{2023.06}[foss/2023b] LAMMPS 29Aug2024 #725

laraPPr · 2024-09-19T07:32:40Z

No description provided.

eessi-bot · 2024-09-19T07:32:44Z

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

architectures: x86_64/generic, x86_64/intel/haswell, 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-compat, eessi-hpc.org-2023.06-software, eessi-hpc.org-2023.06-compat, eessi.io-2023.06-software

eessi-build-deploy-bot-deucalion · 2024-09-19T07:32:44Z

Instance boegel-bot-deucalion is configured to build for:

architectures: aarch64/a64fx
repositories: eessi.io-2023.06-software

eessi-bot · 2024-09-19T07:32:44Z

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

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

laraPPr · 2024-09-19T07:33:35Z

bot: build repo:eessi.io-2023.06-software arch:aarch64/neoverse_v1

eessi-bot · 2024-09-19T07:33:37Z

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

received bot command build repo:eessi.io-2023.06-software arch:aarch64/neoverse_v1 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_v1
handling command build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_v1 resulted in:
- submitted job 19108, for details & status see {2023.06}[foss/2023b] LAMMPS 29Aug2024 #725 (comment)

eessi-bot · 2024-09-19T07:33:37Z

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

received bot command build repo:eessi.io-2023.06-software arch:aarch64/neoverse_v1 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_v1
handling command build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_v1 resulted in:
- no jobs were submitted

eessi-build-deploy-bot-deucalion · 2024-09-19T07:33:38Z

Updates by the bot instance boegel-bot-deucalion (click for details)

account laraPPr has NO permission to send commands to the bot

eessi-bot · 2024-09-19T07:33:42Z

New job on instance eessi-bot-mc-aws for CPU micro-architecture aarch64-neoverse_v1 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_725/19108

date	job status	comment
Sep 19 07:33:41 UTC 2024	submitted	job id `19108` awaits release by job manager
Sep 19 07:34:33 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 19 07:39:41 UTC 2024	running	job `19108` is running
Sep 19 07:42:49 UTC 2024	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-19108.out` ❌ found message matching `ERROR:` ✅ no message matching `FAILED:` ✅ no message matching `required modules missing:` ❌ no message matching `No missing installations` ✅ found message matching `.tar.gz created!` Artefacts No artefacts were created or found.
Sep 19 07:42:49 UTC 2024	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-19108.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

laraPPr · 2024-09-19T07:50:14Z

bot: build repo:eessi.io-2023.06-software arch:aarch64/neoverse_v1

eessi-bot · 2024-09-19T07:50:17Z

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

received bot command build repo:eessi.io-2023.06-software arch:aarch64/neoverse_v1 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_v1
handling command build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_v1 resulted in:
- submitted job 19109, for details & status see {2023.06}[foss/2023b] LAMMPS 29Aug2024 #725 (comment)

eessi-build-deploy-bot-deucalion · 2024-09-19T07:50:17Z

Updates by the bot instance boegel-bot-deucalion (click for details)

account laraPPr has NO permission to send commands to the bot

eessi-bot · 2024-09-19T07:50:17Z

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

received bot command build repo:eessi.io-2023.06-software arch:aarch64/neoverse_v1 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_v1
handling command build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_v1 resulted in:
- no jobs were submitted

eessi-bot · 2024-09-19T07:50:21Z

New job on instance eessi-bot-mc-aws for CPU micro-architecture aarch64-neoverse_v1 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_725/19109

date	job status	comment
Sep 19 07:50:20 UTC 2024	submitted	job id `19109` awaits release by job manager
Sep 19 07:51:02 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 19 07:52:05 UTC 2024	running	job `19109` is running
Sep 19 08:42:08 UTC 2024	finished	😢 FAILURE (click triangle for details) Reason EasyConfig not found during missing installation check. Are you sure all PRs referenced have been merged in EasyBuild? Details ✅ job output file `slurm-19109.out` ❌ found message matching `ERROR:` ✅ no message matching `FAILED:` ✅ no message matching `required modules missing:` ❌ no message matching `No missing installations` ✅ found message matching `.tar.gz created!` Artefacts `eessi-2023.06-software-linux-aarch64-neoverse_v1-1726734663.tar.gz` size: 325 MiB (341106077 bytes) entries: 11518 modules under 2023.06/software/linux/aarch64/neoverse_v1/modules/all `archspec/0.2.2-GCCcore-13.2.0.lua` `FFmpeg/6.0-GCCcore-13.2.0.lua` `ffnvcodec/12.1.14.0.lua` `kim-api/2.3.0-GCC-13.2.0.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` `Voro++/0.4.6-GCCcore-13.2.0.lua` `VTK/9.3.0-foss-2023b.lua` `x264/20231019-GCCcore-13.2.0.lua` `x265/3.5-GCCcore-13.2.0.lua` software under 2023.06/software/linux/aarch64/neoverse_v1/software `archspec/0.2.2-GCCcore-13.2.0` `FFmpeg/6.0-GCCcore-13.2.0` `ffnvcodec/12.1.14.0` `kim-api/2.3.0-GCC-13.2.0` `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` `Voro++/0.4.6-GCCcore-13.2.0` `VTK/9.3.0-foss-2023b` `x264/20231019-GCCcore-13.2.0` `x265/3.5-GCCcore-13.2.0` other under 2023.06/software/linux/aarch64/neoverse_v1 `2023.06/init/easybuild/eb_hooks.py`
Sep 19 08:42:08 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 10/10 test case(s) from 10 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-19109.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

laraPPr · 2024-09-19T07:53:41Z

eb_hooks.py

@@ -301,7 +301,7 @@ def parse_hook_lammps_remove_deps_for_CI_aarch64(ec, *args, **kwargs):
 """
 Remove x86_64 specific dependencies for the CI to pass on aarch64
 """
- if ec.name == 'LAMMPS' and ec.version in ('2Aug2023_update2',):
+ if ec.name == 'LAMMPS' and ec.version in ('2Aug2023_update2', '29Aug2024'):


Since we will still needs this hook for 29Aug2024 it is probably not an issue but for later versions this might become a problem. When the version is not included, the build errors out with:

== 2024-09-19 07:39:28,463 build_log.py:171 ERROR EasyBuild crashed with an error (at easybuild/tools/build_log.py:111 in caller_info): Failed to process easyconfig /tmp/eb-3_9md2gk/eb-p410if82/files_pr21436/l/LAMMPS/LAMMPS-29Aug2024-foss-2023b-kokkos.eb: LAMMPS-specific hook triggered for non-LAMMPS easyconfig?! (at easybuild/framework/easyconfig/easyconfig.py:2094 in process_easyconfi

It's good to be strict here, because we do expect that for a future LAMMPS version this will not be required anymore?

laraPPr · 2024-09-19T08:57:34Z

@bedroge @trz42 @boegel Can one of you look at the logs of the bot. Because it seems like all the builds succeeded but something else caused the bot the report a failure. I also vaguely remember this problem this I think is caused by doing a missing modules check in the end of the build

laraPPr · 2024-09-19T09:01:03Z

Found it was the same with CP2K #630 (comment)

laraPPr · 2024-09-19T09:02:49Z

It should however already apply that hook so I'm not understanding

boegel · 2024-09-19T09:35:07Z

@laraPPr I see this:

>> Checking for missing installations in /cvmfs/software.eessi.io/versions/2023.06/software/linux/aarch64/neoverse_v1...
ERROR: One or more files not found: LAMMPS-29Aug2024-foss-2023b-kokkos.eb (search paths: /tmp/tmp.bPMHyuN7OQ/easyconfigs/easybuild/easyconfigs)

easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-4.9.3-2023b.yml

laraPPr · 2024-09-19T10:03:24Z

bot: build repo:eessi.io-2023.06-software arch:aarch64/neoverse_v1

eessi-bot · 2024-09-19T10:03:27Z

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

received bot command build repo:eessi.io-2023.06-software arch:aarch64/neoverse_v1 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_v1
handling command build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_v1 resulted in:
- submitted job 19116, for details & status see {2023.06}[foss/2023b] LAMMPS 29Aug2024 #725 (comment)

eessi-bot · 2024-09-19T10:03:27Z

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

received bot command build repo:eessi.io-2023.06-software arch:aarch64/neoverse_v1 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_v1
handling command build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_v1 resulted in:
- no jobs were submitted

eessi-bot · 2024-09-19T10:03:31Z

New job on instance eessi-bot-mc-aws for CPU micro-architecture aarch64-neoverse_v1 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_725/19116

date	job status	comment
Sep 19 10:03:30 UTC 2024	submitted	job id `19116` awaits release by job manager
Sep 19 10:04:19 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 19 10:09:27 UTC 2024	running	job `19116` is running
Sep 19 11:00:06 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-19116.out` ✅ 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-neoverse_v1-1726742973.tar.gz` size: 325 MiB (341124356 bytes) entries: 11518 modules under 2023.06/software/linux/aarch64/neoverse_v1/modules/all `archspec/0.2.2-GCCcore-13.2.0.lua` `FFmpeg/6.0-GCCcore-13.2.0.lua` `ffnvcodec/12.1.14.0.lua` `kim-api/2.3.0-GCC-13.2.0.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` `Voro++/0.4.6-GCCcore-13.2.0.lua` `VTK/9.3.0-foss-2023b.lua` `x264/20231019-GCCcore-13.2.0.lua` `x265/3.5-GCCcore-13.2.0.lua` software under 2023.06/software/linux/aarch64/neoverse_v1/software `archspec/0.2.2-GCCcore-13.2.0` `FFmpeg/6.0-GCCcore-13.2.0` `ffnvcodec/12.1.14.0` `kim-api/2.3.0-GCC-13.2.0` `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` `Voro++/0.4.6-GCCcore-13.2.0` `VTK/9.3.0-foss-2023b` `x264/20231019-GCCcore-13.2.0` `x265/3.5-GCCcore-13.2.0` other under 2023.06/software/linux/aarch64/neoverse_v1 `2023.06/init/easybuild/eb_hooks.py`
Sep 19 11:00:06 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 10/10 test case(s) from 10 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-19116.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

eessi-build-deploy-bot-deucalion · 2024-09-19T10:03:34Z

Updates by the bot instance boegel-bot-deucalion (click for details)

account laraPPr has NO permission to send commands to the bot

laraPPr · 2024-09-19T11:21:25Z

bot: build repo:eessi.io-2023.06-software arch:aarch64/generic
bot: build repo:eessi.io-2023.06-software arch:aarch64/neoverse_n1

eessi-build-deploy-bot-deucalion · 2024-09-19T11:21:28Z

Updates by the bot instance boegel-bot-deucalion (click for details)

account laraPPr has NO permission to send commands to the bot

eessi-bot · 2024-09-19T11:21:28Z

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

received bot command build repo:eessi.io-2023.06-software arch:aarch64/generic from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/generic
received bot command build repo:eessi.io-2023.06-software arch:aarch64/neoverse_n1 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_n1
handling command build repository:eessi.io-2023.06-software architecture:aarch64/generic resulted in:
- submitted job 19117, for details & status see {2023.06}[foss/2023b] LAMMPS 29Aug2024 #725 (comment)
handling command build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_n1 resulted in:
- submitted job 19118, for details & status see {2023.06}[foss/2023b] LAMMPS 29Aug2024 #725 (comment)

eessi-bot · 2024-09-19T11:21:29Z

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

received bot command build repo:eessi.io-2023.06-software arch:aarch64/generic from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/generic
received bot command build repo:eessi.io-2023.06-software arch:aarch64/neoverse_n1 from laraPPr
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_n1
handling command build repository:eessi.io-2023.06-software architecture:aarch64/generic resulted in:
- no jobs were submitted
handling command build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_n1 resulted in:
- no jobs were submitted

eessi-bot · 2024-09-19T11:21:32Z

New job on instance eessi-bot-mc-aws for CPU micro-architecture aarch64-generic for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_725/19117

date	job status	comment
Sep 19 11:21:31 UTC 2024	submitted	job id `19117` awaits release by job manager
Sep 19 11:22:29 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 19 11:27:35 UTC 2024	running	job `19117` is running
Sep 19 12:32:49 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-19117.out` ✅ 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-generic-1726748436.tar.gz` size: 324 MiB (340106144 bytes) entries: 11518 modules under 2023.06/software/linux/aarch64/generic/modules/all `archspec/0.2.2-GCCcore-13.2.0.lua` `FFmpeg/6.0-GCCcore-13.2.0.lua` `ffnvcodec/12.1.14.0.lua` `kim-api/2.3.0-GCC-13.2.0.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` `Voro++/0.4.6-GCCcore-13.2.0.lua` `VTK/9.3.0-foss-2023b.lua` `x264/20231019-GCCcore-13.2.0.lua` `x265/3.5-GCCcore-13.2.0.lua` software under 2023.06/software/linux/aarch64/generic/software `archspec/0.2.2-GCCcore-13.2.0` `FFmpeg/6.0-GCCcore-13.2.0` `ffnvcodec/12.1.14.0` `kim-api/2.3.0-GCC-13.2.0` `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` `Voro++/0.4.6-GCCcore-13.2.0` `VTK/9.3.0-foss-2023b` `x264/20231019-GCCcore-13.2.0` `x265/3.5-GCCcore-13.2.0` other under 2023.06/software/linux/aarch64/generic `2023.06/init/easybuild/eb_hooks.py`
Sep 19 12:32:49 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 10/10 test case(s) from 10 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-19117.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

eessi-bot · 2024-09-19T11:21:36Z

New job on instance eessi-bot-mc-aws for CPU micro-architecture aarch64-neoverse_n1 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_725/19118

date	job status	comment
Sep 19 11:21:35 UTC 2024	submitted	job id `19118` awaits release by job manager
Sep 19 11:22:31 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 19 11:27:37 UTC 2024	running	job `19118` is running
Sep 19 12:30:46 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-19118.out` ✅ 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-neoverse_n1-1726748308.tar.gz` size: 324 MiB (340295178 bytes) entries: 11518 modules under 2023.06/software/linux/aarch64/neoverse_n1/modules/all `archspec/0.2.2-GCCcore-13.2.0.lua` `FFmpeg/6.0-GCCcore-13.2.0.lua` `ffnvcodec/12.1.14.0.lua` `kim-api/2.3.0-GCC-13.2.0.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` `Voro++/0.4.6-GCCcore-13.2.0.lua` `VTK/9.3.0-foss-2023b.lua` `x264/20231019-GCCcore-13.2.0.lua` `x265/3.5-GCCcore-13.2.0.lua` software under 2023.06/software/linux/aarch64/neoverse_n1/software `archspec/0.2.2-GCCcore-13.2.0` `FFmpeg/6.0-GCCcore-13.2.0` `ffnvcodec/12.1.14.0` `kim-api/2.3.0-GCC-13.2.0` `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` `Voro++/0.4.6-GCCcore-13.2.0` `VTK/9.3.0-foss-2023b` `x264/20231019-GCCcore-13.2.0` `x265/3.5-GCCcore-13.2.0` other under 2023.06/software/linux/aarch64/neoverse_n1 `2023.06/init/easybuild/eb_hooks.py`
Sep 19 12:30:46 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 10/10 test case(s) from 10 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-19118.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

{2023}

3d43781

laraPPr added the 2023.06-software.eessi.io 2023.06 version of software.eessi.io label Sep 19, 2024

laraPPr mentioned this pull request Sep 19, 2024

{chem}[foss/2023b] LAMMPS v29Aug2024, MDI v1.4.29, PLUMED v2.9.2, ... w/ kokkos easybuilders/easybuild-easyconfigs#21436

Open

update hook for v29Aug2024

8adaaaf

laraPPr commented Sep 19, 2024

View reviewed changes

update missing installations hook

09bfb97

boegel requested changes Sep 19, 2024

View reviewed changes

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{2023.06}[foss/2023b] LAMMPS 29Aug2024 #725

{2023.06}[foss/2023b] LAMMPS 29Aug2024 #725

laraPPr commented Sep 19, 2024

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laraPPr Sep 19, 2024

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laraPPr commented Sep 19, 2024

laraPPr commented Sep 19, 2024

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{2023.06}[foss/2023b] LAMMPS 29Aug2024 #725

Are you sure you want to change the base?

{2023.06}[foss/2023b] LAMMPS 29Aug2024 #725

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