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

[hvelab]

as it was skipped in #1097

[hvelab]

bot: build instance:eessi-bot-deucalion repository:eessi.io-2023.06-software architecture:aarch64/a64fx

[eessi-bot-deucalion]

New job on instance eessi-bot-deucalion for CPU micro-architecture aarch64-a64fx for repository eessi.io-2023.06-software in job dir /home/eessibot/new-bot/jobs/2025.08/pr_1155/514374

date	job status	comment
Aug 14 13:21:48 UTC 2025	submitted	job id 514374 awaits release by job manager
Aug 14 13:22:47 UTC 2025	released	job awaits launch by Slurm scheduler
Aug 14 13:23:50 UTC 2025	running	job 514374 is running
Aug 14 14:17:14 UTC 2025	finished	😢 FAILURE (click triangle for details) Details ✅ job output file slurm-514374.out ✅ no message matching FATAL: ❌ 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 eessi-2023.06-software-linux-aarch64-a64fx-17551807430.tar.gz size: 3 MiB (4146335 bytes) entries: 1260 modules under 2023.06/software/linux/aarch64/a64fx/modules/all networkx/3.2.1-gfbf-2023b.lua software under 2023.06/software/linux/aarch64/a64fx/software networkx/3.2.1-gfbf-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
Aug 14 14:17:14 UTC 2025	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ SKIP ] (1/9) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) accodring to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] (2/9) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) accodring to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] (3/9) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) accodring to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] (4/9) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) accodring to the current ReFrame configuration, but 49152 MiB is needed [ OK ] (5/9) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos %scale=1_node /04ff9ece @BotBuildTests:aarch64_a64fx+default P: perf: 581.063 timesteps/s (r:0, l:None, u:None) [ OK ] (6/9) 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 ] (7/9) 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: 1.73 us (r:0, l:None, u:None) [ OK ] (8/9) 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: 8765.3 MB/s (r:0, l:None, u:None) [ OK ] (9/9) 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: 8231.78 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 5/9 test case(s) from 9 check(s) (0 failure(s), 4 skipped, 0 aborted) Details ✅ job output file slurm-514374.out ❌ found message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case

[boegel]

@hvelab Fails, can you access the logs to figure things out?

[hvelab]

Found the problem thanks to @dagonzalezfo , just as with his PR (#1154 (comment)), a test fails numerically.

The results of the test can be found in the file
/projects/I20240007/new-bot/jobs/2025.08/pr_1155/event_9def3570-7911-11f0-98aa-9a24cb409270/run_000/linux_aarch64_a64fx/eessi.io-2023.06-software/previous_tmp/build_step/eb-30ns_3qr/eb-6wc9hkqf/easybuild-GROMACS-2024.1-20250814.142939.nVCtq.log in Deucalion

Should we open an issue to Gromacs developers?