{2023.06}[2023b,a64fx] GROMACS 2024.1 by bedroge · Pull Request #1308 · EESSI/software-layer

bedroge · 2025-11-17T21:20:55Z

The very last one, this should close the gap (lets celebrate later). #1221 can be rerun and merged when this is ingested.

bedroge · 2025-11-17T21:21:09Z

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-deucalion for:arch=aarch64/a64fx

bedroge · 2025-11-17T21:50:19Z

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-deucalion for:arch=aarch64/a64fx

bedroge · 2025-11-17T21:51:23Z

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-deucalion for:arch=aarch64/a64fx

bedroge · 2025-11-17T21:51:47Z

bot: help

gpu-bot-ugent · 2025-11-17T21:51:51Z

Updates by the bot instance eessi-bot-vsc-ugent (click for details)

received bot command help from bedroge
- expanded format: help
handling command help resulted in:
How to send commands to bot instances
- Commands must be sent with a new comment (edits of existing comments are ignored).
- A comment may contain multiple commands, one per line.
- Every command begins at the start of a line and has the syntax bot: COMMAND [ARGUMENTS]*
- Currently supported COMMANDs are: help, build, show_config, status
For more information, see https://www.eessi.io/docs/bot

eessi-bot-surf · 2025-11-17T21:51:52Z

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

received bot command help from bedroge
- expanded format: help
handling command help resulted in:
How to send commands to bot instances
- Commands must be sent with a new comment (edits of existing comments are ignored).
- A comment may contain multiple commands, one per line.
- Every command begins at the start of a line and has the syntax bot: COMMAND [ARGUMENTS]*
- Currently supported COMMANDs are: help, build, show_config, status
For more information, see https://www.eessi.io/docs/bot

trz42 · 2025-11-17T23:25:36Z

Seems bot instance was a bit unresponsive. Some errors seen for the Smee client. Retrying triggering the job...
bot: build repo:eessi.io-2023.06-software instance:eessi-bot-deucalion for:arch=aarch64/a64fx

trz42 · 2025-11-17T23:27:41Z

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-deucalion for:arch=aarch64/a64fx

eessi-bot-deucalion · 2025-11-17T23:27:49Z

New job on instance eessi-bot-deucalion for repository eessi.io-2023.06-software
Building on: a64fx
Building for: aarch64/a64fx
Job dir: /home/eessibot/new-bot/jobs/2025.11/pr_1308/686558

date	job status	comment
Nov 17 23:27:48 UTC 2025	submitted	job id `686558` awaits release by job manager
Nov 17 23:28:39 UTC 2025	released	job awaits launch by Slurm scheduler
Nov 17 23:29:48 UTC 2025	running	job `686558` is running
Nov 18 02:23:29 UTC 2025	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-686558.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-2023.06-software-linux-aarch64-a64fx-17634322210.tar.zst` size: 43 MiB (45231710 bytes) entries: 771 modules under 2023.06/software/linux/aarch64/a64fx/modules/all `GROMACS/2024.1-foss-2023b.lua` software under 2023.06/software/linux/aarch64/a64fx/software `GROMACS/2024.1-foss-2023b` reprod directories under 2023.06/software/linux/aarch64/a64fx/reprod no reprod directories in tarball other under 2023.06/software/linux/aarch64/a64fx no other files in tarball
Nov 18 02:23:29 UTC 2025	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ SKIP ] ( 1/12) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) according to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] ( 2/12) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) according to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] ( 3/12) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) according to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] ( 4/12) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) according to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] ( 5/12) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) according to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] ( 6/12) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) according to the current ReFrame configuration, but 49152 MiB is needed [ OK ] ( 7/12) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /15cad6c4 @BotBuildTests:aarch64_a64fx+default P: latency: 1.66 us (r:0, l:None, u:None) [ OK ] ( 8/12) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /6672deda @BotBuildTests:aarch64_a64fx+default P: latency: 1.78 us (r:0, l:None, u:None) [ OK ] ( 9/12) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /2a9a47b1 @BotBuildTests:aarch64_a64fx+default P: bandwidth: 8761.83 MB/s (r:0, l:None, u:None) [ OK ] (10/12) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /1b24ab8e @BotBuildTests:aarch64_a64fx+default P: bandwidth: 8680.77 MB/s (r:0, l:None, u:None) [ OK ] (11/12) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/29Aug2024-foss-2023b-kokkos %scale=1_node /aeb2d9df @BotBuildTests:aarch64_a64fx+default P: perf: 581.025 timesteps/s (r:0, l:None, u:None) [ OK ] (12/12) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos %scale=1_node /04ff9ece @BotBuildTests:aarch64_a64fx+default P: perf: 582.474 timesteps/s (r:0, l:None, u:None) [ PASSED ] Ran 6/12 test case(s) from 12 check(s) (0 failure(s), 6 skipped, 0 aborted) Details ✅ job output file `slurm-686558.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Nov 18 06:28:24 UTC 2025	uploaded	transfer of `eessi-2023.06-software-linux-aarch64-a64fx-17634322210.tar.zst` to S3 bucket succeeded

trz42 · 2025-11-17T23:32:04Z

I guess the Smee client is very picky about special characters. Replacing 🎉 in description may have enabled it to forward the webhook to the event handler. Before, it spit out errors such as

TypeError: Cannot convert argument to a ByteString because the character at index 2629 has a value of 55356 which is greater than 255.

boegel · 2025-11-18T07:07:30Z

staging PR merged...

add GROMACS 2024.1

251db86

bedroge added 2023.06-software.eessi.io 2023.06 version of software.eessi.io a64fx labels Nov 17, 2025

bedroge mentioned this pull request Nov 17, 2025

add patch for double precision SVE bug to GROMACS 2024.1 easyconfig easybuilders/easybuild-easyconfigs#24602

Merged

ocaisa approved these changes Nov 18, 2025

View reviewed changes

ocaisa added the bot:deploy Ask bot to deploy missing software installations to EESSI label Nov 18, 2025

boegel mentioned this pull request Nov 18, 2025

enable "compare stacks" CI for A64FX #1221

Merged

This was referenced Nov 18, 2025

Use max 8 cores when building GROMACS for A64FX EESSI/software-layer-scripts#129

Closed

{2023.06}[2023b,a64fx] GROMACS built with EB 4.9.1 #1155

Closed

Notes on building the stack for Fujitsu A64FX #1024

Closed

ocaisa merged commit 7d5054d into EESSI:main Nov 18, 2025
50 checks passed

bedroge deleted the a64fx_gromacs_2024.1 branch November 18, 2025 15:21

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{2023.06}[2023b,a64fx] GROMACS 2024.1#1308

{2023.06}[2023b,a64fx] GROMACS 2024.1#1308
ocaisa merged 1 commit intoEESSI:mainfrom
bedroge:a64fx_gromacs_2024.1

bedroge commented Nov 17, 2025 •

edited by trz42

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