{2025.06}[foss/2025b] OpenMM 8.5.2 by jpecar · Pull Request #1604 · EESSI/software-layer

jpecar · 2026-09-02T09:08:40Z

OpenMM

bedroge · 2026-09-02T09:09:52Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen2
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-deucalion for:arch=aarch64/a64fx
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-jsc for:arch=aarch64/nvidia/grace

eessi-bot-aws · 2026-09-02T09:10:00Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2025.06-software
Building on: amd-zen2
Building for: x86_64/amd/zen2
Job dir: /project/def-users/SHARED/jobs/2026.09/pr_1604/192355

date	job status	comment
Sep 02 09:09:59 UTC 2026	submitted	job id `192355` awaits release by job manager
Sep 02 09:11:09 UTC 2026	released	job awaits launch by Slurm scheduler
Sep 02 10:44:05 UTC 2026	running	job `192355` is running
Sep 02 11:03:16 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-192355.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-x86_64-amd-zen2-17883469380.tar.zst` size: 14 MiB (15425093 bytes) entries: 647 modules under 2025.06/software/linux/x86_64/amd/zen2/modules/all `OpenMM/8.5.2-foss-2025b.lua` software under 2025.06/software/linux/x86_64/amd/zen2/software `OpenMM/8.5.2-foss-2025b` reprod directories under 2025.06/software/linux/x86_64/amd/zen2/reprod `OpenMM/8.5.2-foss-2025b/20260902_110137UTC` other under 2025.06/software/linux/x86_64/amd/zen2 no other files in tarball
Sep 02 11:03:16 UTC 2026	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-192355.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 02 11:33:16 UTC 2026	uploaded	transfer of `eessi-2025.06-software-linux-x86_64-amd-zen2-17883469380.tar.zst` to S3 bucket succeeded

eessi-bot-deucalion · 2026-09-02T09:10:02Z

New job on instance eessi-bot-deucalion for repository eessi.io-2025.06-software
Building on: a64fx
Building for: aarch64/a64fx
Job dir: /home/eessibot/new-bot/jobs/2026.09/pr_1604/1868569

date	job status	comment
Sep 02 09:10:00 UTC 2026	submitted	job id `1868569` awaits release by job manager
Sep 02 09:10:17 UTC 2026	released	job awaits launch by Slurm scheduler
Sep 02 09:11:20 UTC 2026	running	job `1868569` is running
Sep 02 09:51:56 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-1868569.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-a64fx-17883426270.tar.zst` size: 14 MiB (15300851 bytes) entries: 647 modules under 2025.06/software/linux/aarch64/a64fx/modules/all `OpenMM/8.5.2-foss-2025b.lua` software under 2025.06/software/linux/aarch64/a64fx/software `OpenMM/8.5.2-foss-2025b` reprod directories under 2025.06/software/linux/aarch64/a64fx/reprod `OpenMM/8.5.2-foss-2025b/20260902_094846UTC` other under 2025.06/software/linux/aarch64/a64fx no other files in tarball
Sep 02 09:51:56 UTC 2026	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-1868569.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 02 11:33:18 UTC 2026	uploaded	transfer of `eessi-2025.06-software-linux-aarch64-a64fx-17883426270.tar.zst` to S3 bucket succeeded

eessi-bot-jsc · 2026-09-02T09:10:04Z

New job on instance eessi-bot-jsc for repository eessi.io-2025.06-software
Building on: nvidia-grace
Building for: aarch64/nvidia/grace
Job dir: /p/project1/ceasybuilders/eessibot/jobs/2026.09/pr_1604/15583217

date	job status	comment
Sep 02 09:10:02 UTC 2026	submitted	job id `15583217` awaits release by job manager
Sep 02 09:10:33 UTC 2026	released	job awaits launch by Slurm scheduler
Sep 02 09:11:37 UTC 2026	running	job `15583217` is running
Sep 02 09:26:07 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-15583217.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-nvidia-grace-17883409990.tar.gz` size: 15 MiB (16001812 bytes) entries: 647 modules under 2025.06/software/linux/aarch64/nvidia/grace/modules/all `OpenMM/8.5.2-foss-2025b.lua` software under 2025.06/software/linux/aarch64/nvidia/grace/software `OpenMM/8.5.2-foss-2025b` reprod directories under 2025.06/software/linux/aarch64/nvidia/grace/reprod `OpenMM/8.5.2-foss-2025b/20260902_092219UTC` other under 2025.06/software/linux/aarch64/nvidia/grace no other files in tarball
Sep 02 09:26:07 UTC 2026	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-15583217.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 02 11:33:18 UTC 2026	uploaded	transfer of `eessi-2025.06-software-linux-aarch64-nvidia-grace-17883409990.tar.gz` to S3 bucket succeeded

boegel · 2026-09-02T11:04:17Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws for:arch=x86_64/generic
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen3
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen4
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws for:arch=x86_64/intel/haswell
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws for:arch=x86_64/intel/skylake_avx512
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws for:arch=x86_64/intel/icelake
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws for:arch=x86_64/intel/cascadelake
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws for:arch=x86_64/intel/sapphirerapids
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws for:arch=aarch64/generic
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws for:arch=aarch64/neoverse_n1
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws for:arch=aarch64/neoverse_v1
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-aws-eu-south for:arch=x86_64/amd/zen5

eessi-bot-aws · 2026-09-02T11:04:25Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2025.06-software
Building on: generic
Building for: x86_64/generic
Job dir: /project/def-users/SHARED/jobs/2026.09/pr_1604/192475

date	job status	comment
Sep 02 11:04:24 UTC 2026	submitted	job id `192475` awaits release by job manager
Sep 02 11:05:45 UTC 2026	released	job awaits launch by Slurm scheduler
Sep 02 11:07:46 UTC 2026	running	job `192475` is running
Sep 02 11:17:35 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-192475.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-x86_64-generic-17883477680.tar.zst` size: 14 MiB (15306912 bytes) entries: 647 modules under 2025.06/software/linux/x86_64/generic/modules/all `OpenMM/8.5.2-foss-2025b.lua` software under 2025.06/software/linux/x86_64/generic/software `OpenMM/8.5.2-foss-2025b` reprod directories under 2025.06/software/linux/x86_64/generic/reprod `OpenMM/8.5.2-foss-2025b/20260902_111545UTC` other under 2025.06/software/linux/x86_64/generic no other files in tarball
Sep 02 11:17:35 UTC 2026	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-192475.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 02 11:33:25 UTC 2026	uploaded	transfer of `eessi-2025.06-software-linux-x86_64-generic-17883477680.tar.zst` to S3 bucket succeeded

eessi-bot-aws · 2026-09-02T11:04:30Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2025.06-software
Building on: amd-zen3
Building for: x86_64/amd/zen3
Job dir: /project/def-users/SHARED/jobs/2026.09/pr_1604/192476

date	job status	comment
Sep 02 11:04:29 UTC 2026	submitted	job id `192476` awaits release by job manager
Sep 02 11:05:35 UTC 2026	released	job awaits launch by Slurm scheduler
Sep 02 11:07:35 UTC 2026	running	job `192476` is running
Sep 02 11:23:04 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-192476.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-x86_64-amd-zen3-17883481010.tar.zst` size: 14 MiB (15410214 bytes) entries: 647 modules under 2025.06/software/linux/x86_64/amd/zen3/modules/all `OpenMM/8.5.2-foss-2025b.lua` software under 2025.06/software/linux/x86_64/amd/zen3/software `OpenMM/8.5.2-foss-2025b` reprod directories under 2025.06/software/linux/x86_64/amd/zen3/reprod `OpenMM/8.5.2-foss-2025b/20260902_112105UTC` other under 2025.06/software/linux/x86_64/amd/zen3 no other files in tarball
Sep 02 11:23:04 UTC 2026	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-192476.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 02 11:33:35 UTC 2026	uploaded	transfer of `eessi-2025.06-software-linux-x86_64-amd-zen3-17883481010.tar.zst` to S3 bucket succeeded

eessi-bot-aws · 2026-09-02T11:04:35Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2025.06-software
Building on: amd-zen4
Building for: x86_64/amd/zen4
Job dir: /project/def-users/SHARED/jobs/2026.09/pr_1604/192477

date	job status	comment
Sep 02 11:04:34 UTC 2026	submitted	job id `192477` awaits release by job manager
Sep 02 11:05:40 UTC 2026	released	job awaits launch by Slurm scheduler
Sep 02 11:07:41 UTC 2026	running	job `192477` is running
Sep 02 11:20:28 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-192477.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-x86_64-amd-zen4-17883479640.tar.zst` size: 14 MiB (15487419 bytes) entries: 647 modules under 2025.06/software/linux/x86_64/amd/zen4/modules/all `OpenMM/8.5.2-foss-2025b.lua` software under 2025.06/software/linux/x86_64/amd/zen4/software `OpenMM/8.5.2-foss-2025b` reprod directories under 2025.06/software/linux/x86_64/amd/zen4/reprod `OpenMM/8.5.2-foss-2025b/20260902_111853UTC` other under 2025.06/software/linux/x86_64/amd/zen4 no other files in tarball
Sep 02 11:20:28 UTC 2026	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-192477.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 02 11:33:45 UTC 2026	uploaded	transfer of `eessi-2025.06-software-linux-x86_64-amd-zen4-17883479640.tar.zst` to S3 bucket succeeded

eessi-bot-aws · 2026-09-02T11:04:42Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2025.06-software
Building on: intel-haswell
Building for: x86_64/intel/haswell
Job dir: /project/def-users/SHARED/jobs/2026.09/pr_1604/192479

date	job status	comment
Sep 02 11:04:41 UTC 2026	submitted	job id `192479` awaits release by job manager
Sep 02 11:05:55 UTC 2026	released	job awaits launch by Slurm scheduler
Sep 02 11:07:51 UTC 2026	running	job `192479` is running
Sep 02 11:24:22 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-192479.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-x86_64-intel-haswell-17883481690.tar.zst` size: 14 MiB (15433258 bytes) entries: 647 modules under 2025.06/software/linux/x86_64/intel/haswell/modules/all `OpenMM/8.5.2-foss-2025b.lua` software under 2025.06/software/linux/x86_64/intel/haswell/software `OpenMM/8.5.2-foss-2025b` reprod directories under 2025.06/software/linux/x86_64/intel/haswell/reprod `OpenMM/8.5.2-foss-2025b/20260902_112211UTC` other under 2025.06/software/linux/x86_64/intel/haswell no other files in tarball
Sep 02 11:24:22 UTC 2026	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-192479.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 02 11:33:55 UTC 2026	uploaded	transfer of `eessi-2025.06-software-linux-x86_64-intel-haswell-17883481690.tar.zst` to S3 bucket succeeded

eessi-bot-aws-eu-south · 2026-09-02T11:04:45Z

New job on instance eessi-bot-aws-eu-south for repository eessi.io-2025.06-software
Building on: amd-zen5
Building for: x86_64/amd/zen5
Job dir: /project/def-users/SHARED/jobs/2026.09/pr_1604/319

date	job status	comment
Sep 02 11:04:43 UTC 2026	submitted	job id `319` awaits release by job manager
Sep 02 11:05:14 UTC 2026	released	job awaits launch by Slurm scheduler
Sep 02 11:12:41 UTC 2026	running	job `319` is running
Sep 02 11:20:35 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-319.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-x86_64-amd-zen5-17883479720.tar.zst` size: 14 MiB (15477314 bytes) entries: 647 modules under 2025.06/software/linux/x86_64/amd/zen5/modules/all `OpenMM/8.5.2-foss-2025b.lua` software under 2025.06/software/linux/x86_64/amd/zen5/software `OpenMM/8.5.2-foss-2025b` reprod directories under 2025.06/software/linux/x86_64/amd/zen5/reprod `OpenMM/8.5.2-foss-2025b/20260902_111918UTC` other under 2025.06/software/linux/x86_64/amd/zen5 no other files in tarball
Sep 02 11:20:35 UTC 2026	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-319.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 02 11:33:17 UTC 2026	uploaded	transfer of `eessi-2025.06-software-linux-x86_64-amd-zen5-17883479720.tar.zst` to S3 bucket succeeded

eessi-bot-aws · 2026-09-02T11:04:48Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2025.06-software
Building on: intel-skylake_avx512
Building for: x86_64/intel/skylake_avx512
Job dir: /project/def-users/SHARED/jobs/2026.09/pr_1604/192481

date	job status	comment
Sep 02 11:04:47 UTC 2026	submitted	job id `192481` awaits release by job manager
Sep 02 11:06:06 UTC 2026	released	job awaits launch by Slurm scheduler
Sep 02 11:07:56 UTC 2026	running	job `192481` is running
Sep 02 11:23:08 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-192481.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-x86_64-intel-skylake_avx512-17883481530.tar.zst` size: 14 MiB (15421834 bytes) entries: 647 modules under 2025.06/software/linux/x86_64/intel/skylake_avx512/modules/all `OpenMM/8.5.2-foss-2025b.lua` software under 2025.06/software/linux/x86_64/intel/skylake_avx512/software `OpenMM/8.5.2-foss-2025b` reprod directories under 2025.06/software/linux/x86_64/intel/skylake_avx512/reprod `OpenMM/8.5.2-foss-2025b/20260902_112156UTC` other under 2025.06/software/linux/x86_64/intel/skylake_avx512 no other files in tarball
Sep 02 11:23:08 UTC 2026	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-192481.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 02 11:34:04 UTC 2026	uploaded	transfer of `eessi-2025.06-software-linux-x86_64-intel-skylake_avx512-17883481530.tar.zst` to S3 bucket succeeded

eessi-bot-aws · 2026-09-02T11:04:53Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2025.06-software
Building on: intel-icelake
Building for: x86_64/intel/icelake
Job dir: /project/def-users/SHARED/jobs/2026.09/pr_1604/192482

date	job status	comment
Sep 02 11:04:52 UTC 2026	submitted	job id `192482` awaits release by job manager
Sep 02 11:06:01 UTC 2026	released	job awaits launch by Slurm scheduler
Sep 02 11:15:53 UTC 2026	running	job `192482` is running
Sep 02 11:24:24 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-192482.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-x86_64-intel-icelake-17883482230.tar.zst` size: 14 MiB (15413812 bytes) entries: 647 modules under 2025.06/software/linux/x86_64/intel/icelake/modules/all `OpenMM/8.5.2-foss-2025b.lua` software under 2025.06/software/linux/x86_64/intel/icelake/software `OpenMM/8.5.2-foss-2025b` reprod directories under 2025.06/software/linux/x86_64/intel/icelake/reprod `OpenMM/8.5.2-foss-2025b/20260902_112326UTC` other under 2025.06/software/linux/x86_64/intel/icelake no other files in tarball
Sep 02 11:24:24 UTC 2026	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-192482.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 02 11:34:14 UTC 2026	uploaded	transfer of `eessi-2025.06-software-linux-x86_64-intel-icelake-17883482230.tar.zst` to S3 bucket succeeded

eessi-bot-aws · 2026-09-02T11:04:58Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2025.06-software
Building on: intel-cascadelake
Building for: x86_64/intel/cascadelake
Job dir: /project/def-users/SHARED/jobs/2026.09/pr_1604/192484

date	job status	comment
Sep 02 11:04:57 UTC 2026	submitted	job id `192484` awaits release by job manager
Sep 02 11:05:50 UTC 2026	released	job awaits launch by Slurm scheduler
Sep 02 11:14:11 UTC 2026	running	job `192484` is running
Sep 02 11:31:51 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-192484.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-x86_64-intel-cascadelake-17883486510.tar.zst` size: 14 MiB (15424733 bytes) entries: 647 modules under 2025.06/software/linux/x86_64/intel/cascadelake/modules/all `OpenMM/8.5.2-foss-2025b.lua` software under 2025.06/software/linux/x86_64/intel/cascadelake/software `OpenMM/8.5.2-foss-2025b` reprod directories under 2025.06/software/linux/x86_64/intel/cascadelake/reprod `OpenMM/8.5.2-foss-2025b/20260902_113012UTC` other under 2025.06/software/linux/x86_64/intel/cascadelake no other files in tarball
Sep 02 11:31:51 UTC 2026	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-192484.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 02 11:34:23 UTC 2026	uploaded	transfer of `eessi-2025.06-software-linux-x86_64-intel-cascadelake-17883486510.tar.zst` to S3 bucket succeeded

eessi-bot-aws · 2026-09-02T11:05:07Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2025.06-software
Building on: intel-sapphirerapids
Building for: x86_64/intel/sapphirerapids
Job dir: /project/def-users/SHARED/jobs/2026.09/pr_1604/192487

date	job status	comment
Sep 02 11:05:05 UTC 2026	submitted	job id `192487` awaits release by job manager
Sep 02 11:06:11 UTC 2026	released	job awaits launch by Slurm scheduler
Sep 02 11:08:04 UTC 2026	running	job `192487` is running
Sep 02 11:26:57 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-192487.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-x86_64-intel-sapphirerapids-17883483260.tar.zst` size: 14 MiB (15432362 bytes) entries: 647 modules under 2025.06/software/linux/x86_64/intel/sapphirerapids/modules/all `OpenMM/8.5.2-foss-2025b.lua` software under 2025.06/software/linux/x86_64/intel/sapphirerapids/software `OpenMM/8.5.2-foss-2025b` reprod directories under 2025.06/software/linux/x86_64/intel/sapphirerapids/reprod `OpenMM/8.5.2-foss-2025b/20260902_112449UTC` other under 2025.06/software/linux/x86_64/intel/sapphirerapids no other files in tarball
Sep 02 11:26:57 UTC 2026	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-192487.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 02 11:34:33 UTC 2026	uploaded	transfer of `eessi-2025.06-software-linux-x86_64-intel-sapphirerapids-17883483260.tar.zst` to S3 bucket succeeded

eessi-bot-aws · 2026-09-02T11:05:11Z

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/2026.09/pr_1604/192489

date	job status	comment
Sep 02 11:05:10 UTC 2026	submitted	job id `192489` awaits release by job manager
Sep 02 11:05:24 UTC 2026	released	job awaits launch by Slurm scheduler
Sep 02 11:07:25 UTC 2026	running	job `192489` is running
Sep 02 11:23:00 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-192489.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-17883480860.tar.zst` size: 14 MiB (14927245 bytes) entries: 647 modules under 2025.06/software/linux/aarch64/generic/modules/all `OpenMM/8.5.2-foss-2025b.lua` software under 2025.06/software/linux/aarch64/generic/software `OpenMM/8.5.2-foss-2025b` reprod directories under 2025.06/software/linux/aarch64/generic/reprod `OpenMM/8.5.2-foss-2025b/20260902_112048UTC` other under 2025.06/software/linux/aarch64/generic no other files in tarball
Sep 02 11:23:00 UTC 2026	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-192489.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 02 11:34:42 UTC 2026	uploaded	transfer of `eessi-2025.06-software-linux-aarch64-generic-17883480860.tar.zst` to S3 bucket succeeded

eessi-bot-aws · 2026-09-02T11:05:16Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2025.06-software
Building on: neoverse_n1
Building for: aarch64/neoverse_n1
Job dir: /project/def-users/SHARED/jobs/2026.09/pr_1604/192491

date	job status	comment
Sep 02 11:05:15 UTC 2026	submitted	job id `192491` awaits release by job manager
Sep 02 11:05:26 UTC 2026	released	job awaits launch by Slurm scheduler
Sep 02 11:07:28 UTC 2026	running	job `192491` is running
Sep 02 11:23:02 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-192491.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-neoverse_n1-17883481070.tar.zst` size: 14 MiB (14933386 bytes) entries: 647 modules under 2025.06/software/linux/aarch64/neoverse_n1/modules/all `OpenMM/8.5.2-foss-2025b.lua` software under 2025.06/software/linux/aarch64/neoverse_n1/software `OpenMM/8.5.2-foss-2025b` reprod directories under 2025.06/software/linux/aarch64/neoverse_n1/reprod `OpenMM/8.5.2-foss-2025b/20260902_112107UTC` other under 2025.06/software/linux/aarch64/neoverse_n1 no other files in tarball
Sep 02 11:23:02 UTC 2026	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-192491.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 02 11:34:52 UTC 2026	uploaded	transfer of `eessi-2025.06-software-linux-aarch64-neoverse_n1-17883481070.tar.zst` to S3 bucket succeeded

eessi-bot-aws · 2026-09-02T11:05:22Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2025.06-software
Building on: neoverse_v1
Building for: aarch64/neoverse_v1
Job dir: /project/def-users/SHARED/jobs/2026.09/pr_1604/192493

date	job status	comment
Sep 02 11:05:21 UTC 2026	submitted	job id `192493` awaits release by job manager
Sep 02 11:05:29 UTC 2026	released	job awaits launch by Slurm scheduler
Sep 02 11:07:30 UTC 2026	running	job `192493` is running
Sep 02 11:20:25 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-192493.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-neoverse_v1-17883479780.tar.zst` size: 14 MiB (14966050 bytes) entries: 647 modules under 2025.06/software/linux/aarch64/neoverse_v1/modules/all `OpenMM/8.5.2-foss-2025b.lua` software under 2025.06/software/linux/aarch64/neoverse_v1/software `OpenMM/8.5.2-foss-2025b` reprod directories under 2025.06/software/linux/aarch64/neoverse_v1/reprod `OpenMM/8.5.2-foss-2025b/20260902_111905UTC` other under 2025.06/software/linux/aarch64/neoverse_v1 no other files in tarball
Sep 02 11:20:25 UTC 2026	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-192493.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 02 11:35:01 UTC 2026	uploaded	transfer of `eessi-2025.06-software-linux-aarch64-neoverse_v1-17883479780.tar.zst` to S3 bucket succeeded

bedroge · 2026-09-02T13:43:30Z

Staging PR merged

Neves-P

lgtm!

{2025.06}[foss/2025b] OpenMM 8.5.2

11e7ec8

bedroge added the 2025.06-software.eessi.io 2025.06 version of software.eessi.io label Sep 2, 2026

bedroge added the bot:deploy Ask bot to deploy missing software installations to EESSI label Sep 2, 2026

bedroge approved these changes Sep 2, 2026

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Neves-P approved these changes Sep 2, 2026

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Neves-P merged commit 4824f1c into EESSI:main Sep 2, 2026
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