{2025.06}[foss/2024a] LAMMPS 22Jul2025 with CUDA by laraPPr · Pull Request #1461 · EESSI/software-layer

laraPPr · 2026-04-07T10:41:22Z

No description provided.

laraPPr · 2026-04-07T10:43:41Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-vsc-ugent for:arch=x86_64/amd/zen3,accel=nvidia/cc80

gpu-bot-ugent · 2026-04-07T10:43:48Z

New job on instance eessi-bot-vsc-ugent for repository eessi.io-2025.06-software
Building on: amd-zen3 and accelerator nvidia/cc80
Building for: x86_64/amd/zen3 and accelerator nvidia/cc80
Job dir: /scratch/gent/vo/002/gvo00211/SHARED/jobs/2026.04/pr_1461/15679185

date	job status	comment
Apr 07 10:43:46 UTC 2026	submitted	job id `15679185` awaits release by job manager
Apr 07 10:45:02 UTC 2026	released	job awaits launch by Slurm scheduler
Apr 07 11:37:06 UTC 2026	finished	🤷 UNKNOWN (click triangle for detailed information) Job results file `_bot_job15679185.result` does not exist in job directory, or parsing it failed. No artefacts were found/reported.
Apr 07 11:37:06 UTC 2026	test result	🤷 UNKNOWN (click triangle for detailed information) Job test file `_bot_job15679185.test` does not exist in job directory, or parsing it failed.

laraPPr · 2026-04-07T11:22:52Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-surf for:arch=x86_64/amd/zen4,accel=nvidia/cc90

eessi-bot-surf · 2026-04-07T11:23:00Z

New job on instance eessi-bot-surf for repository eessi.io-2025.06-software
Building on: amd-zen4 and accelerator nvidia/cc90
Building for: x86_64/amd/zen4 and accelerator nvidia/cc90
Job dir: /projects/eessibot/eessi-bot-surf/jobs/2026.04/pr_1461/21613219

date	job status	comment
Apr 07 11:22:58 UTC 2026	submitted	job id `21613219` will be eligible to start in about 20 seconds
Apr 07 11:23:07 UTC 2026	received	job awaits launch by Slurm scheduler
Apr 07 11:23:21 UTC 2026	running	job `21613219` is running
Apr 07 11:25:05 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-21613219.out` ✅ no message matching `FATAL:` ❌ found message matching `ERROR:` ✅ no message matching `FAILED:` ✅ no message matching `required modules missing:` ❌ no message matching `No missing installations` ✅ found message matching `.tar.* created!` Artefacts `eessi-2025.06-software-linux-x86_64-amd-zen4-accel-nvidia-cc90-17755610530.tar.zst` size: 0 MiB (22 bytes) entries: 0 modules under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90/modules/all no module files in tarball software under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90/software no software packages in tarball reprod directories under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90/reprod no reprod directories in tarball other under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90 no other files in tarball
Apr 07 11:25:05 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ SKIP ] (1/4) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /526cd259 @BotBuildTests:gpu_h100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] (2/4) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /416eaee1 @BotBuildTests:gpu_h100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] (3/4) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node /73a202f1 @BotBuildTests:gpu_h100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (4/4) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node /7f04eb2b @BotBuildTests:gpu_h100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ PASSED ] Ran 0/4 test case(s) from 4 check(s) (0 failure(s), 4 skipped, 0 aborted) Details ✅ job output file `slurm-21613219.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

laraPPr · 2026-04-07T11:32:30Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-surf for:arch=x86_64/amd/zen4,accel=nvidia/cc90

eessi-bot-surf · 2026-04-07T11:32:37Z

New job on instance eessi-bot-surf for repository eessi.io-2025.06-software
Building on: amd-zen4 and accelerator nvidia/cc90
Building for: x86_64/amd/zen4 and accelerator nvidia/cc90
Job dir: /projects/eessibot/eessi-bot-surf/jobs/2026.04/pr_1461/21613350

date	job status	comment
Apr 07 11:32:35 UTC 2026	submitted	job id `21613350` will be eligible to start in about 20 seconds
Apr 07 11:32:42 UTC 2026	received	job awaits launch by Slurm scheduler
Apr 07 11:33:05 UTC 2026	running	job `21613350` is running
Apr 07 11:35:38 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-21613350.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.* created!` Artefacts `eessi-2025.06-software-linux-x86_64-amd-zen4-accel-nvidia-cc90-17755616890.tar.zst` size: 0 MiB (22 bytes) entries: 0 modules under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90/modules/all no module files in tarball software under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90/software no software packages in tarball reprod directories under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90/reprod no reprod directories in tarball other under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90 no other files in tarball
Apr 07 11:35:38 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ SKIP ] (1/4) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /526cd259 @BotBuildTests:gpu_h100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] (2/4) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /416eaee1 @BotBuildTests:gpu_h100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] (3/4) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node /73a202f1 @BotBuildTests:gpu_h100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (4/4) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node /7f04eb2b @BotBuildTests:gpu_h100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ PASSED ] Ran 0/4 test case(s) from 4 check(s) (0 failure(s), 4 skipped, 0 aborted) Details ✅ job output file `slurm-21613350.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

laraPPr · 2026-04-07T11:43:29Z

@casparvl why is cuda compute capabilities set like this? LAMMPS does not like it.

cuda-compute-capabilities                (E) = 9.0a

laraPPr · 2026-04-07T11:49:17Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-vsc-ugent for:arch=x86_64/amd/zen3,accel=nvidia/cc80

gpu-bot-ugent · 2026-04-07T11:49:24Z

New job on instance eessi-bot-vsc-ugent for repository eessi.io-2025.06-software
Building on: amd-zen3 and accelerator nvidia/cc80
Building for: x86_64/amd/zen3 and accelerator nvidia/cc80
Job dir: /scratch/gent/vo/002/gvo00211/SHARED/jobs/2026.04/pr_1461/15679189

date	job status	comment
Apr 07 11:49:23 UTC 2026	submitted	job id `15679189` awaits release by job manager
Apr 07 11:51:12 UTC 2026	released	job awaits launch by Slurm scheduler
Apr 07 12:01:16 UTC 2026	running	job `15679189` is running
Apr 07 14:42:00 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-15679189.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-accel-nvidia-cc80-17755728850.tar.zst` size: 241 MiB (252803906 bytes) entries: 5042 modules under 2025.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80/modules/all `LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.lua` software under 2025.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80/software `LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0` reprod directories under 2025.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80/reprod `LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0/20260407_144108UTC` other under 2025.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80 no other files in tarball
Apr 07 14:42:00 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-15679189.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

casparvl · 2026-04-07T14:33:09Z

@casparvl why is cuda compute capabilities set like this? LAMMPS does not like it.

Because that's the target for which we want CUDA code to be compiled :D If a particular package doesn't support the suffixes in the targets, we should make sure they get stripped. We could do this in an EESSI hook, but it would be better to do it upstream in EasyBuild.

Both a and f suffixes are valid in --cuda-compute-capabilities (see the regex pattern against which the option is checked at https://github.com/easybuilders/easybuild-framework/blob/83d94433ad38b4b02a443beb244b88a09edb2748/easybuild/tools/options.py#L1004 ) at the framework level. I'm sure there are easyblocks out there - like LAMMPS - that don't handle thise case well. But the block should just be improved to take a sensible decision. In the end, we would like nvcc to be called with a -arch=sm_90a argument (or equivalent, there are a few different options that lead to the same result). But of course, build systems sometimes abstract this away, and then we need to deal with the build system to do something sensible.

Note that the a suffix potentially allows for better optimization, because you're essentially telling the compiler: this code only needs to run on 9.0 devices (wheres -arch=sm_90 would have to produce code that runs on any 9.X device, thus potentially allowing for less optimization).

laraPPr · 2026-04-07T14:43:05Z

It is because it is not in this mapping, https://github.com/easybuilders/easybuild-easyblocks/blob/ad5538e0d532f06ecdc801794e390db49aa5c350/easybuild/easyblocks/l/lammps.py#L158-L177. From your explanation I see adding 9.0a as an option if building with -arch=sm_90a is supported. I also prefer doing all this upstream in EasyBuild.

laraPPr · 2026-04-07T14:53:04Z

We do not build lammps with -arch but with Kokkos (-DKokkos_ARCH_NATIVE=yes -DKokkos_ARCH_{GPU_MAPPING}=yes). So I see two options:

We add the following mapping in the easyblock
'9.0a': 'HOPPER90', # NVIDIA Hopper generation CC 9.0
Since 90a is not know in LAMMPS see https://github.com/lammps/lammps/blob/c7ae612a9497437412cb787b78769570f48653dd/lib/kokkos/core/src/impl/Kokkos_NvidiaGpuArchitectures.hpp#L50 or in kokkos https://github.com/kokkos/kokkos/blob/04eff0f546860eeda1c52c4206df9fafc337f6f7/core/src/impl/Kokkos_NvidiaGpuArchitectures.hpp#L31.

or overwrite cuda_cc in the hook. I prefer option 1.

laraPPr · 2026-04-08T07:49:58Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-surf for:arch=x86_64/amd/zen4,accel=nvidia/cc90

eessi-bot-surf · 2026-04-08T07:50:07Z

New job on instance eessi-bot-surf for repository eessi.io-2025.06-software
Building on: amd-zen4 and accelerator nvidia/cc90
Building for: x86_64/amd/zen4 and accelerator nvidia/cc90
Job dir: /projects/eessibot/eessi-bot-surf/jobs/2026.04/pr_1461/21651056

date	job status	comment
Apr 08 07:50:05 UTC 2026	submitted	job id `21651056` will be eligible to start in about 20 seconds
Apr 08 07:50:11 UTC 2026	received	job awaits launch by Slurm scheduler
Apr 08 07:50:35 UTC 2026	running	job `21651056` is running
Apr 08 10:32:20 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-21651056.out` ✅ no message matching `FATAL:` ❌ found message matching `ERROR:` ✅ no message matching `FAILED:` ❌ found message matching `required modules missing:` ❌ no message matching `No missing installations` ✅ found message matching `.tar.* created!` Artefacts `eessi-2025.06-software-linux-x86_64-amd-zen4-accel-nvidia-cc90-17756442470.tar.zst` size: 0 MiB (22 bytes) entries: 0 modules under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90/modules/all no module files in tarball software under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90/software no software packages in tarball reprod directories under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90/reprod no reprod directories in tarball other under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90 no other files in tarball
Apr 08 10:32:20 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ SKIP ] (1/4) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /526cd259 @BotBuildTests:gpu_h100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] (2/4) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /416eaee1 @BotBuildTests:gpu_h100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] (3/4) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node /73a202f1 @BotBuildTests:gpu_h100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (4/4) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node /7f04eb2b @BotBuildTests:gpu_h100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ PASSED ] Ran 0/4 test case(s) from 4 check(s) (0 failure(s), 4 skipped, 0 aborted) Details ✅ job output file `slurm-21651056.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

laraPPr · 2026-04-08T07:50:39Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-jsc for:arch=aarch64/nvidia/grace,accel=nvidia/cc90

eessi-bot-jsc · 2026-04-08T07:50:48Z

New job on instance eessi-bot-jsc for repository eessi.io-2025.06-software
Building on: nvidia-grace and accelerator nvidia/cc90
Building for: aarch64/nvidia/grace and accelerator nvidia/cc90
Job dir: /p/project1/ceasybuilders/eessibot/jobs/2026.04/pr_1461/14631307

date	job status	comment
Apr 08 07:50:46 UTC 2026	submitted	job id `14631307` awaits release by job manager
Apr 08 07:51:39 UTC 2026	released	job awaits launch by Slurm scheduler
Apr 08 07:52:43 UTC 2026	running	job `14631307` is running
Apr 08 08:20:39 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-14631307.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.* created!` Artefacts `eessi-2025.06-software-linux-aarch64-nvidia-grace-accel-nvidia-cc90-17756361090.tar.gz` size: 0 MiB (45 bytes) entries: 0 modules under 2025.06/software/linux/aarch64/nvidia/grace/accel/nvidia/cc90/modules/all no module files in tarball software under 2025.06/software/linux/aarch64/nvidia/grace/accel/nvidia/cc90/software no software packages in tarball reprod directories under 2025.06/software/linux/aarch64/nvidia/grace/accel/nvidia/cc90/reprod no reprod directories in tarball other under 2025.06/software/linux/aarch64/nvidia/grace/accel/nvidia/cc90 no other files in tarball
Apr 08 08:20:39 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ SKIP ] ( 1/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_node %device_type=gpu /6d7a17a9 @BotBuildTests:aarch64-nvidia-gh200+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 2/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_node %device_type=gpu /e9b09ad8 @BotBuildTests:aarch64-nvidia-gh200+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 3/13) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_node /a102bba0 @BotBuildTests:aarch64-nvidia-gh200+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 4/13) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_node /d58e51e9 @BotBuildTests:aarch64-nvidia-gh200+default [Skipping GPU test : only 1 GPU available for this test case] [ OK ] ( 5/13) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/22Jul2025-foss-2024a-kokkos %scale=1_node /ade8cad7 @BotBuildTests:aarch64-nvidia-gh200+default P: perf: 1516.812 timesteps/s (r:0, l:None, u:None) [ OK ] ( 6/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node %device_type=cpu /e4bf9965 @BotBuildTests:aarch64-nvidia-gh200+default P: latency: 2.49 us (r:0, l:None, u:None) [ OK ] ( 7/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_node %device_type=cpu /0c56f933 @BotBuildTests:aarch64-nvidia-gh200+default P: latency: 3.51 us (r:0, l:None, u:None) [ OK ] ( 8/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node %device_type=cpu /3da4890b @BotBuildTests:aarch64-nvidia-gh200+default P: latency: 6.28 us (r:0, l:None, u:None) [ OK ] ( 9/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_node %device_type=cpu /ca426177 @BotBuildTests:aarch64-nvidia-gh200+default P: latency: 11.18 us (r:0, l:None, u:None) [ OK ] (10/13) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node /3255009a @BotBuildTests:aarch64-nvidia-gh200+default P: latency: 0.26 us (r:0, l:None, u:None) [ OK ] (11/13) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_node /af5b485c @BotBuildTests:aarch64-nvidia-gh200+default P: latency: 0.33 us (r:0, l:None, u:None) [ OK ] (12/13) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node /59f4b331 @BotBuildTests:aarch64-nvidia-gh200+default P: bandwidth: 18962.99 MB/s (r:0, l:None, u:None) [ OK ] (13/13) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_node /ebc0c2c2 @BotBuildTests:aarch64-nvidia-gh200+default P: bandwidth: 18811.47 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 9/13 test case(s) from 13 check(s) (0 failure(s), 4 skipped, 0 aborted) Details ✅ job output file `slurm-14631307.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

laraPPr · 2026-04-08T09:41:48Z

@casparvl @trz42 Can someone with access to the grace hopper bot tell me what went wrong?

laraPPr · 2026-04-08T09:44:01Z

nevermind I have access

laraPPr · 2026-04-08T12:38:26Z

Can't get to the build logs so need this before I can continue

Fix copy buildlogs software-layer-scripts#198

laraPPr · 2026-04-09T13:21:42Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-jsc for:arch=aarch64/nvidia/grace,accel=nvidia/cc90

eessi-bot-jsc · 2026-04-09T13:21:51Z

New job on instance eessi-bot-jsc for repository eessi.io-2025.06-software
Building on: nvidia-grace and accelerator nvidia/cc90
Building for: aarch64/nvidia/grace and accelerator nvidia/cc90
Job dir: /p/project1/ceasybuilders/eessibot/jobs/2026.04/pr_1461/14635117

date	job status	comment
Apr 09 13:21:49 UTC 2026	submitted	job id `14635117` awaits release by job manager
Apr 09 13:22:09 UTC 2026	released	job awaits launch by Slurm scheduler
Apr 09 13:23:13 UTC 2026	running	job `14635117` is running
Apr 09 13:49:17 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-14635117.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.* created!` Artefacts `eessi-2025.06-software-linux-aarch64-nvidia-grace-accel-nvidia-cc90-17757422580.tar.gz` size: 0 MiB (45 bytes) entries: 0 modules under 2025.06/software/linux/aarch64/nvidia/grace/accel/nvidia/cc90/modules/all no module files in tarball software under 2025.06/software/linux/aarch64/nvidia/grace/accel/nvidia/cc90/software no software packages in tarball reprod directories under 2025.06/software/linux/aarch64/nvidia/grace/accel/nvidia/cc90/reprod no reprod directories in tarball other under 2025.06/software/linux/aarch64/nvidia/grace/accel/nvidia/cc90 no other files in tarball
Apr 09 13:49:17 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ SKIP ] ( 1/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_node %device_type=gpu /6d7a17a9 @BotBuildTests:aarch64-nvidia-gh200+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 2/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_node %device_type=gpu /e9b09ad8 @BotBuildTests:aarch64-nvidia-gh200+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 3/13) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_node /a102bba0 @BotBuildTests:aarch64-nvidia-gh200+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 4/13) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_node /d58e51e9 @BotBuildTests:aarch64-nvidia-gh200+default [Skipping GPU test : only 1 GPU available for this test case] [ OK ] ( 5/13) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/22Jul2025-foss-2024a-kokkos %scale=1_node /ade8cad7 @BotBuildTests:aarch64-nvidia-gh200+default P: perf: 1543.882 timesteps/s (r:0, l:None, u:None) [ OK ] ( 6/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node %device_type=cpu /e4bf9965 @BotBuildTests:aarch64-nvidia-gh200+default P: latency: 2.48 us (r:0, l:None, u:None) [ OK ] ( 7/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_node %device_type=cpu /0c56f933 @BotBuildTests:aarch64-nvidia-gh200+default P: latency: 3.5 us (r:0, l:None, u:None) [ OK ] ( 8/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node %device_type=cpu /3da4890b @BotBuildTests:aarch64-nvidia-gh200+default P: latency: 6.16 us (r:0, l:None, u:None) [ OK ] ( 9/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_node %device_type=cpu /ca426177 @BotBuildTests:aarch64-nvidia-gh200+default P: latency: 11.21 us (r:0, l:None, u:None) [ OK ] (10/13) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node /3255009a @BotBuildTests:aarch64-nvidia-gh200+default P: latency: 0.25 us (r:0, l:None, u:None) [ OK ] (11/13) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_node /af5b485c @BotBuildTests:aarch64-nvidia-gh200+default P: latency: 0.32 us (r:0, l:None, u:None) [ OK ] (12/13) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node /59f4b331 @BotBuildTests:aarch64-nvidia-gh200+default P: bandwidth: 18900.93 MB/s (r:0, l:None, u:None) [ OK ] (13/13) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_node /ebc0c2c2 @BotBuildTests:aarch64-nvidia-gh200+default P: bandwidth: 18468.4 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 9/13 test case(s) from 13 check(s) (0 failure(s), 4 skipped, 0 aborted) Details ✅ job output file `slurm-14635117.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

Thyre · 2026-04-13T07:17:54Z

Probably hitting the ARM Neon issues on aarch64 with Kokkos due to CUDA being lower than CUDA 13.1 (or 13.2, which officially fixes the issue)?

laraPPr · 2026-04-28T08:17:45Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-surf for:arch=x86_64/amd/zen4,accel=nvidia/cc90

eessi-bot-surf · 2026-04-28T08:17:53Z

New job on instance eessi-bot-surf for repository eessi.io-2025.06-software
Building on: amd-zen4 and accelerator nvidia/cc90
Building for: x86_64/amd/zen4 and accelerator nvidia/cc90
Job dir: /projects/eessibot/eessi-bot-surf/jobs/2026.04/pr_1461/22295496

date	job status	comment
Apr 28 08:17:51 UTC 2026	submitted	job id `22295496` will be eligible to start in about 20 seconds
Apr 28 08:18:01 UTC 2026	received	job awaits launch by Slurm scheduler
Apr 28 12:50:40 UTC 2026	running	job `22295496` is running
Apr 28 15:37:10 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-22295496.out` ✅ no message matching `FATAL:` ❌ found message matching `ERROR:` ✅ no message matching `FAILED:` ❌ found message matching `required modules missing:` ❌ no message matching `No missing installations` ✅ found message matching `.tar.* created!` Artefacts `eessi-2025.06-software-linux-x86_64-amd-zen4-accel-nvidia-cc90-17773905160.tar.zst` size: 0 MiB (22 bytes) entries: 0 modules under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90/modules/all no module files in tarball software under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90/software no software packages in tarball reprod directories under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90/reprod no reprod directories in tarball other under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90 no other files in tarball
Apr 28 15:37:10 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ SKIP ] ( 1/12) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5.1-gompi-2025b-CUDA-12.9.1 %scale=1_4_node %device_type=gpu /15d6e239 @BotBuildTests:gpu_h100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 2/12) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a-CUDA-12.8.0 %scale=1_4_node %device_type=gpu /5471f15a @BotBuildTests:gpu_h100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 3/12) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /526cd259 @BotBuildTests:gpu_h100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 4/12) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5.1-gompi-2025b-CUDA-12.9.1 %scale=1_4_node %device_type=gpu /1dc400ef @BotBuildTests:gpu_h100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 5/12) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a-CUDA-12.8.0 %scale=1_4_node %device_type=gpu /9715dde6 @BotBuildTests:gpu_h100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 6/12) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /416eaee1 @BotBuildTests:gpu_h100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 7/12) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5.1-gompi-2025b-CUDA-12.9.1 %scale=1_4_node /ed938ed4 @BotBuildTests:gpu_h100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] ( 8/12) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a-CUDA-12.8.0 %scale=1_4_node /8d24cea9 @BotBuildTests:gpu_h100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] ( 9/12) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node /73a202f1 @BotBuildTests:gpu_h100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (10/12) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5.1-gompi-2025b-CUDA-12.9.1 %scale=1_4_node /946648aa @BotBuildTests:gpu_h100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (11/12) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a-CUDA-12.8.0 %scale=1_4_node /9eb3f1e9 @BotBuildTests:gpu_h100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (12/12) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node /7f04eb2b @BotBuildTests:gpu_h100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ PASSED ] Ran 0/12 test case(s) from 12 check(s) (0 failure(s), 12 skipped, 0 aborted) Details ✅ job output file `slurm-22295496.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

casparvl · 2026-04-28T16:10:38Z

The last one went out of memory...

[2026-04-28T17:36:56.372] error: Detected 2 oom_kill events in StepId=22295496.batch. Some of the step tasks have been OOM Killed.

That surprises me, because the memory is quite sizeable on these nodes. These build jobs get 180G of memory:

$ sacct -j 22295496 --format "JobID,JobName,Partition,MaxRSS,AllocCPUS,AllocTRES%80,State%16,ExitCode,Elapsed"
JobID           JobName  Partition     MaxRSS  AllocCPUS                                                                        AllocTRES            State ExitCode    Elapsed
------------ ---------- ---------- ---------- ---------- -------------------------------------------------------------------------------- ---------------- -------- ----------
22295496     eessi-bot+   gpu_h100                    16        billing=192,cpu=16,gres/cpu=16,gres/gpu:h100=1,gres/gpu=1,mem=180G,node=1    OUT_OF_MEMORY    0:125   02:46:31
22295496.ba+      batch             84450705K         16                    cpu=16,gres/cpu=16,gres/gpu:h100=1,gres/gpu=1,mem=180G,node=1    OUT_OF_MEMORY    0:125   02:46:31
22295496.ex+     extern                               16        billing=192,cpu=16,gres/cpu=16,gres/gpu:h100=1,gres/gpu=1,mem=180G,node=1        COMPLETED      0:0   02:46:31

laraPPr · 2026-04-29T08:40:21Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-vsc-ugent for:arch=x86_64/amd/zen3,accel=nvidia/cc80

gpu-bot-ugent · 2026-04-29T08:40:28Z

New job on instance eessi-bot-vsc-ugent for repository eessi.io-2025.06-software
Building on: amd-zen3 and accelerator nvidia/cc80
Building for: x86_64/amd/zen3 and accelerator nvidia/cc80
Job dir: /scratch/gent/vo/002/gvo00211/SHARED/jobs/2026.04/pr_1461/15691625

date	job status	comment
Apr 29 08:40:26 UTC 2026	submitted	job id `15691625` awaits release by job manager
Apr 29 08:42:19 UTC 2026	released	job awaits launch by Slurm scheduler
Apr 29 08:44:24 UTC 2026	running	job `15691625` is running
Apr 29 12:03:25 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-15691625.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-accel-nvidia-cc80-17774635320.tar.zst` size: 240 MiB (251997362 bytes) entries: 5042 modules under 2025.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80/modules/all `LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.lua` software under 2025.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80/software `LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0` reprod directories under 2025.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80/reprod `LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0/20260429_115130UTC` other under 2025.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80 no other files in tarball
Apr 29 12:03:25 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ SKIP ] ( 1/12) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5.1-gompi-2025b-CUDA-12.9.1 %scale=1_4_node %device_type=gpu /15d6e239 @BotBuildTests:gpu_a100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 2/12) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a-CUDA-12.8.0 %scale=1_4_node %device_type=gpu /5471f15a @BotBuildTests:gpu_a100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 3/12) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /526cd259 @BotBuildTests:gpu_a100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 4/12) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5.1-gompi-2025b-CUDA-12.9.1 %scale=1_4_node %device_type=gpu /1dc400ef @BotBuildTests:gpu_a100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 5/12) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a-CUDA-12.8.0 %scale=1_4_node %device_type=gpu /9715dde6 @BotBuildTests:gpu_a100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 6/12) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /416eaee1 @BotBuildTests:gpu_a100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 7/12) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5.1-gompi-2025b-CUDA-12.9.1 %scale=1_4_node /ed938ed4 @BotBuildTests:gpu_a100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] ( 8/12) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a-CUDA-12.8.0 %scale=1_4_node /8d24cea9 @BotBuildTests:gpu_a100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] ( 9/12) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node /73a202f1 @BotBuildTests:gpu_a100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (10/12) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5.1-gompi-2025b-CUDA-12.9.1 %scale=1_4_node /946648aa @BotBuildTests:gpu_a100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (11/12) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a-CUDA-12.8.0 %scale=1_4_node /9eb3f1e9 @BotBuildTests:gpu_a100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (12/12) EESSI_OSU_pt2pt_GPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node /7f04eb2b @BotBuildTests:gpu_a100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ PASSED ] Ran 0/12 test case(s) from 12 check(s) (0 failure(s), 12 skipped, 0 aborted) Details ✅ job output file `slurm-15691625.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

laraPPr · 2026-05-05T13:23:50Z

bot: show_config

eessi-bot-aws · 2026-05-05T13:23:57Z

Instance eessi-bot-mc-aws is configured to build on:

Node type x86-64-generic:
- OS: linux
- CPU architecture: x86_64/generic
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type x86-64-haswell:
- OS: linux
- CPU architecture: x86_64/intel/haswell
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type x86-64-sapphirerapids:
- OS: linux
- CPU architecture: x86_64/intel/sapphirerapids
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type x86-64-skylake:
- OS: linux
- CPU architecture: x86_64/intel/skylake_avx512
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type x86-64-cascadelake:
- OS: linux
- CPU architecture: x86_64/intel/cascadelake
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type x86-64-icelake:
- OS: linux
- CPU architecture: x86_64/intel/icelake
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type x86-64-zen2:
- OS: linux
- CPU architecture: x86_64/amd/zen2
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type x86-64-zen3:
- OS: linux
- CPU architecture: x86_64/amd/zen3
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type x86-64-zen4:
- OS: linux
- CPU architecture: x86_64/amd/zen4
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type aarch64-generic:
- OS: linux
- CPU architecture: aarch64/generic
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type aarch64-neoverse_n1:
- OS: linux
- CPU architecture: aarch64/neoverse_n1
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type aarch64-neoverse_v1:
- OS: linux
- CPU architecture: aarch64/neoverse_v1
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type aarch64-graviton4:
- OS: linux
- CPU architecture: aarch64/aws/graviton4
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']

eessi-bot-deucalion · 2026-05-05T13:23:57Z

Instance eessi-bot-deucalion is configured to build on:

Node type a64fx:
- OS: linux
- CPU architecture: aarch64/a64fx
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']

gpu-bot-ugent · 2026-05-05T13:23:57Z

Instance eessi-bot-vsc-ugent is configured to build on:

Node type zen5:
- OS: linux
- CPU architecture: x86_64/amd/zen5
- Repositories: ['eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type gpu_a100:
- OS: linux
- CPU architecture: x86_64/amd/zen3
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
- Accelerators: nvidia/cc80
Node type gpu_v100:
- OS: linux
- CPU architecture: x86_64/intel/cascadelake
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
- Accelerators: nvidia/cc70

eessi-bot-surf · 2026-05-05T13:23:57Z

Instance eessi-bot-surf is configured to build on:

Node type cpu_zen2:
- OS: linux
- CPU architecture: x86_64/amd/zen2
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type cpu_zen4:
- OS: linux
- CPU architecture: x86_64/amd/zen4
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type gpu_a100:
- OS: linux
- CPU architecture: x86_64/intel/icelake
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
- Accelerators: nvidia/cc80
Node type gpu_h100:
- OS: linux
- CPU architecture: x86_64/amd/zen4
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
- Accelerators: nvidia/cc90

eessi-bot-rug · 2026-05-05T13:23:58Z

Instance eessi-bot-rug is configured to build on:

Node type gpu_rtx_pro_6000:
- OS: linux
- CPU architecture: x86_64/amd/zen5
- Repositories: ['eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
- Accelerators: nvidia/cc120
Node type gpu_a100:
- OS: linux
- CPU architecture: x86_64/intel/icelake
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
- Accelerators: nvidia/cc80
Node type gpu_v100:
- OS: linux
- CPU architecture: x86_64/intel/skylake_avx512
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
- Accelerators: nvidia/cc70

eessi-bot-jsc · 2026-05-05T13:23:58Z

Instance eessi-bot-jsc is configured to build on:

Node type aarch64-nvidia-grace:
- OS: linux
- CPU architecture: aarch64/nvidia/grace
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type aarch64-nvidia-gh200:
- OS: linux
- CPU architecture: aarch64/nvidia/grace
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
- Accelerators: nvidia/cc90

gpu-bot-ugent · 2026-05-05T13:23:58Z

Instance eessi-bot-vsc-ugent is configured to build on:

Node type gpu_rome_a100:
- OS: linux
- CPU architecture: x86_64/amd/zen2
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
- Accelerators: nvidia/cc80

eessi-bot-aws-eu-south · 2026-05-05T13:23:58Z

Instance eessi-bot-aws-eu-south is configured to build on:

Node type x86-64-zen4:
- OS: linux
- CPU architecture: x86_64/amd/zen4
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type x86-64-zen5:
- OS: linux
- CPU architecture: x86_64/amd/zen5
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
Node type aarch64-graviton4:
- OS: linux
- CPU architecture: aarch64/aws/graviton4
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']

laraPPr · 2026-05-05T13:59:43Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-vsc-ugent for:arch=x86_64/amd/zen2,accel=nvidia/cc80

laraPPr · 2026-05-05T14:31:13Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-vsc-ugent for:arch=x86_64/amd/zen2,accel=nvidia/cc80

gpu-bot-ugent · 2026-05-05T14:31:23Z

New job on instance eessi-bot-vsc-ugent for repository eessi.io-2025.06-software
Building on: amd-zen2 and accelerator nvidia/cc80
Building for: x86_64/amd/zen2 and accelerator nvidia/cc80
Job dir: /dodrio/scratch/projects/2025_600/SHARED/jobs/2026.05/pr_1461/13591760

date	job status	comment
May 05 14:31:21 UTC 2026	submitted	job id `13591760` awaits release by job manager
May 05 15:43:14 UTC 2026	released	job awaits launch by Slurm scheduler
May 05 15:45:19 UTC 2026	running	job `13591760` is running
May 05 18:29:08 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-13591760.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.* created!` Artefacts `eessi-2025.06-software-linux-x86_64-amd-zen2-accel-nvidia-cc80-17780056710.tar.zst` size: 0 MiB (22 bytes) entries: 0 modules under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80/modules/all no module files in tarball software under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80/software no software packages in tarball reprod directories under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80/reprod no reprod directories in tarball other under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80 no other files in tarball
May 05 18:29:08 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-13591760.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

laraPPr · 2026-05-07T15:03:58Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-vsc-ugent for:arch=x86_64/amd/zen2,accel=nvidia/cc80

gpu-bot-ugent · 2026-05-07T15:10:39Z

error: RPC failed; curl 56 OpenSSL SSL_read: Connection reset by peer, errno 104
error: 6324 bytes of body are still expected
fetch-pack: unexpected disconnect while reading sideband packet
fatal: early EOF
fatal: fetch-pack: invalid index-pack output

Unable to clone the target repository.
Tip: This could be a connection failure. Try again and if the issue remains check if the address is correct.

laraPPr · 2026-05-07T15:39:49Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-vsc-ugent for:arch=x86_64/amd/zen2,accel=nvidia/cc80

laraPPr · 2026-05-07T15:50:52Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-vsc-ugent for:arch=x86_64/amd/zen2,accel=nvidia/cc80

laraPPr · 2026-05-07T16:20:47Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-vsc-ugent for:arch=x86_64/amd/zen2,accel=nvidia/cc80

laraPPr · 2026-05-07T16:35:25Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-vsc-ugent for:arch=x86_64/amd/zen2,accel=nvidia/cc80

gpu-bot-ugent · 2026-05-07T16:35:33Z

New job on instance eessi-bot-vsc-ugent for repository eessi.io-2025.06-software
Building on: amd-zen2 and accelerator nvidia/cc80
Building for: x86_64/amd/zen2 and accelerator nvidia/cc80
Job dir: /dodrio/scratch/projects/2025_600/SHARED/jobs/2026.05/pr_1461/13597976

date	job status	comment
May 07 16:35:31 UTC 2026	submitted	job id `13597976` awaits release by job manager
May 07 16:37:18 UTC 2026	released	job awaits launch by Slurm scheduler
May 07 17:47:29 UTC 2026	running	job `13597976` is running
May 08 09:24:24 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-13597976.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.* created!` Artefacts `eessi-2025.06-software-linux-x86_64-amd-zen2-accel-nvidia-cc80-17781839110.tar.zst` size: 0 MiB (22 bytes) entries: 0 modules under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80/modules/all no module files in tarball software under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80/software no software packages in tarball reprod directories under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80/reprod no reprod directories in tarball other under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80 no other files in tarball
May 08 09:24:24 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-13597976.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

laraPPr · 2026-05-08T08:44:31Z

bot: show_config

eessi-bot-rug · 2026-05-08T08:44:38Z

Instance eessi-bot-rug is configured to build on:

Node type gpu_rtx_pro_6000:
- OS: linux
- CPU architecture: x86_64/amd/zen5
- Repositories: ['eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
- Accelerators: nvidia/cc120
Node type gpu_a100:
- OS: linux
- CPU architecture: x86_64/intel/icelake
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
- Accelerators: nvidia/cc80
Node type gpu_v100:
- OS: linux
- CPU architecture: x86_64/intel/skylake_avx512
- Repositories: ['eessi.io-2023.06-compat', 'eessi.io-2023.06-software', 'eessi.io-2025.06-compat', 'eessi.io-2025.06-software']
- Accelerators: nvidia/cc70

laraPPr · 2026-05-08T09:41:16Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-vsc-ugent for:arch=x86_64/amd/zen2,accel=nvidia/cc80

gpu-bot-ugent · 2026-05-08T09:41:26Z

New job on instance eessi-bot-vsc-ugent for repository eessi.io-2025.06-software
Building on: amd-zen2 and accelerator nvidia/cc80
Building for: x86_64/amd/zen2 and accelerator nvidia/cc80
Job dir: /dodrio/scratch/projects/2025_600/SHARED/jobs/2026.05/pr_1461/13599188

date	job status	comment
May 08 09:41:24 UTC 2026	submitted	job id `13599188` awaits release by job manager
May 08 09:42:32 UTC 2026	released	job awaits launch by Slurm scheduler
May 08 12:20:48 UTC 2026	running	job `13599188` is running

{2025.06}[foss/2024a] LAMMPS 22Jul2025 with CUDA

4b6840d

laraPPr added accel:nvidia 2025.06-software.eessi.io 2025.06 version of software.eessi.io labels Apr 7, 2026

laraPPr mentioned this pull request Apr 7, 2026

LAMMPS EESSI module does not use GPU on MN5-ACC #1449

Open

laraPPr commented Apr 7, 2026

View reviewed changes

Comment thread easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml Outdated

add missing double point

51fb21c

laraPPr commented Apr 8, 2026

View reviewed changes

Comment thread easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.2.1-2024a.yml Outdated

add commit for easyblock

c8fddd2

laraPPr added 2 commits April 28, 2026 10:14

use latest easybuild release

457685c

use latest easybuild release

47db9e3

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