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

[laraPPr]

• Add LAMMPS hook for dealing with CUDA families for kokkos builds software-layer-scripts#253
• LAMMPS: failing builds on ARM with CUDA and kokkos easybuilders/easybuild-easyconfigs#26400
• LAMMPS: workaround for ARM builds with CUDA and ARM easybuilders/easybuild-easyblocks#4175
• LAMMPS: set LD_PRELOAD for testing CUDA build without device present easybuilders/easybuild-easyblocks#4190

[laraPPr]

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]

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]

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

[eessi-bot-surf]

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 [\s*FAILED\s*].*Ran .* test case

[laraPPr]

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

[eessi-bot-surf]

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 [\s*FAILED\s*].*Ran .* test case

[laraPPr]

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

cuda-compute-capabilities                (E) = 9.0a

[laraPPr]

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]

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 [\s*FAILED\s*].*Ran .* test case

[casparvl]

@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]

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]

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]

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

[eessi-bot-surf]

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 [\s*FAILED\s*].*Ran .* test case

[laraPPr]

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

[eessi-bot-jsc]

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 [\s*FAILED\s*].*Ran .* test case

[laraPPr]

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

[laraPPr]

nevermind I have access

[laraPPr]

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

• Fix copy buildlogs software-layer-scripts#198

[laraPPr]

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

[eessi-bot-jsc]

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 [\s*FAILED\s*].*Ran .* test case

[Thyre]

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)?

[eessi-bot-aws]

New job on instance eessi-bot-mc-aws for repository eessi.io-2025.06-software
Building on: neoverse_v1
Building for: aarch64/neoverse_v1 and accelerator nvidia/cc80
Job dir: /project/def-users/SHARED/jobs/2026.07/pr_1461/177371

date	job status	comment
Jul 17 04:27:25 UTC 2026	submitted	job id 177371 awaits release by job manager
Jul 17 04:28:27 UTC 2026	released	job awaits launch by Slurm scheduler
Jul 17 04:34:33 UTC 2026	running	job 177371 is running
Jul 17 06:18:10 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file slurm-177371.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-neoverse_v1-accel-nvidia-cc80-17842689350.tar.zst size: 0 MiB (22 bytes) entries: 0 modules under 2025.06/software/linux/aarch64/neoverse_v1/accel/nvidia/cc80/modules/all no module files in tarball software under 2025.06/software/linux/aarch64/neoverse_v1/accel/nvidia/cc80/software no software packages in tarball reprod directories under 2025.06/software/linux/aarch64/neoverse_v1/accel/nvidia/cc80/reprod no reprod directories in tarball other under 2025.06/software/linux/aarch64/neoverse_v1/accel/nvidia/cc80 no other files in tarball
Jul 17 06:18:10 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ OK ] (1/6) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/22Jul2025-foss-2024a-kokkos %scale=1_node /ade8cad7 @BotBuildTests:aarch64-neoverse_v1+default P: perf: 969.582 timesteps/s (r:0, l:None, u:None) [ OK ] (2/6) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/22Jul2025_update4-foss-2025b-kokkos %scale=1_node /e121eb9c @BotBuildTests:aarch64-neoverse_v1+default P: perf: 943.709 timesteps/s (r:0, l:None, u:None) [ OK ] (3/6) 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-neoverse_v1+default P: latency: 1.61 us (r:0, l:None, u:None) [ OK ] (4/6) 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-neoverse_v1+default P: latency: 5.35 us (r:0, l:None, u:None) [ OK ] (5/6) 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-neoverse_v1+default P: latency: 0.26 us (r:0, l:None, u:None) [ OK ] (6/6) 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-neoverse_v1+default P: bandwidth: 29007.54 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 6/6 test case(s) from 6 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file slurm-177371.out ❌ found message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case

[laraPPr]

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws on:arch=neoverse_v1 for:arch=aarch64/neoverse_v1,accel=nvidia/cc80

[eessi-bot-aws]

New job on instance eessi-bot-mc-aws for repository eessi.io-2025.06-software
Building on: neoverse_v1
Building for: aarch64/neoverse_v1 and accelerator nvidia/cc80
Job dir: /project/def-users/SHARED/jobs/2026.07/pr_1461/177432

date	job status	comment
Jul 17 06:20:25 UTC 2026	submitted	job id 177432 awaits release by job manager
Jul 17 06:21:16 UTC 2026	released	job awaits launch by Slurm scheduler
Jul 17 06:22:20 UTC 2026	running	job 177432 is running
Jul 17 08:09:07 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file slurm-177432.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-neoverse_v1-accel-nvidia-cc80-17842754360.tar.zst size: 0 MiB (22 bytes) entries: 0 modules under 2025.06/software/linux/aarch64/neoverse_v1/accel/nvidia/cc80/modules/all no module files in tarball software under 2025.06/software/linux/aarch64/neoverse_v1/accel/nvidia/cc80/software no software packages in tarball reprod directories under 2025.06/software/linux/aarch64/neoverse_v1/accel/nvidia/cc80/reprod no reprod directories in tarball other under 2025.06/software/linux/aarch64/neoverse_v1/accel/nvidia/cc80 no other files in tarball
Jul 17 08:09:07 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ OK ] (1/6) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/22Jul2025-foss-2024a-kokkos %scale=1_node /ade8cad7 @BotBuildTests:aarch64-neoverse_v1+default P: perf: 965.751 timesteps/s (r:0, l:None, u:None) [ OK ] (2/6) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/22Jul2025_update4-foss-2025b-kokkos %scale=1_node /e121eb9c @BotBuildTests:aarch64-neoverse_v1+default P: perf: 942.564 timesteps/s (r:0, l:None, u:None) [ OK ] (3/6) 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-neoverse_v1+default P: latency: 1.63 us (r:0, l:None, u:None) [ OK ] (4/6) 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-neoverse_v1+default P: latency: 5.37 us (r:0, l:None, u:None) [ OK ] (5/6) 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-neoverse_v1+default P: latency: 0.25 us (r:0, l:None, u:None) [ OK ] (6/6) 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-neoverse_v1+default P: bandwidth: 28740.95 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 6/6 test case(s) from 6 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file slurm-177432.out ❌ found message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case

[laraPPr]

I have tested it on Julich and it is passing the ctests and sanity check their. For crosscompilation the ctests are failing with:

       Start 604: DihedralStyle:spherical

554/571 Test #604: DihedralStyle:spherical .........................***Failed    0.15 sec

/tmp/bot/easybuild/build/LAMMPS/22Jul2025/foss-2024a-kokkos-CUDA-12.6.0/easybuild_obj/test_dihedral_style: error while loading shared libraries: libcuda.so.1: cannot open shared object file: No such file or directory

So we should not run the ctests when cross compiling.

[laraPPr]

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

[bedroge]

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

[eessi-bot-jsc]

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/2026.07/pr_1461/15449685

date	job status	comment
Jul 20 08:51:56 UTC 2026	submitted	job id 15449685 awaits release by job manager
Jul 20 08:52:43 UTC 2026	released	job awaits launch by Slurm scheduler
Jul 20 08:53:47 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file slurm-15449685.out ✅ no message matching FATAL: ✅ no 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 Details No artefacts were created or found.
Jul 20 08:53:47 UTC 2026	test result	😢 FAILURE (click triangle for details) Reason Failed for unknown reason Details ✅ job output file slurm-15449685.out ✅ no message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case

[bedroge]

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

[eessi-bot-jsc]

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/2026.07/pr_1461/15450791

date	job status	comment
Jul 20 12:55:03 UTC 2026	submitted	job id 15450791 awaits release by job manager
Jul 20 12:55:31 UTC 2026	released	job awaits launch by Slurm scheduler
Jul 20 12:56:44 UTC 2026	running	job 15450791 is running
Jul 20 15:03:56 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file slurm-15450791.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-accel-nvidia-cc90-17845593470.tar.gz size: 290 MiB (304808858 bytes) entries: 5042 modules under 2025.06/software/linux/aarch64/nvidia/grace/accel/nvidia/cc90/modules/all LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.lua software under 2025.06/software/linux/aarch64/nvidia/grace/accel/nvidia/cc90/software LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0 reprod directories under 2025.06/software/linux/aarch64/nvidia/grace/accel/nvidia/cc90/reprod LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0/20260720_145358UTC other under 2025.06/software/linux/aarch64/nvidia/grace/accel/nvidia/cc90 no other files in tarball
Jul 20 15:03:56 UTC 2026	test result	😢 FAILURE (click triangle for details) Reason EESSI test suite produced failures. ReFrame Summary [ FAILED ] Ran 18/30 test case(s) from 30 check(s) (4 failure(s), 12 skipped, 0 aborted) Details ✅ job output file slurm-15450791.out ❌ found message matching ERROR: ❌ found message matching [\s*FAILED\s*].*Ran .* test case

[laraPPr]

This should fail if I have tracked down the correct problem where the hook is now stuck.
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws on:arch=zen2 for:arch=x86_64/amd/zen2,accel=nvidia/cc70+nvidia/cc90+nvidia/cc100+nvidia/cc120

[eessi-bot-aws]

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 and accelerator nvidia/cc70+nvidia/cc90+nvidia/cc100+nvidia/cc120
Job dir: /project/def-users/SHARED/jobs/2026.07/pr_1461/181318

date	job status	comment
Jul 29 10:34:20 UTC 2026	submitted	job id 181318 awaits release by job manager
Jul 29 10:34:46 UTC 2026	released	job awaits launch by Slurm scheduler
Jul 29 10:40:52 UTC 2026	running	job 181318 is running
Jul 29 18:16:46 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file slurm-181318.out ✅ no message matching FATAL: ❌ found message matching ERROR: ❌ found message matching FAILED: ❌ found 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-accel-nvidia-cc70-accel-nvidia-cc90-accel-nvidia-cc100-accel-nvidia-cc120-17853486910.tar.zst size: 0 MiB (234617 bytes) entries: 121 modules under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc70/modules/all no module files in tarball software under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc70/software no software packages in tarball reprod directories under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc70/reprod no reprod directories in tarball other under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc70 no other files in tarball modules under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc90/modules/all no module files in tarball software under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc90/software no software packages in tarball reprod directories under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc90/reprod no reprod directories in tarball other under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc90 no other files in tarball modules under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc100/modules/all LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.lua software under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc100/software LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0 reprod directories under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc100/reprod LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0/20260729_180857UTC other under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc100 no other files in tarball modules under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc120/modules/all LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.lua software under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc120/software LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0 reprod directories under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc120/reprod LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0/20260729_181100UTC other under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc120 no other files in tarball
Jul 29 18:16:46 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ OK ] (1/6) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/22Jul2025-foss-2024a-kokkos %scale=1_node /ade8cad7 @BotBuildTests:x86-64-zen2+default P: perf: 441.294 timesteps/s (r:0, l:None, u:None) [ OK ] (2/6) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/22Jul2025_update4-foss-2025b-kokkos %scale=1_node /e121eb9c @BotBuildTests:x86-64-zen2+default P: perf: 448.524 timesteps/s (r:0, l:None, u:None) [ OK ] (3/6) 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:x86-64-zen2+default P: latency: 1.37 us (r:0, l:None, u:None) [ OK ] (4/6) 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:x86-64-zen2+default P: latency: 2.03 us (r:0, l:None, u:None) [ OK ] (5/6) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node /3255009a @BotBuildTests:x86-64-zen2+default P: latency: 0.18 us (r:0, l:None, u:None) [ OK ] (6/6) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node /59f4b331 @BotBuildTests:x86-64-zen2+default P: bandwidth: 7642.01 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 6/6 test case(s) from 6 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file slurm-181318.out ❌ found message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case

[laraPPr]

See if build fails because of failing to build containers after mitgation of cve
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-vsc-ugent for:arch=x86_64/intel/cascadelake,accel=nvidia/cc70

[gpu-bot-ugent]

New job on instance eessi-bot-vsc-ugent for repository eessi.io-2025.06-software
Building on: intel-cascadelake and accelerator nvidia/cc70
Building for: x86_64/intel/cascadelake and accelerator nvidia/cc70
Job dir: /scratch/gent/vo/002/gvo00211/SHARED/jobs/2026.07/pr_1461/40840937

date	job status	comment
Jul 30 10:25:53 UTC 2026	submitted	job id 40840937 awaits release by job manager
Jul 30 10:27:58 UTC 2026	released	job awaits launch by Slurm scheduler
Jul 30 12:30:14 UTC 2026	running	job 40840937 is running
Jul 30 15:25:27 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file slurm-40840937.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-accel-nvidia-cc70-17854248790.tar.zst size: 243 MiB (255173640 bytes) entries: 5042 modules under 2025.06/software/linux/x86_64/intel/cascadelake/accel/nvidia/cc70/modules/all LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.lua software under 2025.06/software/linux/x86_64/intel/cascadelake/accel/nvidia/cc70/software LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0 reprod directories under 2025.06/software/linux/x86_64/intel/cascadelake/accel/nvidia/cc70/reprod LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0/20260730_152040UTC other under 2025.06/software/linux/x86_64/intel/cascadelake/accel/nvidia/cc70 no other files in tarball
Jul 30 15:25:27 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_v100+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_v100+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_v100+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_v100+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_v100+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_v100+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_v100+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_v100+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_v100+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_v100+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_v100+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_v100+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-40840937.out ✅ no message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case

[laraPPr]

Try croscompiling with the new easyblock
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws on:arch=zen2 for:arch=x86_64/amd/zen2,accel=nvidia/cc70+nvidia/cc90+nvidia/cc100+nvidia/cc120

[eessi-bot-aws]

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 and accelerator nvidia/cc70+nvidia/cc90+nvidia/cc100+nvidia/cc120
Job dir: /project/def-users/SHARED/jobs/2026.08/pr_1461/182980

date	job status	comment
Aug 03 08:48:36 UTC 2026	submitted	job id 182980 awaits release by job manager
Aug 03 08:49:27 UTC 2026	released	job awaits launch by Slurm scheduler
Aug 03 08:55:32 UTC 2026	running	job 182980 is running
Aug 03 17:58:03 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file slurm-182980.out ✅ no message matching FATAL: ❌ found message matching ERROR: ❌ found message matching FAILED: ❌ found 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-accel-nvidia-cc70-accel-nvidia-cc90-accel-nvidia-cc100-accel-nvidia-cc120-17857796730.tar.zst size: 0 MiB (236587 bytes) entries: 121 modules under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc70/modules/all no module files in tarball software under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc70/software no software packages in tarball reprod directories under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc70/reprod no reprod directories in tarball other under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc70 no other files in tarball modules under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc90/modules/all no module files in tarball software under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc90/software no software packages in tarball reprod directories under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc90/reprod no reprod directories in tarball other under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc90 no other files in tarball modules under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc100/modules/all LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.lua software under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc100/software LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0 reprod directories under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc100/reprod LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0/20260803_175213UTC other under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc100 no other files in tarball modules under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc120/modules/all LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.lua software under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc120/software LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0 reprod directories under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc120/reprod LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0/20260803_175403UTC other under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc120 no other files in tarball
Aug 03 17:58:03 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ OK ] (1/6) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/22Jul2025-foss-2024a-kokkos %scale=1_node /ade8cad7 @BotBuildTests:x86-64-zen2+default P: perf: 441.4 timesteps/s (r:0, l:None, u:None) [ OK ] (2/6) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/22Jul2025_update4-foss-2025b-kokkos %scale=1_node /e121eb9c @BotBuildTests:x86-64-zen2+default P: perf: 445.581 timesteps/s (r:0, l:None, u:None) [ OK ] (3/6) 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:x86-64-zen2+default P: latency: 1.82 us (r:0, l:None, u:None) [ OK ] (4/6) 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:x86-64-zen2+default P: latency: 2.06 us (r:0, l:None, u:None) [ OK ] (5/6) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node /3255009a @BotBuildTests:x86-64-zen2+default P: latency: 0.17 us (r:0, l:None, u:None) [ OK ] (6/6) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node /59f4b331 @BotBuildTests:x86-64-zen2+default P: bandwidth: 7818.02 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 6/6 test case(s) from 6 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file slurm-182980.out ❌ found message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case

[laraPPr]

With the LD_PRELOAD added only 3 ctest are failing

The following tests FAILED:

         51 - LibraryOpen (Subprocess aborted)

         54 - LibraryProperties (Failed)

         63 - LammpsClass (Subprocess aborted)

Errors while running CTest

[laraPPr]

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-mc-aws on:arch=zen2 for:arch=x86_64/amd/zen2,accel=nvidia/cc70+nvidia/cc90+nvidia/cc100+nvidia/cc120

[eessi-bot-aws]

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 and accelerator nvidia/cc70+nvidia/cc90+nvidia/cc100+nvidia/cc120
Job dir: /project/def-users/SHARED/jobs/2026.08/pr_1461/186070

date	job status	comment
Aug 12 13:02:34 UTC 2026	submitted	job id 186070 awaits release by job manager
Aug 12 13:02:53 UTC 2026	released	job awaits launch by Slurm scheduler
Aug 12 13:08:07 UTC 2026	running	job 186070 is running
Aug 12 21:56:14 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file slurm-186070.out ✅ no message matching FATAL: ❌ found message matching ERROR: ❌ found message matching FAILED: ❌ found 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-accel-nvidia-cc70-accel-nvidia-cc90-accel-nvidia-cc100-accel-nvidia-cc120-17865715820.tar.zst size: 0 MiB (296225 bytes) entries: 121 modules under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc70/modules/all no module files in tarball software under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc70/software no software packages in tarball reprod directories under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc70/reprod no reprod directories in tarball other under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc70 no other files in tarball modules under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc90/modules/all no module files in tarball software under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc90/software no software packages in tarball reprod directories under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc90/reprod no reprod directories in tarball other under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc90 no other files in tarball modules under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc100/modules/all LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.lua software under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc100/software LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0 reprod directories under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc100/reprod LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0/20260812_215113UTC other under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc100 no other files in tarball modules under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc120/modules/all LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.lua software under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc120/software LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0 reprod directories under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc120/reprod LAMMPS/22Jul2025-foss-2024a-kokkos-CUDA-12.6.0/20260812_215237UTC other under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc120 no other files in tarball
Aug 12 21:56:14 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ OK ] (1/6) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/22Jul2025-foss-2024a-kokkos %scale=1_node /ade8cad7 @BotBuildTests:x86-64-zen2+default P: perf: 428.78 timesteps/s (r:0, l:None, u:None) [ OK ] (2/6) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/22Jul2025_update4-foss-2025b-kokkos %scale=1_node /e121eb9c @BotBuildTests:x86-64-zen2+default P: perf: 436.587 timesteps/s (r:0, l:None, u:None) [ OK ] (3/6) 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:x86-64-zen2+default P: latency: 1.4 us (r:0, l:None, u:None) [ OK ] (4/6) 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:x86-64-zen2+default P: latency: 2.05 us (r:0, l:None, u:None) [ OK ] (5/6) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node /3255009a @BotBuildTests:x86-64-zen2+default P: latency: 0.18 us (r:0, l:None, u:None) [ OK ] (6/6) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a %scale=1_node /59f4b331 @BotBuildTests:x86-64-zen2+default P: bandwidth: 7432.06 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 6/6 test case(s) from 6 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file slurm-186070.out ❌ found message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case

[laraPPr]

It is now getting to the sanity check. Setting LD_PRELOAD in the sanity check does not seem to work. However I ran them again because another issue is popping up with the newest easybuild. I think it is related to this change. easybuilders/easybuild-framework#5161. So crosscompiling might be broken for the newest easybuild version @Flamefire do you maybe know what might cause this?

== FAILED: Installation ended unsuccessfully: Failed to execute CUDA sanity

check: cuobjdump not found

[ocaisa]

Caspar is attempting to fix this in EESSI/software-layer-scripts#288

[Flamefire]

It is now getting to the sanity check. Setting LD_PRELOAD in the sanity check does not seem to work. However I ran them again because another issue is popping up with the newest easybuild. I think it is related to this change. easybuilders/easybuild-framework#5161. So crosscompiling might be broken for the newest easybuild version @Flamefire do you maybe know what might cause this?

It's at least not caused by that PR which actually makes it execute cuobjdump less often.
I'm not sure I fully understand the issue. CUDA is a (full) dependency of LAMMPS. Why is it not available in the sanity check anymore? Does it get removed by EESSI hooks? If so can sanity-check commands actually succeed when they rely on CUDA? Or how is that handled? @casparvl

[laraPPr]

@ocaisa Caspar just left on holiday for a coupld weeks. Should someone else try to pick it up. Or are we gonna leave it until he gets back?

[ocaisa]

@Flamefire CUDA is demoted to a build dependency in the hooks and we rely on rpath to give us access to the runtime libraries (this avoids having to have a full CUDA installation just to execute CUDA code)

[Flamefire]

So it is only an EESSI issue, not an EasyBuild issue.
The solution to load the CUDA module for the sanity check should work. Not sure if this could break anything in cross-compilation mode.

[laraPPr]

So it is only an EESSI issue, not an EasyBuild issue. The solution to load the CUDA module for the sanity check should work. Not sure if this could break anything in cross-compilation mode.

Loading the module during the sanity check works. In the case of LAMMPS because the tests do not actually use the GPUs if there are non present. If Caspar's work around works not sure. I was just testing it interactively rerunning the tests after loading the CUDA module.