{2023.06}[foss/2023b] openCARP 17.0

[MarieHouillon]

This is to add openCARP 17.0 to the software layer, let me know if anything else is needed.

[eessi-bot-surf]

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

• architectures: x86_64/amd/zen4, x86_64/amd/zen2
• repositories: eessi-hpc.org-2023.06-software, eessi.io-2023.06-compat, eessi-hpc.org-2023.06-compat, eessi.io-2023.06-software

[boegel]

Let's start with a test build on aarch64 (I've already done a manual test on amd/zen2 via EESSI-extend, which didn't show any build problems on top of EESSI).

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws arch:aarch64/neoverse_v1

[eessi-bot-surf]

Updates by the bot instance eessi-bot-surf (click for details)

• received bot command build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws arch:aarch64/neoverse_v1 from boegel

  • expanded format: build repository:eessi.io-2023.06-software instance:eessi-bot-mc-aws architecture:aarch64/neoverse_v1

• handling command build repository:eessi.io-2023.06-software instance:eessi-bot-mc-aws architecture:aarch64/neoverse_v1 resulted in:

  • no jobs were submitted

[eessi-bot-aws]

New job on instance eessi-bot-mc-aws for CPU micro-architecture aarch64-neoverse_v1 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2025.06/pr_1118/68860

date	job status	comment
Jun 11 11:01:34 UTC 2025	submitted	job id 68860 awaits release by job manager
Jun 11 11:02:04 UTC 2025	released	job awaits launch by Slurm scheduler
Jun 11 11:07:25 UTC 2025	running	job 68860 is running
Jun 11 11:46:44 UTC 2025	finished	😢 FAILURE (click triangle for details) Details ✅ job output file slurm-68860.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.gz created! Artefacts eessi-2023.06-software-linux-aarch64-neoverse_v1-17496419170.tar.gz size: 185 MiB (194667846 bytes) entries: 714 modules under 2023.06/software/linux/aarch64/neoverse_v1/modules/all gengetopt/2.23-GCCcore-13.2.0.lua Hypre/2.31.0-foss-2023b.lua METIS/5.1.0-GCCcore-13.2.0.lua MUMPS/5.6.1-foss-2023b-metis.lua ParMETIS/4.0.3-gompi-2023b.lua SCOTCH/7.0.4-gompi-2023b.lua SuiteSparse/7.7.0-gfbf-2023b.lua SuperLU_DIST/8.2.1-foss-2023b.lua software under 2023.06/software/linux/aarch64/neoverse_v1/software gengetopt/2.23-GCCcore-13.2.0 Hypre/2.31.0-foss-2023b METIS/5.1.0-GCCcore-13.2.0 MUMPS/5.6.1-foss-2023b-metis ParMETIS/4.0.3-gompi-2023b SCOTCH/7.0.4-gompi-2023b SuiteSparse/7.7.0-gfbf-2023b SuperLU_DIST/8.2.1-foss-2023b other under 2023.06/software/linux/aarch64/neoverse_v1 no other files in tarball
Jun 11 11:46:44 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:aarch64_neoverse_v1+default P: perf: 938.252 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:aarch64_neoverse_v1+default P: perf: 934.958 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:aarch64_neoverse_v1+default P: latency: 3.12 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:aarch64_neoverse_v1+default P: latency: 3.25 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:aarch64_neoverse_v1+default P: latency: 4.44 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:aarch64_neoverse_v1+default P: latency: 4.46 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:aarch64_neoverse_v1+default P: latency: 0.4 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_neoverse_v1+default P: latency: 0.41 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_neoverse_v1+default P: bandwidth: 34047.87 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_neoverse_v1+default P: bandwidth: 34504.81 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-68860.out ❌ found message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case

[boegel]

Installation of PETSc/3.22.5-foss-2023b failed when download source tarball for it:

== FAILED: Installation ended unsuccessfully: SSL issues with urllib2. If you are using RHEL/CentOS 6.x please install the python-requests and pyOpenSSL RPM packages and try again

I'll figure out what's going on there...

edit: not sure what the problem is, a manual curl to download the file works fine, so I've seeded it in for the bot

[boegel]

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws arch:aarch64/neoverse_v1

[eessi-bot-aws]

New job on instance eessi-bot-mc-aws for CPU micro-architecture aarch64-neoverse_v1 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2025.06/pr_1118/68864

date	job status	comment
Jun 11 13:56:44 UTC 2025	submitted	job id 68864 awaits release by job manager
Jun 11 13:57:13 UTC 2025	released	job awaits launch by Slurm scheduler
Jun 11 14:02:17 UTC 2025	running	job 68864 is running
Jun 11 15:07:58 UTC 2025	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file slurm-68864.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.gz created! Artefacts eessi-2023.06-software-linux-aarch64-neoverse_v1-17496539410.tar.gz size: 213 MiB (224194550 bytes) entries: 9638 modules under 2023.06/software/linux/aarch64/neoverse_v1/modules/all gengetopt/2.23-GCCcore-13.2.0.lua Hypre/2.31.0-foss-2023b.lua METIS/5.1.0-GCCcore-13.2.0.lua MUMPS/5.6.1-foss-2023b-metis.lua openCARP/17.0-foss-2023b.lua ParMETIS/4.0.3-gompi-2023b.lua PETSc/3.22.5-foss-2023b.lua SCOTCH/7.0.4-gompi-2023b.lua SuiteSparse/7.7.0-gfbf-2023b.lua SuperLU_DIST/8.2.1-foss-2023b.lua software under 2023.06/software/linux/aarch64/neoverse_v1/software gengetopt/2.23-GCCcore-13.2.0 Hypre/2.31.0-foss-2023b METIS/5.1.0-GCCcore-13.2.0 MUMPS/5.6.1-foss-2023b-metis openCARP/17.0-foss-2023b ParMETIS/4.0.3-gompi-2023b PETSc/3.22.5-foss-2023b SCOTCH/7.0.4-gompi-2023b SuiteSparse/7.7.0-gfbf-2023b SuperLU_DIST/8.2.1-foss-2023b other under 2023.06/software/linux/aarch64/neoverse_v1 2023.06/init/easybuild/eb_hooks.py
Jun 11 15:07:58 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:aarch64_neoverse_v1+default P: perf: 977.81 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:aarch64_neoverse_v1+default P: perf: 981.154 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:aarch64_neoverse_v1+default P: latency: 3.15 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:aarch64_neoverse_v1+default P: latency: 3.3 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:aarch64_neoverse_v1+default P: latency: 5.28 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:aarch64_neoverse_v1+default P: latency: 4.37 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:aarch64_neoverse_v1+default P: latency: 0.37 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_neoverse_v1+default P: latency: 0.42 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_neoverse_v1+default P: bandwidth: 35809.07 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_neoverse_v1+default P: bandwidth: 35020.95 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-68864.out ✅ no message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case

[boegel]

openCARP indirectly depends on ParMETIS (via PETSc), which we can't just ship in EESSI because of its license terms.

Therefore, we should:

• update the EasyBuild configuration so ParMETIS is filtered out as dependency;
• use the updated SuperLU_DIST easyconfig (from update SuperLU_DIST easyconfigs to rely on updated SuperLU easyblock for configure options for ParMETIS easybuilders/easybuild-easyconfigs#23075) along with the updated easyblock (from enhance SuperLU easyblock to set configure options for ParMETIS (or disable it if ParMETIS is not a dependency) easybuilders/easybuild-easyblocks#3767) to install that dependency of openCARP;

I'll update this PR to make those changes, but that may only happen until after we split of code/scripts that are currently located in EESSI/software-layer into a separate EESSI/software-layer-scripts repository (which should happen really soon now).

[boegel]

PR to filter out ParMETIS dependency:

• filter ParMETIS dependency, since ParMETIS license doesn't allow redistribution software-layer-scripts#2

[laraPPr]

@MarieHouillon We have recenly split up the software-layer repository and now have switch to EESSI:main as the new default branch. Could you retarget this pr to the default branch. If you need any help please let us know.