{2025.06}[2024a] ESPResSo 4.2.2 with CUDA 12.6.0

[bedroge]

Needs some CPU-only deps to be installed first:

3 out of 102 required modules missing:

* Pint/0.24.4-GCCcore-13.3.0 (Pint-0.24.4-GCCcore-13.3.0.eb)
* Boost.MPI/1.85.0-gompi-2024a (Boost.MPI-1.85.0-gompi-2024a.eb)
* ESPResSo/4.2.2-foss-2024a-CUDA-12.6.0 (ESPResSo-4.2.2-foss-2024a-CUDA-12.6.0.eb)

See #1566.

[bedroge]

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-jsc for:arch=aarch64/nvidia/grace,accel=nvidia/cc90
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-rug for:arch=x86_64/intel/skylake_avx512,accel=nvidia/cc70
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-rug for:arch=x86_64/amd/zen5,accel=nvidia/cc120

[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/2026.08/pr_1565/15518564

date	job status	comment
Aug 11 14:26:25 UTC 2026	submitted	job id 15518564 awaits release by job manager
Aug 11 14:27:17 UTC 2026	released	job awaits launch by Slurm scheduler
Aug 11 14:28:21 UTC 2026	running	job 15518564 is running
Aug 11 15:27:32 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file slurm-15518564.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-cc90-17864616450.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
Aug 11 15:27:32 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-15518564.out ❌ found message matching ERROR: ❌ found message matching [\s*FAILED\s*].*Ran .* test case

[eessi-bot-rug]

New job on instance eessi-bot-rug for repository eessi.io-2025.06-software
Building on: intel-skylake_avx512 and accelerator nvidia/cc70
Building for: x86_64/intel/skylake_avx512 and accelerator nvidia/cc70
Job dir: /scratch/hb-eessibot/SHARED/jobs/2026.08/pr_1565/30575897

date	job status	comment
Aug 11 14:26:29 UTC 2026	submitted	job id 30575897 awaits release by job manager
Aug 11 14:27:06 UTC 2026	released	job awaits launch by Slurm scheduler
Aug 11 14:29:10 UTC 2026	running	job 30575897 is running
Aug 11 15:28:27 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file slurm-30575897.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-intel-skylake_avx512-accel-nvidia-cc70-17864620700.tar.zst size: 0 MiB (22 bytes) entries: 0 modules under 2025.06/software/linux/x86_64/intel/skylake_avx512/accel/nvidia/cc70/modules/all no module files in tarball software under 2025.06/software/linux/x86_64/intel/skylake_avx512/accel/nvidia/cc70/software no software packages in tarball reprod directories under 2025.06/software/linux/x86_64/intel/skylake_avx512/accel/nvidia/cc70/reprod no reprod directories in tarball other under 2025.06/software/linux/x86_64/intel/skylake_avx512/accel/nvidia/cc70 no other files in tarball
Aug 11 15:28:27 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-30575897.out ❌ found message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case

[eessi-bot-rug]

New job on instance eessi-bot-rug for repository eessi.io-2025.06-software
Building on: amd-zen5 and accelerator nvidia/cc120
Building for: x86_64/amd/zen5 and accelerator nvidia/cc120
Job dir: /scratch/hb-eessibot/SHARED/jobs/2026.08/pr_1565/30575898

date	job status	comment
Aug 11 14:26:37 UTC 2026	submitted	job id 30575898 awaits release by job manager
Aug 11 14:27:02 UTC 2026	released	job awaits launch by Slurm scheduler
Aug 11 14:33:18 UTC 2026	running	job 30575898 is running
Aug 11 14:35:23 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file slurm-30575898.out ✅ no message matching FATAL: ✅ no message matching ERROR: ✅ no message matching FAILED: ✅ no message matching required modules missing: ✅ found message(s) matching No missing installations ✅ found message matching .tar.* created! Artefacts eessi-2025.06-software-linux-x86_64-amd-zen5-accel-nvidia-cc120-17864588420.tar.zst size: 0 MiB (136233 bytes) entries: 35 modules under 2025.06/software/linux/x86_64/amd/zen5/accel/nvidia/cc120/modules/all ESPResSo/4.2.2-foss-2024a-CUDA-12.6.0.lua software under 2025.06/software/linux/x86_64/amd/zen5/accel/nvidia/cc120/software ESPResSo/4.2.2-foss-2024a-CUDA-12.6.0 reprod directories under 2025.06/software/linux/x86_64/amd/zen5/accel/nvidia/cc120/reprod ESPResSo/4.2.2-foss-2024a-CUDA-12.6.0/20260811_143357UTC other under 2025.06/software/linux/x86_64/amd/zen5/accel/nvidia/cc120 no other files in tarball
Aug 11 14:35:23 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-30575898.out ❌ found message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case