{2025.06}[2025b] GROMACS 2026.2 with CUDA 12.9.1 by bedroge · Pull Request #1524 · EESSI/software-layer

bedroge · 2026-06-16T18:16:14Z

No description provided.

bedroge · 2026-06-16T18:20:37Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-surf for:arch=x86_64/intel/icelake,accel=nvidia/cc80
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-surf for:arch=x86_64/amd/zen4,accel=nvidia/cc90

eessi-bot-surf · 2026-06-16T18:20:51Z

New job on instance eessi-bot-surf for repository eessi.io-2025.06-software
Building on: intel-icelake and accelerator nvidia/cc80
Building for: x86_64/intel/icelake and accelerator nvidia/cc80
Job dir: /projects/eessibot/eessi-bot-surf/jobs/2026.06/pr_1524/23938832

date	job status	comment
Jun 16 18:20:43 UTC 2026	submitted	job id `23938832` will be eligible to start in about 20 seconds
Jun 16 18:21:06 UTC 2026	received	job awaits launch by Slurm scheduler
Jun 16 18:22:03 UTC 2026	running	job `23938832` is running
Jun 16 19:26:33 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-23938832.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-icelake-accel-nvidia-cc80-17816377520.tar.zst` size: 34 MiB (36361737 bytes) entries: 802 modules under 2025.06/software/linux/x86_64/intel/icelake/accel/nvidia/cc80/modules/all `GROMACS/2026.2-foss-2025b-CUDA-12.9.1.lua` software under 2025.06/software/linux/x86_64/intel/icelake/accel/nvidia/cc80/software `GROMACS/2026.2-foss-2025b-CUDA-12.9.1` reprod directories under 2025.06/software/linux/x86_64/intel/icelake/accel/nvidia/cc80/reprod `GROMACS/2026.2-foss-2025b-CUDA-12.9.1/20260616_192206UTC` other under 2025.06/software/linux/x86_64/intel/icelake/accel/nvidia/cc80 no other files in tarball
Jun 16 19:26:33 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/7.5.1-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 ] ( 2/13) 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 ] ( 3/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /526cd259 @BotBuildTests:gpu_a100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 4/13) 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 ] ( 5/13) 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 ] ( 6/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /416eaee1 @BotBuildTests:gpu_a100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 7/13) 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 ] ( 8/13) 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 ] ( 9/13) 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_4_node /73a202f1 @BotBuildTests:gpu_a100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (10/13) 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 ] (11/13) 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 ] (12/13) 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_4_node /7f04eb2b @BotBuildTests:gpu_a100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ OK ] (13/13) EESSI_GROMACS %benchmark_info=HECBioSim/Crambin %nb_impl=gpu %scale=1_4_node %module_name=GROMACS/2025.4-foss-2025b-CUDA-12.9.1 /74070d92 @BotBuildTests:gpu_a100+default P: perf: 155.334 ns/day (r:0, l:None, u:None) [ PASSED ] Ran 1/13 test case(s) from 13 check(s) (0 failure(s), 12 skipped, 0 aborted) Details ✅ job output file `slurm-23938832.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

eessi-bot-surf · 2026-06-16T18:20:59Z

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/2026.06/pr_1524/23938834

date	job status	comment
Jun 16 18:20:57 UTC 2026	submitted	job id `23938834` will be eligible to start in about 20 seconds
Jun 16 18:21:20 UTC 2026	received	job awaits launch by Slurm scheduler
Jun 16 18:21:24 UTC 2026	running	job `23938834` is running
Jun 16 19:21:33 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-23938834.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-zen4-accel-nvidia-cc90-17816375500.tar.zst` size: 34 MiB (36068494 bytes) entries: 802 modules under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90/modules/all `GROMACS/2026.2-foss-2025b-CUDA-12.9.1.lua` software under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90/software `GROMACS/2026.2-foss-2025b-CUDA-12.9.1` reprod directories under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90/reprod `GROMACS/2026.2-foss-2025b-CUDA-12.9.1/20260616_191847UTC` other under 2025.06/software/linux/x86_64/amd/zen4/accel/nvidia/cc90 no other files in tarball
Jun 16 19:21:33 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/7.5.1-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 ] ( 2/13) 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 ] ( 3/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /526cd259 @BotBuildTests:gpu_h100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 4/13) 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 ] ( 5/13) 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 ] ( 6/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /416eaee1 @BotBuildTests:gpu_h100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 7/13) 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 ] ( 8/13) 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 ] ( 9/13) 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_4_node /73a202f1 @BotBuildTests:gpu_h100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (10/13) 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 ] (11/13) 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 ] (12/13) 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_4_node /7f04eb2b @BotBuildTests:gpu_h100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ OK ] (13/13) EESSI_GROMACS %benchmark_info=HECBioSim/Crambin %nb_impl=gpu %scale=1_4_node %module_name=GROMACS/2025.4-foss-2025b-CUDA-12.9.1 /74070d92 @BotBuildTests:gpu_h100+default P: perf: 172.416 ns/day (r:0, l:None, u:None) [ PASSED ] Ran 1/13 test case(s) from 13 check(s) (0 failure(s), 12 skipped, 0 aborted) Details ✅ job output file `slurm-23938834.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

bedroge · 2026-06-16T19:34:41Z

bot: build repo:eessi.io-2025.06-software instance:eessi-bot-vsc-ugent for:arch=x86_64/intel/cascadelake,accel=nvidia/cc70
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-vsc-ugent for:arch=x86_64/amd/zen3,accel=nvidia/cc80
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
bot: build repo:eessi.io-2025.06-software instance:eessi-bot-vsc-ugent for:arch=x86_64/amd/zen2,accel=nvidia/cc80

eessi-bot-jsc · 2026-06-16T19:34:59Z

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/2026.06/pr_1524/15066113

date	job status	comment
Jun 16 19:34:56 UTC 2026	submitted	job id `15066113` awaits release by job manager
Jun 16 19:35:56 UTC 2026	released	job awaits launch by Slurm scheduler
Jun 16 19:37:00 UTC 2026	running	job `15066113` is running
Jun 16 20:53:52 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-15066113.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-cc90-17816422430.tar.gz` size: 34 MiB (35993033 bytes) entries: 802 modules under 2025.06/software/linux/aarch64/nvidia/grace/accel/nvidia/cc90/modules/all `GROMACS/2026.2-foss-2025b-CUDA-12.9.1.lua` software under 2025.06/software/linux/aarch64/nvidia/grace/accel/nvidia/cc90/software `GROMACS/2026.2-foss-2025b-CUDA-12.9.1` reprod directories under 2025.06/software/linux/aarch64/nvidia/grace/accel/nvidia/cc90/reprod `GROMACS/2026.2-foss-2025b-CUDA-12.9.1/20260616_203556UTC` other under 2025.06/software/linux/aarch64/nvidia/grace/accel/nvidia/cc90 no other files in tarball
Jun 16 20:53:52 UTC 2026	test result	😢 FAILURE (click triangle for details) Reason EESSI test suite produced failures. ReFrame Summary [ FAILED ] Ran 22/34 test case(s) from 34 check(s) (4 failure(s), 12 skipped, 0 aborted) Details ✅ job output file `slurm-15066113.out` ❌ found message matching `ERROR:` ❌ found message matching `[\sFAILED\s].Ran . test case`

gpu-bot-ugent · 2026-06-16T19:35:00Z

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/2026.06/pr_1524/40834908

date	job status	comment
Jun 16 19:34:58 UTC 2026	submitted	job id `40834908` awaits release by job manager
Jun 16 19:37:13 UTC 2026	released	job awaits launch by Slurm scheduler
Jun 16 19:39:17 UTC 2026	running	job `40834908` is running
Jun 16 20:47:39 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-40834908.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-cc70-17816424650.tar.zst` size: 32 MiB (34477562 bytes) entries: 802 modules under 2025.06/software/linux/x86_64/intel/cascadelake/accel/nvidia/cc70/modules/all `GROMACS/2026.2-foss-2025b-CUDA-12.9.1.lua` software under 2025.06/software/linux/x86_64/intel/cascadelake/accel/nvidia/cc70/software `GROMACS/2026.2-foss-2025b-CUDA-12.9.1` reprod directories under 2025.06/software/linux/x86_64/intel/cascadelake/accel/nvidia/cc70/reprod `GROMACS/2026.2-foss-2025b-CUDA-12.9.1/20260616_204038UTC` other under 2025.06/software/linux/x86_64/intel/cascadelake/accel/nvidia/cc70 no other files in tarball
Jun 16 20:47:39 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/7.5.1-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 ] ( 2/13) 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 ] ( 3/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /526cd259 @BotBuildTests:gpu_v100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 4/13) 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 ] ( 5/13) 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 ] ( 6/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /416eaee1 @BotBuildTests:gpu_v100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 7/13) 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 ] ( 8/13) 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 ] ( 9/13) 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_4_node /73a202f1 @BotBuildTests:gpu_v100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (10/13) 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 ] (11/13) 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 ] (12/13) 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_4_node /7f04eb2b @BotBuildTests:gpu_v100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ OK ] (13/13) EESSI_GROMACS %benchmark_info=HECBioSim/Crambin %nb_impl=gpu %scale=1_4_node %module_name=GROMACS/2025.4-foss-2025b-CUDA-12.9.1 /74070d92 @BotBuildTests:gpu_v100+default P: perf: 210.9 ns/day (r:0, l:None, u:None) [ PASSED ] Ran 1/13 test case(s) from 13 check(s) (0 failure(s), 12 skipped, 0 aborted) Details ✅ job output file `slurm-40834908.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

gpu-bot-ugent · 2026-06-16T19:35:06Z

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/2026.06/pr_1524/15706311

date	job status	comment
Jun 16 19:35:04 UTC 2026	submitted	job id `15706311` awaits release by job manager
Jun 16 19:37:05 UTC 2026	released	job awaits launch by Slurm scheduler
Jun 16 20:18:26 UTC 2026	running	job `15706311` is running
Jun 16 21:24:21 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-15706311.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-zen3-accel-nvidia-cc80-17816448130.tar.zst` size: 0 MiB (22 bytes) entries: 0 modules under 2025.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80/modules/all no module files in tarball software under 2025.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80/software no software packages in tarball reprod directories under 2025.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80/reprod no reprod directories in tarball other under 2025.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80 no other files in tarball
Jun 16 21:24:21 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-15706311.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

gpu-bot-ugent · 2026-06-16T19:35:09Z

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/2026.06/pr_1524/13795949

date	job status	comment
Jun 16 19:35:05 UTC 2026	submitted	job id `13795949` awaits release by job manager
Jun 16 19:36:43 UTC 2026	released	job awaits launch by Slurm scheduler
Jun 16 19:38:47 UTC 2026	running	job `13795949` is running
Jun 16 20:42:37 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-13795949.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-zen2-accel-nvidia-cc80-17816422620.tar.zst` size: 35 MiB (37615894 bytes) entries: 802 modules under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80/modules/all `GROMACS/2026.2-foss-2025b-CUDA-12.9.1.lua` software under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80/software `GROMACS/2026.2-foss-2025b-CUDA-12.9.1` reprod directories under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80/reprod `GROMACS/2026.2-foss-2025b-CUDA-12.9.1/20260616_203715UTC` other under 2025.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80 no other files in tarball
Jun 16 20:42:37 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/7.5.1-gompi-2025b-CUDA-12.9.1 %scale=1_4_node %device_type=gpu /15d6e239 @BotBuildTests:gpu_rome_a100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 2/13) 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_rome_a100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 3/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /526cd259 @BotBuildTests:gpu_rome_a100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 4/13) 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_rome_a100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 5/13) 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_rome_a100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 6/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_4_node %device_type=gpu /416eaee1 @BotBuildTests:gpu_rome_a100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 7/13) 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_rome_a100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] ( 8/13) 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_rome_a100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] ( 9/13) 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_4_node /73a202f1 @BotBuildTests:gpu_rome_a100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (10/13) 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_rome_a100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (11/13) 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_rome_a100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (12/13) 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_4_node /7f04eb2b @BotBuildTests:gpu_rome_a100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ OK ] (13/13) EESSI_GROMACS %benchmark_info=HECBioSim/Crambin %nb_impl=gpu %scale=1_4_node %module_name=GROMACS/2025.4-foss-2025b-CUDA-12.9.1 /74070d92 @BotBuildTests:gpu_rome_a100+default P: perf: 218.168 ns/day (r:0, l:None, u:None) [ PASSED ] Ran 1/13 test case(s) from 13 check(s) (0 failure(s), 12 skipped, 0 aborted) Details ✅ job output file `slurm-13795949.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

eessi-bot-rug · 2026-06-16T19:35:15Z

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/2026.06/pr_1524/29591323

date	job status	comment
Jun 16 19:35:12 UTC 2026	submitted	job id `29591323` awaits release by job manager
Jun 16 19:36:26 UTC 2026	released	job awaits launch by Slurm scheduler
Jun 16 19:54:31 UTC 2026	running	job `29591323` is running
Jun 16 20:53:50 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-29591323.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-skylake_avx512-accel-nvidia-cc70-17816428120.tar.zst` size: 32 MiB (33848932 bytes) entries: 802 modules under 2025.06/software/linux/x86_64/intel/skylake_avx512/accel/nvidia/cc70/modules/all `GROMACS/2026.2-foss-2025b-CUDA-12.9.1.lua` software under 2025.06/software/linux/x86_64/intel/skylake_avx512/accel/nvidia/cc70/software `GROMACS/2026.2-foss-2025b-CUDA-12.9.1` reprod directories under 2025.06/software/linux/x86_64/intel/skylake_avx512/accel/nvidia/cc70/reprod `GROMACS/2026.2-foss-2025b-CUDA-12.9.1/20260616_204625UTC` other under 2025.06/software/linux/x86_64/intel/skylake_avx512/accel/nvidia/cc70 no other files in tarball
Jun 16 20:53:50 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/7.5.1-gompi-2025b-CUDA-12.9.1 %scale=1_2_node %device_type=gpu /495ccd0c @BotBuildTests:gpu_v100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 2/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a-CUDA-12.8.0 %scale=1_2_node %device_type=gpu /61fda20d @BotBuildTests:gpu_v100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 3/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_2_node %device_type=gpu /e3d4ae3b @BotBuildTests:gpu_v100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 4/13) 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_2_node %device_type=gpu /ce7fe725 @BotBuildTests:gpu_v100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 5/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2025a-CUDA-12.8.0 %scale=1_2_node %device_type=gpu /5c339fc9 @BotBuildTests:gpu_v100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 6/13) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2024a-CUDA-12.6.0 %scale=1_2_node %device_type=gpu /b4bd1071 @BotBuildTests:gpu_v100+default [Skipping GPU test : only 1 GPU available for this test case] [ SKIP ] ( 7/13) 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_2_node /c3881e1d @BotBuildTests:gpu_v100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] ( 8/13) 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_2_node /5f02f86c @BotBuildTests:gpu_v100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] ( 9/13) 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_2_node /530b49da @BotBuildTests:gpu_v100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (10/13) 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_2_node /f49f730d @BotBuildTests:gpu_v100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (11/13) 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_2_node /c412ac42 @BotBuildTests:gpu_v100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ SKIP ] (12/13) 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_2_node /18861056 @BotBuildTests:gpu_v100+default [Skipping test : 1 GPU(s) available for this test case, need exactly 2] [ OK ] (13/13) EESSI_GROMACS %benchmark_info=HECBioSim/Crambin %nb_impl=gpu %scale=1_2_node %module_name=GROMACS/2025.4-foss-2025b-CUDA-12.9.1 /bc0431e9 @BotBuildTests:gpu_v100+default P: perf: 122.621 ns/day (r:0, l:None, u:None) [ PASSED ] Ran 1/13 test case(s) from 13 check(s) (0 failure(s), 12 skipped, 0 aborted) Details ✅ job output file `slurm-29591323.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

eessi-bot-rug · 2026-06-16T19:35:32Z

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/2026.06/pr_1524/29591324

date	job status	comment
Jun 16 19:35:24 UTC 2026	submitted	job id `29591324` awaits release by job manager
Jun 16 19:36:22 UTC 2026	released	job awaits launch by Slurm scheduler
Jun 16 21:51:58 UTC 2026	running	job `29591324` is running

bedroge · 2026-06-16T21:54:44Z

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 · 2026-06-16T21:54:52Z

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/2026.06/pr_1524/15706318

date	job status	comment
Jun 16 21:54:50 UTC 2026	submitted	job id `15706318` awaits release by job manager
Jun 16 21:56:27 UTC 2026	released	job awaits launch by Slurm scheduler
Jun 16 22:12:32 UTC 2026	running	job `15706318` is running

add GROMACS 2026.2

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bedroge added accel:nvidia 2025.06-software.eessi.io 2025.06 version of software.eessi.io labels Jun 16, 2026

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{2025.06}[2025b] GROMACS 2026.2 with CUDA 12.9.1#1524

{2025.06}[2025b] GROMACS 2026.2 with CUDA 12.9.1#1524
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