{2023.06}[2023a] acpype v2023.10.27 #1332

Crivella · 2025-12-11T15:16:19Z

No description provided.

bedroge · 2025-12-11T19:04:43Z

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen2
bot: build repo:eessi.io-2023.06-software instance:eessi-bot-deucalion for:arch=aarch64/a64fx
bot: build repo:eessi.io-2023.06-software instance:eessi-bot-jsc for:arch=aarch64/nvidia/grace

eessi-bot-aws · 2025-12-11T19:04:49Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: amd-zen2
Building for: x86_64/amd/zen2
Job dir: /project/def-users/SHARED/jobs/2025.12/pr_1332/112092

date	job status	comment
Dec 11 19:04:48 UTC 2025	submitted	job id `112092` awaits release by job manager
Dec 11 19:05:19 UTC 2025	released	job awaits launch by Slurm scheduler
Dec 11 19:10:18 UTC 2025	running	job `112092` is running
Dec 11 19:40:53 UTC 2025	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-112092.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-2023.06-software-linux-x86_64-amd-zen2-17654817860.tar.zst` size: 8 MiB (8613011 bytes) entries: 2870 modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all `poetry/1.7.1-GCCcore-12.3.0.lua` software under 2023.06/software/linux/x86_64/amd/zen2/software `poetry/1.7.1-GCCcore-12.3.0` reprod directories under 2023.06/software/linux/x86_64/amd/zen2/reprod no reprod directories in tarball other under 2023.06/software/linux/x86_64/amd/zen2 no other files in tarball
Dec 11 19:40:53 UTC 2025	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ OK ] ( 1/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/29Aug2024-foss-2023b-kokkos %scale=1_node /aeb2d9df @BotBuildTests:x86_64_amd_zen2+default P: perf: 264.166 timesteps/s (r:0, l:None, u:None) [ OK ] ( 2/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos %scale=1_node /04ff9ece @BotBuildTests:x86_64_amd_zen2+default P: perf: 443.945 timesteps/s (r:0, l:None, u:None) [ OK ] ( 3/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node %device_type=cpu /775175bf @BotBuildTests:x86_64_amd_zen2+default P: latency: 2.54 us (r:0, l:None, u:None) [ OK ] ( 4/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node %device_type=cpu /52707c40 @BotBuildTests:x86_64_amd_zen2+default P: latency: 2.6 us (r:0, l:None, u:None) [ OK ] ( 5/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node %device_type=cpu /b1aacda9 @BotBuildTests:x86_64_amd_zen2+default P: latency: 6.29 us (r:0, l:None, u:None) [ OK ] ( 6/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node %device_type=cpu /c6bad193 @BotBuildTests:x86_64_amd_zen2+default P: latency: 5.65 us (r:0, l:None, u:None) [ OK ] ( 7/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /15cad6c4 @BotBuildTests:x86_64_amd_zen2+default P: latency: 0.85 us (r:0, l:None, u:None) [ OK ] ( 8/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /6672deda @BotBuildTests:x86_64_amd_zen2+default P: latency: 1.0 us (r:0, l:None, u:None) [ OK ] ( 9/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /2a9a47b1 @BotBuildTests:x86_64_amd_zen2+default P: bandwidth: 6436.16 MB/s (r:0, l:None, u:None) [ OK ] (10/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /1b24ab8e @BotBuildTests:x86_64_amd_zen2+default P: bandwidth: 6419.58 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 10/10 test case(s) from 10 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-112092.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

eessi-bot-deucalion · 2025-12-11T19:04:52Z

New job on instance eessi-bot-deucalion for repository eessi.io-2023.06-software
Building on: a64fx
Building for: aarch64/a64fx
Job dir: /home/eessibot/new-bot/jobs/2025.12/pr_1332/768990

date	job status	comment
Dec 11 19:04:50 UTC 2025	submitted	job id `768990` awaits release by job manager
Dec 11 19:05:33 UTC 2025	released	job awaits launch by Slurm scheduler
Dec 12 05:03:22 UTC 2025	running	job `768990` is running
Dec 12 06:03:53 UTC 2025	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-768990.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-2023.06-software-linux-aarch64-a64fx-17655190450.tar.zst` size: 8 MiB (8700463 bytes) entries: 2870 modules under 2023.06/software/linux/aarch64/a64fx/modules/all `poetry/1.7.1-GCCcore-12.3.0.lua` software under 2023.06/software/linux/aarch64/a64fx/software `poetry/1.7.1-GCCcore-12.3.0` reprod directories under 2023.06/software/linux/aarch64/a64fx/reprod no reprod directories in tarball other under 2023.06/software/linux/aarch64/a64fx no other files in tarball
Dec 12 06:03:53 UTC 2025	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ SKIP ] ( 1/10) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) according to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] ( 2/10) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) according to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] ( 3/10) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) according to the current ReFrame configuration, but 49152 MiB is needed [ SKIP ] ( 4/10) Skipping test: nodes in this partition only have 30720 MiB memory available (per node) according to the current ReFrame configuration, but 49152 MiB is needed [ OK ] ( 5/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/29Aug2024-foss-2023b-kokkos %scale=1_node /aeb2d9df @BotBuildTests:aarch64_a64fx+default P: perf: 578.642 timesteps/s (r:0, l:None, u:None) [ OK ] ( 6/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos %scale=1_node /04ff9ece @BotBuildTests:aarch64_a64fx+default P: perf: 582.21 timesteps/s (r:0, l:None, u:None) [ OK ] ( 7/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /15cad6c4 @BotBuildTests:aarch64_a64fx+default P: latency: 1.67 us (r:0, l:None, u:None) [ OK ] ( 8/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /6672deda @BotBuildTests:aarch64_a64fx+default P: latency: 1.74 us (r:0, l:None, u:None) [ OK ] ( 9/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /2a9a47b1 @BotBuildTests:aarch64_a64fx+default P: bandwidth: 8250.87 MB/s (r:0, l:None, u:None) [ OK ] (10/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /1b24ab8e @BotBuildTests:aarch64_a64fx+default P: bandwidth: 8671.71 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 6/10 test case(s) from 10 check(s) (0 failure(s), 4 skipped, 0 aborted) Details ✅ job output file `slurm-768990.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

eessi-bot-jsc · 2025-12-11T19:04:53Z

New job on instance eessi-bot-jsc for repository eessi.io-2023.06-software
Building on: nvidia-grace
Building for: aarch64/nvidia/grace
Job dir: /p/project1/ceasybuilders/eessibot/jobs/2025.12/pr_1332/14299992

date	job status	comment
Dec 11 19:04:51 UTC 2025	submitted	job id `14299992` awaits release by job manager
Dec 11 19:05:02 UTC 2025	released	job awaits launch by Slurm scheduler
Dec 11 21:05:04 UTC 2025	running	job `14299992` is running
Dec 11 21:34:57 UTC 2025	finished	😢 FAILURE (click triangle for details) Details ✅ job output file `slurm-14299992.out` ✅ no message matching `FATAL:` ❌ found message matching `ERROR:` ❌ found message matching `FAILED:` ✅ no message matching `required modules missing:` ❌ no message matching `No missing installations` ✅ found message matching `.tar.* created!` Artefacts `eessi-2023.06-software-linux-aarch64-nvidia-grace-17654882610.tar.gz` size: 8 MiB (9435536 bytes) entries: 2870 modules under 2023.06/software/linux/aarch64/nvidia/grace/modules/all `poetry/1.7.1-GCCcore-12.3.0.lua` software under 2023.06/software/linux/aarch64/nvidia/grace/software `poetry/1.7.1-GCCcore-12.3.0` reprod directories under 2023.06/software/linux/aarch64/nvidia/grace/reprod no reprod directories in tarball other under 2023.06/software/linux/aarch64/nvidia/grace no other files in tarball
Dec 11 21:34:57 UTC 2025	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ SKIP ] ( 1/28) Skipping GPU test : only 1 GPU available for this test case [ SKIP ] ( 2/28) Skipping GPU test : only 1 GPU available for this test case [ SKIP ] ( 3/28) Skipping GPU test : only 1 GPU available for this test case [ SKIP ] ( 4/28) Skipping GPU test : only 1 GPU available for this test case [ SKIP ] ( 5/28) Skipping GPU test : only 1 GPU available for this test case [ SKIP ] ( 6/28) Skipping GPU test : only 1 GPU available for this test case [ SKIP ] ( 7/28) Skipping GPU test : only 1 GPU available for this test case [ SKIP ] ( 8/28) Skipping GPU test : only 1 GPU available for this test case [ OK ] ( 9/28) EESSI_LAMMPS_lj %device_type=gpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos-CUDA-12.1.1 %scale=1_node /1f2ca7c1 @BotBuildTests:aarch64_nvidia_grace+default P: perf: 7080.683 timesteps/s (r:0, l:None, u:None) [ OK ] (10/28) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/29Aug2024-foss-2023b-kokkos %scale=1_node /aeb2d9df @BotBuildTests:aarch64_nvidia_grace+default P: perf: 1538.353 timesteps/s (r:0, l:None, u:None) [ OK ] (11/28) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos %scale=1_node /04ff9ece @BotBuildTests:aarch64_nvidia_grace+default P: perf: 1494.084 timesteps/s (r:0, l:None, u:None) [ OK ] (12/28) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos-CUDA-12.1.1 %scale=1_node /b22a48f5 @BotBuildTests:aarch64_nvidia_grace+default P: perf: 1503.845 timesteps/s (r:0, l:None, u:None) [ OK ] (13/28) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node %device_type=cpu /775175bf @BotBuildTests:aarch64_nvidia_grace+default P: latency: 4.86 us (r:0, l:None, u:None) [ OK ] (14/28) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node %device_type=cpu /52707c40 @BotBuildTests:aarch64_nvidia_grace+default P: latency: 4.93 us (r:0, l:None, u:None) [ OK ] (15/28) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.5-gompi-2023b-CUDA-12.4.0 %scale=1_node %device_type=cpu /95ac9526 @BotBuildTests:aarch64_nvidia_grace+default P: latency: 5.19 us (r:0, l:None, u:None) [ OK ] (16/28) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023a-CUDA-12.1.1 %scale=1_node %device_type=cpu /1cff5d41 @BotBuildTests:aarch64_nvidia_grace+default P: latency: 5.13 us (r:0, l:None, u:None) [ OK ] (17/28) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node %device_type=cpu /b1aacda9 @BotBuildTests:aarch64_nvidia_grace+default P: latency: 7.1 us (r:0, l:None, u:None) [ OK ] (18/28) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node %device_type=cpu /c6bad193 @BotBuildTests:aarch64_nvidia_grace+default P: latency: 7.13 us (r:0, l:None, u:None) [ OK ] (19/28) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.5-gompi-2023b-CUDA-12.4.0 %scale=1_node %device_type=cpu /0edb8a95 @BotBuildTests:aarch64_nvidia_grace+default P: latency: 8.54 us (r:0, l:None, u:None) [ OK ] (20/28) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023a-CUDA-12.1.1 %scale=1_node %device_type=cpu /b2ab2213 @BotBuildTests:aarch64_nvidia_grace+default P: latency: 8.34 us (r:0, l:None, u:None) [ OK ] (21/28) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /15cad6c4 @BotBuildTests:aarch64_nvidia_grace+default P: latency: 0.47 us (r:0, l:None, u:None) [ OK ] (22/28) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /6672deda @BotBuildTests:aarch64_nvidia_grace+default P: latency: 0.51 us (r:0, l:None, u:None) [ OK ] (23/28) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.5-gompi-2023b-CUDA-12.4.0 %scale=1_node /8ec94746 @BotBuildTests:aarch64_nvidia_grace+default P: latency: 0.51 us (r:0, l:None, u:None) [ OK ] (24/28) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023a-CUDA-12.1.1 %scale=1_node /1a3a497b @BotBuildTests:aarch64_nvidia_grace+default P: latency: 0.5 us (r:0, l:None, u:None) [ OK ] (25/28) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /2a9a47b1 @BotBuildTests:aarch64_nvidia_grace+default P: bandwidth: 43084.03 MB/s (r:0, l:None, u:None) [ OK ] (26/28) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /1b24ab8e @BotBuildTests:aarch64_nvidia_grace+default P: bandwidth: 37913.79 MB/s (r:0, l:None, u:None) [ OK ] (27/28) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.5-gompi-2023b-CUDA-12.4.0 %scale=1_node /c9ca6dc1 @BotBuildTests:aarch64_nvidia_grace+default P: bandwidth: 41824.01 MB/s (r:0, l:None, u:None) [ OK ] (28/28) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023a-CUDA-12.1.1 %scale=1_node /17289b2f @BotBuildTests:aarch64_nvidia_grace+default P: bandwidth: 42478.02 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 20/28 test case(s) from 28 check(s) (0 failure(s), 8 skipped, 0 aborted) Details ✅ job output file `slurm-14299992.out` ❌ found message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

bedroge · 2025-12-11T20:04:33Z

AmberTools 23.6 is picking up the wrong Python:

== configuring...
== Running pre-configure hook...
  >> running shell command:
        cmake  -DCMAKE_INSTALL_PREFIX=/cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/amd/zen2/software/AmberTools/23.6-foss-2023a -DCMAKE_BUILD_TYPE=Release
-DCMAKE_INSTALL_LIBDIR:PATH=lib -DCMAKE_SYSROOT=/cvmfs/software.eessi.io/versions/2023.06/compat/linux/x86_64 -DCMAKE_C_COMPILER=/cvmfs/software.eessi.io/versions/2023.06/sof
tware/linux/x86_64/amd/zen2/software/OpenMPI/4.1.5-GCC-12.3.0/bin/mpicc -DCMAKE_CXX_COMPILER=/cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/amd/zen2/software
/OpenMPI/4.1.5-GCC-12.3.0/bin/mpicxx -DCMAKE_Fortran_COMPILER=/cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/amd/zen2/software/OpenMPI/4.1.5-GCC-12.3.0/bin/m
pifort -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_FIND_USE_PACKAGE_REGISTRY=OFF -DPython_EXECUTABLE=/cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/amd/zen2/software
/Python/3.11.3-GCCcore-12.3.0/bin/python -DPython3_EXECUTABLE=/cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/amd/zen2/software/Python/3.11.3-GCCcore-12.3.0/b
in/python -DBOOST_ROOT=/cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/amd/zen2/software/Boost/1.82.0-GCC-12.3.0 -DBoost_NO_SYSTEM_PATHS=ON  -DMPI=TRUE  -DBLA
_VENDOR=FlexiBLAS  -DDOWNLOAD_MINICONDA=FALSE  -DPYTHON_EXECUTABLE=/cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/amd/zen2/software/Python/3.11.3-GCCcore-12.
3.0/bin/python  -DFORCE_EXTERNAL_LIBS='fftw;netcdf;netcdf-fortran;boost;pnetcdf'  -DUSE_FFT=TRUE  -DCHECK_UPDATES=FALSE  -DAPPLY_UPDATES=FALSE  -DTRUST_SYSTEM_LIBS=TRUE  -DCO
LOR_CMAKE_MESSAGES=FALSE  -DINSTALL_TESTS=FALSE  -DCOMPILER=AUTO  /tmp/bot/easybuild/build/AmberTools/23.6/foss-2023a/
        [started at: 2025-12-11 19:22:32]
        [working dir: /tmp/bot/easybuild/build/AmberTools/23.6/foss-2023a/easybuild_obj]
        [output and state saved to /tmp/eb-cixkp3f6/eb-afaia1rh/run-shell-cmd-output/cmake-1hfhpv63]
  >> command completed: exit 0, ran in 00h12m57s
== ... (took 12 mins 58 secs)
== FAILED: Installation ended unsuccessfully: CMake configure of {self.name} picked up (likely) wrong Python paths:
Python include_dir path '/cvmfs/software.eessi.io/versions/2023.06/compat/linux/x86_64/usr/include/python3.11' is outside EBROOTPYTHON (/cvmfs/software.eessi.io/versions/2023
.06/software/linux/x86_64/amd/zen2/software/Python/3.11.3-GCCcore-12.3.0)
Python library path '/cvmfs/software.eessi.io/versions/2023.06/compat/linux/x86_64/usr/lib64/libpython3.11.so' is outside EBROOTPYTHON (/cvmfs/software.eessi.io/versions/2023
.06/software/linux/x86_64/amd/zen2/software/Python/3.11.3-GCCcore-12.3.0)
Verify that Python is a dependency. Otherwise, the sources might need patching to pick up the Python provided by EasyBuild. (took 15 mins 38 secs)

easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.2.0-2023a.yml

casparvl · 2026-01-27T13:38:33Z

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen2

eessi-bot-aws · 2026-01-27T13:38:43Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: amd-zen2
Building for: x86_64/amd/zen2
Job dir: /project/def-users/SHARED/jobs/2026.01/pr_1332/125384

date	job status	comment
Jan 27 13:38:42 UTC 2026	submitted	job id `125384` awaits release by job manager
Jan 27 13:39:00 UTC 2026	released	job awaits launch by Slurm scheduler
Jan 27 13:40:10 UTC 2026	running	job `125384` is running
Jan 27 15:33:03 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-125384.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-2023.06-software-linux-x86_64-amd-zen2-17695277070.tar.zst` size: 176 MiB (184776895 bytes) entries: 8607 modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all `acpype/2023.10.27-foss-2023a.lua` `AmberTools/23.6-foss-2023a.lua` `build/1.0.3-GCCcore-12.3.0.lua` `CoordgenLibs/3.0.2-gompi-2023a.lua` `maeparser/1.3.1-gompi-2023a.lua` `OpenBabel/3.1.1-gompi-2023a.lua` `poetry/1.7.1-GCCcore-12.3.0.lua` software under 2023.06/software/linux/x86_64/amd/zen2/software `acpype/2023.10.27-foss-2023a` `AmberTools/23.6-foss-2023a` `build/1.0.3-GCCcore-12.3.0` `CoordgenLibs/3.0.2-gompi-2023a` `maeparser/1.3.1-gompi-2023a` `OpenBabel/3.1.1-gompi-2023a` `poetry/1.7.1-GCCcore-12.3.0` reprod directories under 2023.06/software/linux/x86_64/amd/zen2/reprod no reprod directories in tarball other under 2023.06/software/linux/x86_64/amd/zen2 no other files in tarball
Jan 27 15:33:03 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ OK ] ( 1/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/29Aug2024-foss-2023b-kokkos %scale=1_node /aeb2d9df @BotBuildTests:x86-64-zen2+default P: perf: 447.828 timesteps/s (r:0, l:None, u:None) [ OK ] ( 2/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos %scale=1_node /04ff9ece @BotBuildTests:x86-64-zen2+default P: perf: 448.501 timesteps/s (r:0, l:None, u:None) [ OK ] ( 3/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node %device_type=cpu /775175bf @BotBuildTests:x86-64-zen2+default P: latency: 2.69 us (r:0, l:None, u:None) [ OK ] ( 4/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node %device_type=cpu /52707c40 @BotBuildTests:x86-64-zen2+default P: latency: 2.56 us (r:0, l:None, u:None) [ OK ] ( 5/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node %device_type=cpu /b1aacda9 @BotBuildTests:x86-64-zen2+default P: latency: 5.89 us (r:0, l:None, u:None) [ OK ] ( 6/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node %device_type=cpu /c6bad193 @BotBuildTests:x86-64-zen2+default P: latency: 6.08 us (r:0, l:None, u:None) [ OK ] ( 7/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /15cad6c4 @BotBuildTests:x86-64-zen2+default P: latency: 0.86 us (r:0, l:None, u:None) [ OK ] ( 8/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /6672deda @BotBuildTests:x86-64-zen2+default P: latency: 0.75 us (r:0, l:None, u:None) [ OK ] ( 9/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /2a9a47b1 @BotBuildTests:x86-64-zen2+default P: bandwidth: 6431.22 MB/s (r:0, l:None, u:None) [ OK ] (10/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /1b24ab8e @BotBuildTests:x86-64-zen2+default P: bandwidth: 6410.17 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 10/10 test case(s) from 10 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-125384.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.2.0-2023a.yml

…23a.yml Co-authored-by: Caspar van Leeuwen <33718780+casparvl@users.noreply.github.com>

casparvl · 2026-01-28T12:28:44Z

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen2

eessi-bot-aws · 2026-01-28T12:28:52Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: amd-zen2
Building for: x86_64/amd/zen2
Job dir: /project/def-users/SHARED/jobs/2026.01/pr_1332/125678

date	job status	comment
Jan 28 12:28:51 UTC 2026	submitted	job id `125678` awaits release by job manager
Jan 28 12:29:08 UTC 2026	released	job awaits launch by Slurm scheduler
Jan 28 12:30:31 UTC 2026	running	job `125678` is running
Jan 28 14:23:18 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-125678.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-2023.06-software-linux-x86_64-amd-zen2-17696099300.tar.zst` size: 176 MiB (184774011 bytes) entries: 8607 modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all `acpype/2023.10.27-foss-2023a.lua` `AmberTools/23.6-foss-2023a.lua` `build/1.0.3-GCCcore-12.3.0.lua` `CoordgenLibs/3.0.2-gompi-2023a.lua` `maeparser/1.3.1-gompi-2023a.lua` `OpenBabel/3.1.1-gompi-2023a.lua` `poetry/1.7.1-GCCcore-12.3.0.lua` software under 2023.06/software/linux/x86_64/amd/zen2/software `acpype/2023.10.27-foss-2023a` `AmberTools/23.6-foss-2023a` `build/1.0.3-GCCcore-12.3.0` `CoordgenLibs/3.0.2-gompi-2023a` `maeparser/1.3.1-gompi-2023a` `OpenBabel/3.1.1-gompi-2023a` `poetry/1.7.1-GCCcore-12.3.0` reprod directories under 2023.06/software/linux/x86_64/amd/zen2/reprod no reprod directories in tarball other under 2023.06/software/linux/x86_64/amd/zen2 no other files in tarball
Jan 28 14:23:18 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ OK ] ( 1/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/29Aug2024-foss-2023b-kokkos %scale=1_node /aeb2d9df @BotBuildTests:x86-64-zen2+default P: perf: 447.939 timesteps/s (r:0, l:None, u:None) [ OK ] ( 2/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos %scale=1_node /04ff9ece @BotBuildTests:x86-64-zen2+default P: perf: 450.179 timesteps/s (r:0, l:None, u:None) [ OK ] ( 3/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node %device_type=cpu /775175bf @BotBuildTests:x86-64-zen2+default P: latency: 2.56 us (r:0, l:None, u:None) [ OK ] ( 4/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node %device_type=cpu /52707c40 @BotBuildTests:x86-64-zen2+default P: latency: 2.89 us (r:0, l:None, u:None) [ OK ] ( 5/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node %device_type=cpu /b1aacda9 @BotBuildTests:x86-64-zen2+default P: latency: 5.89 us (r:0, l:None, u:None) [ OK ] ( 6/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node %device_type=cpu /c6bad193 @BotBuildTests:x86-64-zen2+default P: latency: 5.88 us (r:0, l:None, u:None) [ OK ] ( 7/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /15cad6c4 @BotBuildTests:x86-64-zen2+default P: latency: 1.06 us (r:0, l:None, u:None) [ OK ] ( 8/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /6672deda @BotBuildTests:x86-64-zen2+default P: latency: 0.66 us (r:0, l:None, u:None) [ OK ] ( 9/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /2a9a47b1 @BotBuildTests:x86-64-zen2+default P: bandwidth: 6537.38 MB/s (r:0, l:None, u:None) [ OK ] (10/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /1b24ab8e @BotBuildTests:x86-64-zen2+default P: bandwidth: 6495.73 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 10/10 test case(s) from 10 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-125678.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`

casparvl · 2026-01-28T15:48:47Z

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen3
bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen4
bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/intel/skylake_avx512
bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/intel/haswell
bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/intel/icelake
bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/intel/cascadelake
bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/intel/sapphirerapids
bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/generic
bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=aarch64/generic
bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=aarch64/neoverse_n1
bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=aarch64/neoverse_v1
bot: build repo:eessi.io-2023.06-software instance:eessi-bot-deucalion for:arch=aarch64/a64fx
bot: build repo:eessi.io-2023.06-software instance:eessi-bot-jsc for:arch=aarch64/nvidia/grace

eessi-bot-aws · 2026-01-28T15:48:55Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: amd-zen3
Building for: x86_64/amd/zen3
Job dir: /project/def-users/SHARED/jobs/2026.01/pr_1332/125682

date	job status	comment
Jan 28 15:48:53 UTC 2026	submitted	job id `125682` awaits release by job manager
Jan 28 15:50:05 UTC 2026	released	job awaits launch by Slurm scheduler

eessi-bot-aws · 2026-01-28T15:49:00Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: amd-zen4
Building for: x86_64/amd/zen4
Job dir: /project/def-users/SHARED/jobs/2026.01/pr_1332/125683

date	job status	comment
Jan 28 15:48:58 UTC 2026	submitted	job id `125683` awaits release by job manager
Jan 28 15:50:08 UTC 2026	released	job awaits launch by Slurm scheduler

eessi-bot-aws · 2026-01-28T15:49:05Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: intel-skylake_avx512
Building for: x86_64/intel/skylake_avx512
Job dir: /project/def-users/SHARED/jobs/2026.01/pr_1332/125684

date	job status	comment
Jan 28 15:49:04 UTC 2026	submitted	job id `125684` awaits release by job manager
Jan 28 15:50:22 UTC 2026	released	job awaits launch by Slurm scheduler

eessi-bot-deucalion · 2026-01-28T15:49:10Z

New job on instance eessi-bot-deucalion for repository eessi.io-2023.06-software
Building on: a64fx
Building for: aarch64/a64fx
Job dir: /home/eessibot/new-bot/jobs/2026.01/pr_1332/889603

date	job status	comment
Jan 28 15:49:08 UTC 2026	submitted	job id `889603` awaits release by job manager
Jan 28 15:49:25 UTC 2026	released	job awaits launch by Slurm scheduler
Jan 28 15:50:28 UTC 2026	running	job `889603` is running

eessi-bot-aws · 2026-01-28T15:49:11Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: intel-haswell
Building for: x86_64/intel/haswell
Job dir: /project/def-users/SHARED/jobs/2026.01/pr_1332/125685

date	job status	comment
Jan 28 15:49:09 UTC 2026	submitted	job id `125685` awaits release by job manager
Jan 28 15:50:17 UTC 2026	released	job awaits launch by Slurm scheduler

eessi-bot-jsc · 2026-01-28T15:49:14Z

New job on instance eessi-bot-jsc for repository eessi.io-2023.06-software
Building on: nvidia-grace
Building for: aarch64/nvidia/grace
Job dir: /p/project1/ceasybuilders/eessibot/jobs/2026.01/pr_1332/14401394

date	job status	comment
Jan 28 15:49:12 UTC 2026	submitted	job id `14401394` awaits release by job manager
Jan 28 15:49:31 UTC 2026	released	job awaits launch by Slurm scheduler
Jan 28 15:50:35 UTC 2026	running	job `14401394` is running

eessi-bot-aws · 2026-01-28T15:49:16Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: intel-icelake
Building for: x86_64/intel/icelake
Job dir: /project/def-users/SHARED/jobs/2026.01/pr_1332/125686

date	job status	comment
Jan 28 15:49:15 UTC 2026	submitted	job id `125686` awaits release by job manager
Jan 28 15:50:19 UTC 2026	released	job awaits launch by Slurm scheduler

eessi-bot-aws · 2026-01-28T15:49:21Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: intel-cascadelake
Building for: x86_64/intel/cascadelake
Job dir: /project/def-users/SHARED/jobs/2026.01/pr_1332/125687

date	job status	comment
Jan 28 15:49:20 UTC 2026	submitted	job id `125687` awaits release by job manager
Jan 28 15:50:14 UTC 2026	released	job awaits launch by Slurm scheduler

eessi-bot-aws · 2026-01-28T15:49:27Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: intel-sapphirerapids
Building for: x86_64/intel/sapphirerapids
Job dir: /project/def-users/SHARED/jobs/2026.01/pr_1332/125688

date	job status	comment
Jan 28 15:49:25 UTC 2026	submitted	job id `125688` awaits release by job manager
Jan 28 15:50:25 UTC 2026	released	job awaits launch by Slurm scheduler

eessi-bot-aws · 2026-01-28T15:49:33Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: generic
Building for: x86_64/generic
Job dir: /project/def-users/SHARED/jobs/2026.01/pr_1332/125689

date	job status	comment
Jan 28 15:49:31 UTC 2026	submitted	job id `125689` awaits release by job manager
Jan 28 15:50:11 UTC 2026	released	job awaits launch by Slurm scheduler

eessi-bot-aws · 2026-01-28T15:49:38Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: generic
Building for: aarch64/generic
Job dir: /project/def-users/SHARED/jobs/2026.01/pr_1332/125690

date	job status	comment
Jan 28 15:49:37 UTC 2026	submitted	job id `125690` awaits release by job manager
Jan 28 15:49:56 UTC 2026	released	job awaits launch by Slurm scheduler

eessi-bot-aws · 2026-01-28T15:49:43Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: neoverse_n1
Building for: aarch64/neoverse_n1
Job dir: /project/def-users/SHARED/jobs/2026.01/pr_1332/125691

date	job status	comment
Jan 28 15:49:42 UTC 2026	submitted	job id `125691` awaits release by job manager
Jan 28 15:49:59 UTC 2026	released	job awaits launch by Slurm scheduler

eessi-bot-aws · 2026-01-28T15:49:48Z

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: neoverse_v1
Building for: aarch64/neoverse_v1
Job dir: /project/def-users/SHARED/jobs/2026.01/pr_1332/125692

date	job status	comment
Jan 28 15:49:47 UTC 2026	submitted	job id `125692` awaits release by job manager
Jan 28 15:50:02 UTC 2026	released	job awaits launch by Slurm scheduler

bedroge added the 2023.06-software.eessi.io 2023.06 version of software.eessi.io label Dec 11, 2025

Crivella mentioned this pull request Jan 15, 2026

Ensure AmberTools will find the correct python library and include dir easybuilders/easybuild-easyblocks#4045

Merged

Crivella force-pushed the feature-acpype branch 5 times, most recently from c528fa1 to 79112a9 Compare January 15, 2026 10:17

Add acpype to foss/2023a

ef843c4

Crivella force-pushed the feature-acpype branch from 79112a9 to ef843c4 Compare January 15, 2026 13:54

casparvl reviewed Jan 27, 2026

View reviewed changes

easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.2.0-2023a.yml Outdated Show resolved Hide resolved

Move to latest commit in PR

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casparvl reviewed Jan 27, 2026

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easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.2.0-2023a.yml Outdated Show resolved Hide resolved

Update easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.2.0-20…

879a31d

…23a.yml Co-authored-by: Caspar van Leeuwen <33718780+casparvl@users.noreply.github.com>

{2023.06}[2023a] acpype v2023.10.27 #1332

Are you sure you want to change the base?

{2023.06}[2023a] acpype v2023.10.27 #1332

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