{2023.06}[foss/2023b] GROMACS 2024.1 by boegel · Pull Request #499 · EESSI/software-layer

boegel · 2024-03-13T10:29:24Z

No description provided.

boegel · 2024-03-13T10:29:38Z

bot: build repo:eessi.io-2023.06-software arch:x86_64/amd/zen3

eessi-bot · 2024-03-13T10:29:41Z

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/amd/zen3 from boegel
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3
handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3 resulted in:
- submitted job 8060, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)

eessi-bot · 2024-03-13T10:37:45Z

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/generic from boegel
- 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/intel/haswell from boegel
- 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 boegel
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/intel/skylake_avx512
received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen2 from boegel
- 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:aarch64/generic from boegel
- 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 boegel
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_n1
received bot command build repo:eessi.io-2023.06-software arch:aarch64/neoverse_v1 from boegel
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_v1
handling command build repository:eessi.io-2023.06-software architecture:x86_64/generic resulted in:
- submitted job 8061, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)
handling command build repository:eessi.io-2023.06-software architecture:x86_64/intel/haswell resulted in:
- submitted job 8062, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)
handling command build repository:eessi.io-2023.06-software architecture:x86_64/intel/skylake_avx512 resulted in:
- submitted job 8063, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)
handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2 resulted in:
- submitted job 8064, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)
handling command build repository:eessi.io-2023.06-software architecture:aarch64/generic resulted in:
- submitted job 8065, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)
handling command build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_n1 resulted in:
- submitted job 8066, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)
handling command build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_v1 resulted in:
- submitted job 8067, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)

…io_GROMACS-2024.1

ocaisa · 2024-03-13T14:24:00Z

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

eessi-bot · 2024-03-13T14:24:03Z

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 ocaisa
- 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 8071, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)

ocaisa · 2024-03-13T14:54:27Z

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

eessi-bot · 2024-03-13T14:54:30Z

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 ocaisa
- 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 8073, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)

…io_GROMACS-2024.1

eessi-bot · 2024-03-13T15:04:12Z

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/generic from boegel
- 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/intel/skylake_avx512 from boegel
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/intel/skylake_avx512
received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen2 from boegel
- 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 boegel
- 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:aarch64/generic from boegel
- 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 boegel
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_n1
handling command build repository:eessi.io-2023.06-software architecture:x86_64/generic resulted in:
- submitted job 8074, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)
handling command build repository:eessi.io-2023.06-software architecture:x86_64/intel/skylake_avx512 resulted in:
- submitted job 8075, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)
handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2 resulted in:
- submitted job 8076, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)
handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3 resulted in:
- submitted job 8077, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)
handling command build repository:eessi.io-2023.06-software architecture:aarch64/generic resulted in:
- submitted job 8078, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)
handling command build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_n1 resulted in:
- submitted job 8079, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)

eessi-bot · 2024-04-30T20:28:20Z

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 boegel
- 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 · 2024-04-30T20:28:23Z

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/2024.04/pr_499/10042

date	job status	comment
Apr 30 20:28:23 UTC 2024	submitted	job id `10042` awaits release by job manager
Apr 30 20:28:48 UTC 2024	released	job awaits launch by Slurm scheduler
Apr 30 20:30:07 UTC 2024	running	job `10042` is running
Apr 30 21:15:12 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-10042.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_v1-1714511295.tar.gz` size: 48 MiB (51083422 bytes) entries: 2131 modules under 2023.06/software/linux/aarch64/neoverse_v1/modules/all `GROMACS/2024.1-foss-2023b.lua` `mpi4py/3.1.5-gompi-2023b.lua` `networkx/3.2.1-gfbf-2023b.lua` software under 2023.06/software/linux/aarch64/neoverse_v1/software `GROMACS/2024.1-foss-2023b` `mpi4py/3.1.5-gompi-2023b` `networkx/3.2.1-gfbf-2023b` other under 2023.06/software/linux/aarch64/neoverse_v1 no other files in tarball
Apr 30 21:15:12 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 9/9 test case(s) from 9 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-10042.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
May 01 07:37:14 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-aarch64-neoverse_v1-1714511295.tar.gz` to S3 bucket succeeded

boegel · 2024-04-30T21:08:39Z

3rd time is a charm for x86_64/generic, and aarch64/neoverse_v1 should pass too now that we're using -DGMX_SIMD=ARM_NEON_ASIMD there for GROMACS <= 2024.1

The last neoverse_v1 build (job 10032) failed seemingly due to interference of the manual ingestion of the rebuilds for #546

bedroge · 2024-04-30T21:23:53Z

bot: status

eessi-bot · 2024-04-30T21:23:56Z

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

received bot command status from bedroge
- expanded format: status
handling command status resulted in:

eessi-bot · 2024-04-30T21:23:56Z

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

received bot command status from bedroge
- expanded format: status

ocaisa · 2024-05-01T05:59:03Z

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

eessi-bot · 2024-05-01T05:59:06Z

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 ocaisa
- 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 ocaisa
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/intel/skylake_avx512
received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen2 from ocaisa
- 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 ocaisa
- 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:aarch64/generic from ocaisa
- 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 ocaisa
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_n1
handling command build repository:eessi.io-2023.06-software architecture:x86_64/intel/haswell resulted in:
- submitted job 10067, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)
handling command build repository:eessi.io-2023.06-software architecture:x86_64/intel/skylake_avx512 resulted in:
- submitted job 10068, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)
handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2 resulted in:
- submitted job 10069, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)
handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3 resulted in:
- submitted job 10070, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)
handling command build repository:eessi.io-2023.06-software architecture:aarch64/generic resulted in:
- submitted job 10071, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)
handling command build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_n1 resulted in:
- submitted job 10072, for details & status see {2023.06}[foss/2023b] GROMACS 2024.1 #499 (comment)

eessi-bot · 2024-05-01T05:59:06Z

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 ocaisa
- 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 ocaisa
- expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/intel/skylake_avx512
received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen2 from ocaisa
- 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 ocaisa
- 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:aarch64/generic from ocaisa
- 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 ocaisa
- expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/neoverse_n1
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
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: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 · 2024-05-01T05:59:10Z

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/2024.05/pr_499/10067

date	job status	comment
May 01 05:59:09 UTC 2024	submitted	job id `10067` awaits release by job manager
May 01 06:00:25 UTC 2024	released	job awaits launch by Slurm scheduler
May 01 06:07:58 UTC 2024	running	job `10067` is running
May 01 07:12:23 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-10067.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-1714546633.tar.gz` size: 54 MiB (56738451 bytes) entries: 2131 modules under 2023.06/software/linux/x86_64/intel/haswell/modules/all `GROMACS/2024.1-foss-2023b.lua` `mpi4py/3.1.5-gompi-2023b.lua` `networkx/3.2.1-gfbf-2023b.lua` software under 2023.06/software/linux/x86_64/intel/haswell/software `GROMACS/2024.1-foss-2023b` `mpi4py/3.1.5-gompi-2023b` `networkx/3.2.1-gfbf-2023b` other under 2023.06/software/linux/x86_64/intel/haswell no other files in tarball
May 01 07:12:23 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 9/9 test case(s) from 9 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-10067.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
May 01 07:35:12 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-intel-haswell-1714546633.tar.gz` to S3 bucket succeeded

eessi-bot · 2024-05-01T05:59:14Z

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/2024.05/pr_499/10068

date	job status	comment
May 01 05:59:13 UTC 2024	submitted	job id `10068` awaits release by job manager
May 01 06:00:28 UTC 2024	released	job awaits launch by Slurm scheduler
May 01 06:08:01 UTC 2024	running	job `10068` is running
May 01 07:03:49 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-10068.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_avx512-1714546206.tar.gz` size: 53 MiB (56070529 bytes) entries: 2131 modules under 2023.06/software/linux/x86_64/intel/skylake_avx512/modules/all `GROMACS/2024.1-foss-2023b.lua` `mpi4py/3.1.5-gompi-2023b.lua` `networkx/3.2.1-gfbf-2023b.lua` software under 2023.06/software/linux/x86_64/intel/skylake_avx512/software `GROMACS/2024.1-foss-2023b` `mpi4py/3.1.5-gompi-2023b` `networkx/3.2.1-gfbf-2023b` other under 2023.06/software/linux/x86_64/intel/skylake_avx512 no other files in tarball
May 01 07:03:49 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 9/9 test case(s) from 9 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-10068.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
May 01 07:35:32 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-intel-skylake_avx512-1714546206.tar.gz` to S3 bucket succeeded

eessi-bot · 2024-05-01T05:59:19Z

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/2024.05/pr_499/10069

date	job status	comment
May 01 05:59:18 UTC 2024	submitted	job id `10069` awaits release by job manager
May 01 06:00:18 UTC 2024	released	job awaits launch by Slurm scheduler
May 01 06:06:42 UTC 2024	running	job `10069` is running
May 01 07:12:21 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-10069.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-zen2-1714546429.tar.gz` size: 54 MiB (56702450 bytes) entries: 2131 modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all `GROMACS/2024.1-foss-2023b.lua` `mpi4py/3.1.5-gompi-2023b.lua` `networkx/3.2.1-gfbf-2023b.lua` software under 2023.06/software/linux/x86_64/amd/zen2/software `GROMACS/2024.1-foss-2023b` `mpi4py/3.1.5-gompi-2023b` `networkx/3.2.1-gfbf-2023b` other under 2023.06/software/linux/x86_64/amd/zen2 no other files in tarball
May 01 07:12:21 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 9/9 test case(s) from 9 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-10069.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
May 01 07:35:53 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-amd-zen2-1714546429.tar.gz` to S3 bucket succeeded

eessi-bot · 2024-05-01T05:59:22Z

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/2024.05/pr_499/10070

date	job status	comment
May 01 05:59:21 UTC 2024	submitted	job id `10070` awaits release by job manager
May 01 06:00:22 UTC 2024	released	job awaits launch by Slurm scheduler
May 01 06:06:45 UTC 2024	running	job `10070` is running
May 01 06:58:06 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-10070.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-zen3-1714545970.tar.gz` size: 54 MiB (56721147 bytes) entries: 2131 modules under 2023.06/software/linux/x86_64/amd/zen3/modules/all `GROMACS/2024.1-foss-2023b.lua` `mpi4py/3.1.5-gompi-2023b.lua` `networkx/3.2.1-gfbf-2023b.lua` software under 2023.06/software/linux/x86_64/amd/zen3/software `GROMACS/2024.1-foss-2023b` `mpi4py/3.1.5-gompi-2023b` `networkx/3.2.1-gfbf-2023b` other under 2023.06/software/linux/x86_64/amd/zen3 no other files in tarball
May 01 06:58:06 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 9/9 test case(s) from 9 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-10070.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
May 01 07:36:13 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-amd-zen3-1714545970.tar.gz` to S3 bucket succeeded

eessi-bot · 2024-05-01T05:59:26Z

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/2024.05/pr_499/10071

date	job status	comment
May 01 05:59:25 UTC 2024	submitted	job id `10071` awaits release by job manager
May 01 06:00:12 UTC 2024	released	job awaits launch by Slurm scheduler
May 01 06:05:31 UTC 2024	running	job `10071` is running
May 01 07:00:28 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-10071.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-1714546217.tar.gz` size: 43 MiB (46001813 bytes) entries: 2131 modules under 2023.06/software/linux/aarch64/generic/modules/all `GROMACS/2024.1-foss-2023b.lua` `mpi4py/3.1.5-gompi-2023b.lua` `networkx/3.2.1-gfbf-2023b.lua` software under 2023.06/software/linux/aarch64/generic/software `GROMACS/2024.1-foss-2023b` `mpi4py/3.1.5-gompi-2023b` `networkx/3.2.1-gfbf-2023b` other under 2023.06/software/linux/aarch64/generic no other files in tarball
May 01 07:00:28 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 9/9 test case(s) from 9 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-10071.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
May 01 07:36:33 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-aarch64-generic-1714546217.tar.gz` to S3 bucket succeeded

eessi-bot · 2024-05-01T05:59:30Z

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/2024.05/pr_499/10072

date	job status	comment
May 01 05:59:29 UTC 2024	submitted	job id `10072` awaits release by job manager
May 01 06:00:15 UTC 2024	released	job awaits launch by Slurm scheduler
May 01 06:05:34 UTC 2024	running	job `10072` is running
May 01 07:01:36 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-10072.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_n1-1714546270.tar.gz` size: 48 MiB (51324071 bytes) entries: 2131 modules under 2023.06/software/linux/aarch64/neoverse_n1/modules/all `GROMACS/2024.1-foss-2023b.lua` `mpi4py/3.1.5-gompi-2023b.lua` `networkx/3.2.1-gfbf-2023b.lua` software under 2023.06/software/linux/aarch64/neoverse_n1/software `GROMACS/2024.1-foss-2023b` `mpi4py/3.1.5-gompi-2023b` `networkx/3.2.1-gfbf-2023b` other under 2023.06/software/linux/aarch64/neoverse_n1 no other files in tarball
May 01 07:01:36 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 9/9 test case(s) from 9 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-10072.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
May 01 07:36:54 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-aarch64-neoverse_n1-1714546270.tar.gz` to S3 bucket succeeded

boegel · 2024-05-01T07:29:17Z

@ocaisa @bedroge Ready to deploy! 🥳

eb_hooks.py

{2023.06}[foss/2023b] GROMACS 2024.1

743860f

boegel added the 2023.06-software.eessi.io 2023.06 version of software.eessi.io label Mar 13, 2024

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Merge branch '2023.06-software.eessi.io' into 2023.06-software.eessi.…

f58d4dd

…io_GROMACS-2024.1

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Merge branch '2023.06-software.eessi.io' into 2023.06-software.eessi.…

f7c5fdf

…io_GROMACS-2024.1

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boegel mentioned this pull request May 1, 2024

{2023.06}[foss/2023a] GROMACS v2023.3 #401

Closed

boegel added the ready-to-deploy Mark a PR as ready to deploy label May 1, 2024

bedroge 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 May 1, 2024

bedroge reviewed May 1, 2024

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boegel mentioned this pull request May 1, 2024

avoiding SVE instructions for GROMACS <= 2024.1 on Neoverse V1 #557

Open

register known issue for GROMACS 2024.1 on neoverse_v1

3eee364

bedroge approved these changes May 1, 2024

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ocaisa approved these changes May 1, 2024

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bedroge merged commit 721f446 into EESSI:2023.06-software.eessi.io May 1, 2024

boegel deleted the 2023.06-software.eessi.io_GROMACS-2024.1 branch May 1, 2024 09:19

TopRichard mentioned this pull request May 2, 2024

{2023.06}[foss/2023b] GROMACS V2024.1 NorESSI/software-layer#291

Merged

bedroge mentioned this pull request Nov 27, 2025

{2023.06}[2023b] Rebuild GROMACS 2024.1 + 2024.3 + 2024.4 #1316

Merged

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