trz42, but this person does not have permission to trigger deployments

lgtm with the current changes

TopRichard

lgtm

TopRichard · 2025-04-02T05:22:20Z

Tarball ingested, accessible

eessi-bot · 2025-04-02T05:22:43Z

PR merged! Moved [] to /project/def-users/SHARED/trash_bin/EESSI/software-layer/2025.04.02

eessi-bot · 2025-04-02T05:22:44Z

PR merged! Moved [] to /project/def-users/SHARED/trash_bin/EESSI/software-layer/2025.04.02

eessi-bot-trz42 · 2025-04-02T05:22:44Z

PR merged! Moved ['/p/project1/ceasybuilders/bot-trz42/jobs/2025.04/pr_992/13549366'] to /p/project1/ceasybuilders/bot-trz42/trash_bin/EESSI/software-layer/2025.04.02

{2023.06}[2023b,grace] apps originally built with EB 4.9.3

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trz42 added 2023.06-software.eessi.io 2023.06 version of software.eessi.io grace NVIDIA Grace CPU labels Mar 31, 2025

trz42 mentioned this pull request Mar 31, 2025

Notes on building stack for NVIDIA Grace & Grace/Hopper #967

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trz42 added the ready-to-review label Apr 1, 2025

TopRichard previously requested changes Apr 1, 2025

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TopRichard added ready-to-deploy Mark a PR as ready to deploy and removed ready-to-review labels Apr 1, 2025

trz42 added bot:deploy Ask bot to deploy missing software installations to EESSI and removed ready-to-deploy Mark a PR as ready to deploy labels Apr 1, 2025

TopRichard approved these changes Apr 2, 2025

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TopRichard merged commit c14f8fd into EESSI:2023.06-software.eessi.io Apr 2, 2025
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trz42 mentioned this pull request Apr 20, 2025

Notes on building the stack for Fujitsu A64FX #1024

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agimenog mentioned this pull request Aug 13, 2025

{2023.06}[2023b,a64fx] apps originally built with EB 4.9.3 #1152

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{2023.06}[2023b,grace] apps originally built with EB 4.9.3 #992

{2023.06}[2023b,grace] apps originally built with EB 4.9.3 #992

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