{2023.06}[foss/2023b] GROMACS 2024.3 by bedroge · Pull Request #709 · EESSI/software-layer

bedroge · 2024-09-17T13:50:23Z

No description provided.

eessi-bot · 2024-09-17T13:50:26Z

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-hpc.org-2023.06-compat, eessi-hpc.org-2023.06-software, eessi.io-2023.06-software, eessi.io-2023.06-compat

eessi-build-deploy-bot-deucalion · 2024-09-17T13:50:26Z

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

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

eessi-bot · 2024-09-17T13:50:27Z

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

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

bedroge · 2024-09-17T13:50:43Z

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

eessi-bot · 2024-09-17T13:50:46Z

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 bedroge
- 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 18866, for details & status see {2023.06}[foss/2023b] GROMACS 2024.3 #709 (comment)

eessi-build-deploy-bot-deucalion · 2024-09-17T13:50:46Z

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

account bedroge has NO permission to send commands to the bot

eessi-bot · 2024-09-17T13:50:46Z

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 bedroge
- 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 · 2024-09-17T13:50:51Z

New job on instance eessi-bot-mc-aws for architecture aarch64-neoverse_v1 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_709/18866

date	job status	comment
Sep 17 13:50:50 UTC 2024	submitted	job id `18866` awaits release by job manager
Sep 17 13:51:35 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 17 14:14:11 UTC 2024	running	job `18866` is running
Sep 17 15:01:41 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-18866.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_v1-1726584796.tar.gz` size: 44 MiB (47047816 bytes) entries: 769 modules under 2023.06/software/linux/aarch64/neoverse_v1/modules/all `GROMACS/2024.3-foss-2023b.lua` software under 2023.06/software/linux/aarch64/neoverse_v1/software `GROMACS/2024.3-foss-2023b` other under 2023.06/software/linux/aarch64/neoverse_v1 no other files in tarball
Sep 17 15:01:41 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 11/11 test case(s) from 11 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-18866.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Oct 04 15:15:17 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-aarch64-neoverse_v1-1726584796.tar.gz` to S3 bucket succeeded

bedroge · 2024-09-17T14:19:11Z

bot: build repo:eessi.io-2023.06-software arch:aarch64/generic
bot: build repo:eessi.io-2023.06-software arch:aarch64/neoverse_n1
bot: build repo:eessi.io-2023.06-software arch:x86_64/generic
bot: build repo:eessi.io-2023.06-software arch:x86_64/amd/zen2
bot: build repo:eessi.io-2023.06-software arch:x86_64/amd/zen3
bot: build repo:eessi.io-2023.06-software arch:x86_64/amd/zen4
bot: build repo:eessi.io-2023.06-software arch:x86_64/intel/haswell
bot: build repo:eessi.io-2023.06-software arch:x86_64/intel/skylake_avx512

eessi-bot · 2024-09-17T14:19:14Z

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 bedroge
- 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 bedroge
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_n1
received bot command build repo:eessi.io-2023.06-software arch:x86_64/generic from bedroge
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/generic
received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen2 from bedroge
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2
received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen3 from bedroge
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3
received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen4 from bedroge
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen4
received bot command build repo:eessi.io-2023.06-software arch:x86_64/intel/haswell from bedroge
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/intel/haswell
received bot command build repo:eessi.io-2023.06-software arch:x86_64/intel/skylake_avx512 from bedroge
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/intel/skylake_avx512
handling command build repository:eessi.io-2023.06-software architecture:aarch64/generic resulted in:
- submitted job 18868, for details & status see {2023.06}[foss/2023b] GROMACS 2024.3 #709 (comment)
handling command build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_n1 resulted in:
- submitted job 18869, for details & status see {2023.06}[foss/2023b] GROMACS 2024.3 #709 (comment)
handling command build repository:eessi.io-2023.06-software architecture:x86_64/generic resulted in:
- submitted job 18870, for details & status see {2023.06}[foss/2023b] GROMACS 2024.3 #709 (comment)
handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2 resulted in:
- submitted job 18871, for details & status see {2023.06}[foss/2023b] GROMACS 2024.3 #709 (comment)
handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3 resulted in:
- submitted job 18872, for details & status see {2023.06}[foss/2023b] GROMACS 2024.3 #709 (comment)
handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen4 resulted in:
- no jobs were submitted
handling command build repository:eessi.io-2023.06-software architecture:x86_64/intel/haswell resulted in:
- submitted job 18873, for details & status see {2023.06}[foss/2023b] GROMACS 2024.3 #709 (comment)
handling command build repository:eessi.io-2023.06-software architecture:x86_64/intel/skylake_avx512 resulted in:
- submitted job 18874, for details & status see {2023.06}[foss/2023b] GROMACS 2024.3 #709 (comment)

eessi-build-deploy-bot-deucalion · 2024-09-17T14:19:15Z

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

account bedroge has NO permission to send commands to the bot

eessi-bot · 2024-09-17T14:19:15Z

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 bedroge
- 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 bedroge
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_n1
received bot command build repo:eessi.io-2023.06-software arch:x86_64/generic from bedroge
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/generic
received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen2 from bedroge
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2
received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen3 from bedroge
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3
received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen4 from bedroge
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen4
received bot command build repo:eessi.io-2023.06-software arch:x86_64/intel/haswell from bedroge
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/intel/haswell
received bot command build repo:eessi.io-2023.06-software arch:x86_64/intel/skylake_avx512 from bedroge
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/intel/skylake_avx512
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
handling command build repository:eessi.io-2023.06-software architecture:x86_64/generic resulted in:
- no jobs were submitted
handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2 resulted in:
- no jobs were submitted
handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3 resulted in:
- no jobs were submitted
handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen4 resulted in:
- submitted job 754, for details & status see {2023.06}[foss/2023b] GROMACS 2024.3 #709 (comment)
handling command build repository:eessi.io-2023.06-software architecture:x86_64/intel/haswell resulted in:
- no jobs were submitted
handling command build repository:eessi.io-2023.06-software architecture:x86_64/intel/skylake_avx512 resulted in:
- no jobs were submitted

eessi-bot · 2024-09-17T14:19:19Z

New job on instance eessi-bot-mc-aws for architecture aarch64-generic for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_709/18868

date	job status	comment
Sep 17 14:19:18 UTC 2024	submitted	job id `18868` awaits release by job manager
Sep 17 14:19:28 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 17 14:20:42 UTC 2024	running	job `18868` is running
Sep 17 15:35:40 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-18868.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-1726585430.tar.gz` size: 37 MiB (39066981 bytes) entries: 769 modules under 2023.06/software/linux/aarch64/generic/modules/all `GROMACS/2024.3-foss-2023b.lua` software under 2023.06/software/linux/aarch64/generic/software `GROMACS/2024.3-foss-2023b` other under 2023.06/software/linux/aarch64/generic no other files in tarball
Sep 17 15:35:40 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 11/11 test case(s) from 11 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-18868.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Oct 04 15:15:37 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-aarch64-generic-1726585430.tar.gz` to S3 bucket succeeded

eessi-bot · 2024-09-17T14:19:23Z

New job on instance eessi-bot-mc-aws for architecture aarch64-neoverse_n1 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_709/18869

date	job status	comment
Sep 17 14:19:22 UTC 2024	submitted	job id `18869` awaits release by job manager
Sep 17 14:19:30 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 17 14:20:44 UTC 2024	running	job `18869` is running
Sep 17 15:15:58 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-18869.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_n1-1726585510.tar.gz` size: 42 MiB (44667242 bytes) entries: 769 modules under 2023.06/software/linux/aarch64/neoverse_n1/modules/all `GROMACS/2024.3-foss-2023b.lua` software under 2023.06/software/linux/aarch64/neoverse_n1/software `GROMACS/2024.3-foss-2023b` other under 2023.06/software/linux/aarch64/neoverse_n1 no other files in tarball
Sep 17 15:15:58 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 11/11 test case(s) from 11 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-18869.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Oct 04 15:15:58 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-aarch64-neoverse_n1-1726585510.tar.gz` to S3 bucket succeeded

eessi-bot · 2024-09-17T14:19:24Z

New job on instance eessi-bot-mc-azure for architecture x86_64-amd-zen4 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_709/754

date	job status	comment
Sep 17 14:19:23 UTC 2024	submitted	job id `754` awaits release by job manager
Sep 17 14:19:55 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 17 14:20:58 UTC 2024	running	job `754` is running
Sep 17 14:54:45 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-754.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-x86_64-amd-zen4-1726584566.tar.gz` size: 47 MiB (49482145 bytes) entries: 769 modules under 2023.06/software/linux/x86_64/amd/zen4/modules/all `GROMACS/2024.3-foss-2023b.lua` software under 2023.06/software/linux/x86_64/amd/zen4/software `GROMACS/2024.3-foss-2023b` other under 2023.06/software/linux/x86_64/amd/zen4 no other files in tarball
Sep 17 14:54:45 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 6/6 test case(s) from 6 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-754.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Oct 04 15:15:18 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-amd-zen4-1726584566.tar.gz` to S3 bucket succeeded

eessi-bot · 2024-09-17T14:19:27Z

New job on instance eessi-bot-mc-aws for architecture x86_64-generic for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_709/18870

date	job status	comment
Sep 17 14:19:26 UTC 2024	submitted	job id `18870` awaits release by job manager
Sep 17 14:19:32 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 17 14:20:47 UTC 2024	running	job `18870` is running
Sep 17 15:12:44 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-18870.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-x86_64-generic-1726585210.tar.gz` size: 45 MiB (47250204 bytes) entries: 769 modules under 2023.06/software/linux/x86_64/generic/modules/all `GROMACS/2024.3-foss-2023b.lua` software under 2023.06/software/linux/x86_64/generic/software `GROMACS/2024.3-foss-2023b` other under 2023.06/software/linux/x86_64/generic no other files in tarball
Sep 17 15:12:44 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 11/11 test case(s) from 11 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-18870.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Oct 04 15:16:18 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-generic-1726585210.tar.gz` to S3 bucket succeeded

eessi-bot · 2024-09-17T14:19:31Z

New job on instance eessi-bot-mc-aws for architecture x86_64-amd-zen2 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_709/18871

date	job status	comment
Sep 17 14:19:30 UTC 2024	submitted	job id `18871` awaits release by job manager
Sep 17 14:20:34 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 17 14:21:52 UTC 2024	running	job `18871` is running
Sep 17 15:17:01 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-18871.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-x86_64-amd-zen2-1726585690.tar.gz` size: 47 MiB (50080629 bytes) entries: 769 modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all `GROMACS/2024.3-foss-2023b.lua` software under 2023.06/software/linux/x86_64/amd/zen2/software `GROMACS/2024.3-foss-2023b` other under 2023.06/software/linux/x86_64/amd/zen2 no other files in tarball
Sep 17 15:17:01 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 11/11 test case(s) from 11 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-18871.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Oct 04 15:16:38 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-amd-zen2-1726585690.tar.gz` to S3 bucket succeeded

eessi-bot · 2024-09-17T14:19:35Z

New job on instance eessi-bot-mc-aws for architecture x86_64-amd-zen3 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_709/18872

date	job status	comment
Sep 17 14:19:34 UTC 2024	submitted	job id `18872` awaits release by job manager
Sep 17 14:20:37 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 17 14:21:54 UTC 2024	running	job `18872` is running
Sep 17 15:07:15 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-18872.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-x86_64-amd-zen3-1726585162.tar.gz` size: 47 MiB (50093290 bytes) entries: 769 modules under 2023.06/software/linux/x86_64/amd/zen3/modules/all `GROMACS/2024.3-foss-2023b.lua` software under 2023.06/software/linux/x86_64/amd/zen3/software `GROMACS/2024.3-foss-2023b` other under 2023.06/software/linux/x86_64/amd/zen3 no other files in tarball
Sep 17 15:07:15 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 11/11 test case(s) from 11 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-18872.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Oct 04 15:16:59 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-amd-zen3-1726585162.tar.gz` to S3 bucket succeeded

eessi-bot · 2024-09-17T14:19:43Z

New job on instance eessi-bot-mc-aws for architecture x86_64-intel-haswell for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_709/18873

date	job status	comment
Sep 17 14:19:42 UTC 2024	submitted	job id `18873` awaits release by job manager
Sep 17 14:20:38 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 17 14:21:57 UTC 2024	running	job `18873` is running
Sep 17 15:03:56 UTC 2024	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-18873.out` ❌ found message matching `ERROR:` ❌ found message matching `FAILED:` ❌ found message matching `required modules missing:` ❌ no message matching `No missing installations` ✅ found message matching `.tar.gz created!` Artefacts Details No artefacts were created or found.
Sep 17 15:03:56 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-18873.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

eessi-bot · 2024-09-17T14:19:47Z

New job on instance eessi-bot-mc-aws for architecture x86_64-intel-skylake_avx512 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_709/18874

date	job status	comment
Sep 17 14:19:46 UTC 2024	submitted	job id `18874` awaits release by job manager
Sep 17 14:20:40 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 17 14:21:59 UTC 2024	running	job `18874` is running
Sep 17 15:08:20 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-18874.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-x86_64-intel-skylake_avx512-1726585229.tar.gz` size: 47 MiB (49427794 bytes) entries: 769 modules under 2023.06/software/linux/x86_64/intel/skylake_avx512/modules/all `GROMACS/2024.3-foss-2023b.lua` software under 2023.06/software/linux/x86_64/intel/skylake_avx512/software `GROMACS/2024.3-foss-2023b` other under 2023.06/software/linux/x86_64/intel/skylake_avx512 no other files in tarball
Sep 17 15:08:20 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 11/11 test case(s) from 11 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-18874.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Oct 04 15:17:19 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-intel-skylake_avx512-1726585229.tar.gz` to S3 bucket succeeded

bedroge · 2024-09-17T15:09:13Z

New job on instance eessi-bot-mc-aws for architecture x86_64-intel-haswell for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_709/18873

date job status comment
Sep 17 14:19:42 UTC 2024 submitted job id 18873 awaits release by job manager
Sep 17 14:20:38 UTC 2024 released job awaits launch by Slurm scheduler
Sep 17 14:21:57 UTC 2024 running job 18873 is running
Sep 17 15:03:56 UTC 2024 finished
😢 FAILURE (click triangle for details)
Sep 17 15:03:56 UTC 2024 test result
😢 FAILURE (click triangle for details)

File input/output error:
/tmp/bot/easybuild/build/GROMACS/2024.3/foss-2023b/easybuild_obj/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerChainedMD.trr

Same error as we've seen before, and also the same as I just saw on the EB test cluster (easybuilders/easybuild-easyconfigs#21430 (comment)). It doesn't happen consistently, so let's try again...

bot: build repo:eessi.io-2023.06-software arch:x86_64/intel/haswell

eessi-bot · 2024-09-17T15:09:15Z

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

received bot command build repo:eessi.io-2023.06-software arch:x86_64/intel/haswell from bedroge
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/intel/haswell
handling command build repository:eessi.io-2023.06-software architecture:x86_64/intel/haswell resulted in:
- submitted job 18878, for details & status see {2023.06}[foss/2023b] GROMACS 2024.3 #709 (comment)

eessi-build-deploy-bot-deucalion · 2024-09-17T15:09:16Z

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

account bedroge has NO permission to send commands to the bot

eessi-bot · 2024-09-17T15:09:16Z

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

received bot command build repo:eessi.io-2023.06-software arch:x86_64/intel/haswell from bedroge
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/intel/haswell
handling command build repository:eessi.io-2023.06-software architecture:x86_64/intel/haswell resulted in:
- no jobs were submitted

eessi-bot · 2024-09-17T15:09:20Z

New job on instance eessi-bot-mc-aws for architecture x86_64-intel-haswell for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_709/18878

date	job status	comment
Sep 17 15:09:19 UTC 2024	submitted	job id `18878` awaits release by job manager
Sep 17 15:09:23 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 17 15:10:33 UTC 2024	running	job `18878` is running
Sep 17 16:01:09 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-18878.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-x86_64-intel-haswell-1726588339.tar.gz` size: 47 MiB (50087482 bytes) entries: 769 modules under 2023.06/software/linux/x86_64/intel/haswell/modules/all `GROMACS/2024.3-foss-2023b.lua` software under 2023.06/software/linux/x86_64/intel/haswell/software `GROMACS/2024.3-foss-2023b` other under 2023.06/software/linux/x86_64/intel/haswell no other files in tarball
Sep 17 16:01:09 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 11/11 test case(s) from 11 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-18878.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Oct 04 15:17:39 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-intel-haswell-1726588339.tar.gz` to S3 bucket succeeded

boegel · 2024-09-17T15:46:08Z

New job on instance eessi-bot-mc-aws for architecture x86_64-intel-haswell for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.09/pr_709/18873
date job status comment
Sep 17 14:19:42 UTC 2024 submitted job id 18873 awaits release by job manager
Sep 17 14:20:38 UTC 2024 released job awaits launch by Slurm scheduler
Sep 17 14:21:57 UTC 2024 running job 18873 is running
Sep 17 15:03:56 UTC 2024 finished
😢 FAILURE (click triangle for details)
Sep 17 15:03:56 UTC 2024 test result
😢 FAILURE (click triangle for details)
File input/output error:
/tmp/bot/easybuild/build/GROMACS/2024.3/foss-2023b/easybuild_obj/api/gmxapi/cpp/tests/Testing/Temporary/GmxApiTest_RunnerChainedMD.trr
Same error as we've seen before, and also the same as I just saw on the EB test cluster (easybuilders/easybuild-easyconfigs#21430 (comment)). It doesn't happen consistently, so let's try again...

bot: build repo:eessi.io-2023.06-software arch:x86_64/intel/haswell

see also https://gitlab.com/eessi/support/-/issues/47#note_1763083132, looks like there's still a problem that hasn't been resolved by https://gitlab.com/gromacs/gromacs/-/merge_requests/4066 then?

bedroge · 2024-09-17T16:53:08Z

see also https://gitlab.com/eessi/support/-/issues/47#note_1763083132, looks like there's still a problem that hasn't been resolved by https://gitlab.com/gromacs/gromacs/-/merge_requests/4066 then?

Looks like it, yeah. Though it's strange that it only seems to happen on haswell (?)), and it's almost like every second attempt does work 🤯😅

boegel · 2024-09-17T17:43:37Z

see also https://gitlab.com/eessi/support/-/issues/47#note_1763083132, looks like there's still a problem that hasn't been resolved by https://gitlab.com/gromacs/gromacs/-/merge_requests/4066 then?

Looks like it, yeah. Though it's strange that it only seems to happen on haswell (?)), and it's almost like every second attempt does work 🤯😅

Could be more likely to happen on slower CPUs, perhaps? 2nd attempt is just sheer luck

boegel

lgtm

eessi-bot · 2024-10-04T16:50:56Z

PR merged! Moved ['/project/def-users/SHARED/jobs/2024.09/pr_709/18866', '/project/def-users/SHARED/jobs/2024.09/pr_709/18868', '/project/def-users/SHARED/jobs/2024.09/pr_709/18869', '/project/def-users/SHARED/jobs/2024.09/pr_709/18870', '/project/def-users/SHARED/jobs/2024.09/pr_709/18871', '/project/def-users/SHARED/jobs/2024.09/pr_709/18872', '/project/def-users/SHARED/jobs/2024.09/pr_709/18873', '/project/def-users/SHARED/jobs/2024.09/pr_709/18874', '/project/def-users/SHARED/jobs/2024.09/pr_709/18878'] to /project/def-users/SHARED/trash_bin/EESSI/software-layer/2024.10.04

eessi-build-deploy-bot-deucalion · 2024-10-04T16:50:56Z

PR merged! Moved [] to $HOME/trash_bin/EESSI/software-layer/2024.10.04

eessi-bot · 2024-10-04T16:50:56Z

PR merged! Moved ['/project/def-users/SHARED/jobs/2024.09/pr_709/754'] to /project/def-users/SHARED/trash_bin/EESSI/software-layer/2024.10.04

add GROMACS 2024.3

e6760db

bedroge mentioned this pull request Sep 17, 2024

{bio}[foss/2023b] GROMACS v2024.3 easybuilders/easybuild-easyconfigs#21430

Merged

bedroge added the 2023.06-software.eessi.io 2023.06 version of software.eessi.io label Sep 17, 2024

Merge branch '2023.06-software.eessi.io' into gromacs_2024.3

6849058

boegel added the bot:deploy Ask bot to deploy missing software installations to EESSI label Oct 4, 2024

boegel approved these changes Oct 4, 2024

View reviewed changes

boegel merged commit e3216a6 into EESSI:2023.06-software.eessi.io Oct 4, 2024

bedroge deleted the gromacs_2024.3 branch October 4, 2024 16:54

bedroge mentioned this pull request Sep 12, 2025

Rebuild GROMACS for cuda sanity check #1166

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