{2023.06}[2023a,sapphirerapids] Batch of apps for EB 4.9.2 / 2023a

[bedroge]

Missing modules:

* HTSlib/1.18-GCC-12.3.0 (HTSlib-1.18-GCC-12.3.0.eb)
* BCFtools/1.18-GCC-12.3.0 (BCFtools-1.18-GCC-12.3.0.eb)

* BWA/0.7.18-GCCcore-12.3.0 (BWA-0.7.18-GCCcore-12.3.0.eb)

* CapnProto/1.0.1-GCCcore-12.3.0 (CapnProto-1.0.1-GCCcore-12.3.0.eb)

* DendroPy/4.6.1-GCCcore-12.3.0 (DendroPy-4.6.1-GCCcore-12.3.0.eb)

* fastp/0.23.4-GCC-12.3.0 (fastp-0.23.4-GCC-12.3.0.eb)

* HMMER/3.4-gompi-2023a (HMMER-3.4-gompi-2023a.eb)

* LSD2/2.4.1-GCCcore-12.3.0 (LSD2-2.4.1-GCCcore-12.3.0.eb)
* IQ-TREE/2.3.5-gompi-2023a (IQ-TREE-2.3.5-gompi-2023a.eb)

* KronaTools/2.8.1-GCCcore-12.3.0 (KronaTools-2.8.1-GCCcore-12.3.0.eb)

* LSD2/2.4.1-GCCcore-12.3.0 (LSD2-2.4.1-GCCcore-12.3.0.eb)

* MAFFT/7.520-GCC-12.3.0-with-extensions (MAFFT-7.520-GCC-12.3.0-with-extensions.eb)

* ncbi-vdb/3.0.10-gompi-2023a (ncbi-vdb-3.0.10-gompi-2023a.eb)

* Meson/1.3.1-GCCcore-12.3.0 (Meson-1.3.1-GCCcore-12.3.0.eb)
* meson-python/0.15.0-GCCcore-12.3.0 (meson-python-0.15.0-GCCcore-12.3.0.eb)
* f90wrap/0.2.13-foss-2023a (f90wrap-0.2.13-foss-2023a.eb)
* MetalWalls/21.06.1-foss-2023a (MetalWalls-21.06.1-foss-2023a.eb)

* QuantumESPRESSO/7.3.1-foss-2023a (QuantumESPRESSO-7.3.1-foss-2023a.eb)

* libxsmm/1.17-GCC-12.3.0 (libxsmm-1.17-GCC-12.3.0.eb)
* libvori/220621-GCCcore-12.3.0 (libvori-220621-GCCcore-12.3.0.eb)
* Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k (Libint-2.7.2-GCC-12.3.0-lmax-6-cp2k.eb)
* CP2K/2023.1-foss-2023a (CP2K-2023.1-foss-2023a.eb)

* amdahl/0.3.1-gompi-2023a (amdahl-0.3.1-gompi-2023a.eb)

* LLVM/14.0.6-GCCcore-12.3.0-llvmlite (LLVM-14.0.6-GCCcore-12.3.0-llvmlite.eb)
* numba/0.58.1-foss-2023a (numba-0.58.1-foss-2023a.eb)
* librosa/0.10.1-foss-2023a (librosa-0.10.1-foss-2023a.eb)

* xarray/2023.9.0-gfbf-2023a (xarray-2023.9.0-gfbf-2023a.eb)

* xxHash/0.8.2-GCCcore-12.3.0 (xxHash-0.8.2-GCCcore-12.3.0.eb)
* python-xxhash/3.4.1-GCCcore-12.3.0 (python-xxhash-3.4.1-GCCcore-12.3.0.eb)
* Shapely/2.0.1-gfbf-2023a (Shapely-2.0.1-gfbf-2023a.eb)
* pyproj/3.6.0-GCCcore-12.3.0 (pyproj-3.6.0-GCCcore-12.3.0.eb)
* netcdf4-python/1.6.4-foss-2023a (netcdf4-python-1.6.4-foss-2023a.eb)
* Fiona/1.9.5-foss-2023a (Fiona-1.9.5-foss-2023a.eb)
* Cartopy/0.22.0-foss-2023a (Cartopy-0.22.0-foss-2023a.eb)
* SciTools-Iris/3.9.0-foss-2023a (SciTools-Iris-3.9.0-foss-2023a.eb)

I.e., no overlap with #944, so should be safe to build in parallel.

[eessi-bot]

Instance eessi-bot-mc-aws is configured to build for:

• architectures: x86_64/generic, x86_64/intel/haswell, x86_64/intel/sapphirerapids, x86_64/intel/skylake_avx512, x86_64/amd/zen2, x86_64/amd/zen3, aarch64/generic, aarch64/neoverse_n1, aarch64/neoverse_v1
• repositories: eessi.io-2023.06-compat, eessi.io-2023.06-software

[eessi-bot]

Instance eessi-bot-mc-azure is configured to build for:

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

[eessi-bot-toprichard]

Instance rt-Grace-jr is configured to build for:

• architectures: aarch64/nvidia/grace
• repositories: eessi.io-2023.06-software

[bedroge]

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws arch:sapphirerapids

[eessi-bot]

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

• received bot command build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws arch:sapphirerapids from bedroge

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

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

  • submitted job 47879, for details & status see {2023.06}[2023a,sapphirerapids] Batch of apps for EB 4.9.2 / 2023a #945 (comment)

[eessi-bot]

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

• received bot command build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws arch:sapphirerapids from bedroge

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

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

  • no jobs were submitted

[eessi-bot-toprichard]

Updates by the bot instance rt-Grace-jr (click for details)

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[eessi-bot]

New job on instance eessi-bot-mc-aws for CPU micro-architecture x86_64-intel-sapphirerapids for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2025.02/pr_945/47879

date	job status	comment
Feb 26 19:25:12 UTC 2025	submitted	job id 47879 awaits release by job manager
Feb 26 19:26:15 UTC 2025	released	job awaits launch by Slurm scheduler
Feb 26 19:31:29 UTC 2025	running	job 47879 is running
Feb 26 22:28:02 UTC 2025	finished	😢 FAILURE (click triangle for details) Details ✅ job output file slurm-47879.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-x86_64-intel-sapphirerapids-1740605673.tar.gz size: 4103 MiB (4303054065 bytes) entries: 3737 modules under 2023.06/software/linux/x86_64/intel/sapphirerapids/modules/all BCFtools/1.18-GCC-12.3.0.lua BWA/0.7.18-GCCcore-12.3.0.lua CapnProto/1.0.1-GCCcore-12.3.0.lua DendroPy/4.6.1-GCCcore-12.3.0.lua f90wrap/0.2.13-foss-2023a.lua fastp/0.23.4-GCC-12.3.0.lua HMMER/3.4-gompi-2023a.lua HTSlib/1.18-GCC-12.3.0.lua IQ-TREE/2.3.5-gompi-2023a.lua KronaTools/2.8.1-GCCcore-12.3.0.lua LSD2/2.4.1-GCCcore-12.3.0.lua MAFFT/7.520-GCC-12.3.0-with-extensions.lua Meson/1.3.1-GCCcore-12.3.0.lua meson-python/0.15.0-GCCcore-12.3.0.lua MetalWalls/21.06.1-foss-2023a.lua ncbi-vdb/3.0.10-gompi-2023a.lua QuantumESPRESSO/7.3.1-foss-2023a.lua software under 2023.06/software/linux/x86_64/intel/sapphirerapids/software BCFtools/1.18-GCC-12.3.0 BWA/0.7.18-GCCcore-12.3.0 CapnProto/1.0.1-GCCcore-12.3.0 DendroPy/4.6.1-GCCcore-12.3.0 f90wrap/0.2.13-foss-2023a fastp/0.23.4-GCC-12.3.0 HMMER/3.4-gompi-2023a HTSlib/1.18-GCC-12.3.0 IQ-TREE/2.3.5-gompi-2023a KronaTools/2.8.1-GCCcore-12.3.0 LSD2/2.4.1-GCCcore-12.3.0 MAFFT/7.520-GCC-12.3.0-with-extensions Meson/1.3.1-GCCcore-12.3.0 meson-python/0.15.0-GCCcore-12.3.0 MetalWalls/21.06.1-foss-2023a ncbi-vdb/3.0.10-gompi-2023a QuantumESPRESSO/7.3.1-foss-2023a other under 2023.06/software/linux/x86_64/intel/sapphirerapids no other files in tarball
Feb 26 22:28:02 UTC 2025	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ OK ] ( 1/11) EESSI_QuantumESPRESSO_PW %ecut=50 %nbnd=10 %scale=1_node %module_name=QuantumESPRESSO/7.3.1-foss-2023a %device_type=cpu /1bfec028 @BotBuildTests:x86_64_intel_sapphirerapids+default P: extract_report_time: 0 s (r:0, l:None, u:None) P: PWSCF_cpu: 7.68 s (r:0, l:None, u:None) P: PWSCF_wall: 4.46 s (r:0, l:None, u:None) P: electrons_cpu: 6.51 s (r:0, l:None, u:None) P: electrons_wall: 3.45 s (r:0, l:None, u:None) P: c_bands_cpu: 5.31 s (r:0, l:None, u:None) P: c_bands_wall: 2.78 s (r:0, l:None, u:None) P: cegterg_cpu: 5.14 s (r:0, l:None, u:None) P: cegterg_wall: 2.65 s (r:0, l:None, u:None) P: calbec_cpu: 1.17 s (r:0, l:None, u:None) P: calbec_wall: 0.12 s (r:0, l:None, u:None) P: fft_cpu: 0.25 s (r:0, l:None, u:None) P: fft_wall: 0.24 s (r:0, l:None, u:None) P: ffts_cpu: 0.0 s (r:0, l:None, u:None) P: ffts_wall: 0.0 s (r:0, l:None, u:None) P: fftw_cpu: 2.9 s (r:0, l:None, u:None) P: fftw_wall: 2.0 s (r:0, l:None, u:None) [ OK ] ( 2/11) EESSI_QuantumESPRESSO_PW %ecut=50 %nbnd=10 %scale=1_node %module_name=QuantumESPRESSO/7.2-foss-2022b %device_type=cpu /685466f4 @BotBuildTests:x86_64_intel_sapphirerapids+default P: extract_report_time: 0 s (r:0, l:None, u:None) P: PWSCF_cpu: 7.77 s (r:0, l:None, u:None) P: PWSCF_wall: 4.5 s (r:0, l:None, u:None) P: electrons_cpu: 6.62 s (r:0, l:None, u:None) P: electrons_wall: 3.5 s (r:0, l:None, u:None) P: c_bands_cpu: 5.37 s (r:0, l:None, u:None) P: c_bands_wall: 2.8 s (r:0, l:None, u:None) P: cegterg_cpu: 5.2 s (r:0, l:None, u:None) P: cegterg_wall: 2.67 s (r:0, l:None, u:None) P: calbec_cpu: 1.12 s (r:0, l:None, u:None) P: calbec_wall: 0.11 s (r:0, l:None, u:None) P: fft_cpu: 0.25 s (r:0, l:None, u:None) P: fft_wall: 0.24 s (r:0, l:None, u:None) P: ffts_cpu: 0.0 s (r:0, l:None, u:None) P: ffts_wall: 0.0 s (r:0, l:None, u:None) P: fftw_cpu: 3.01 s (r:0, l:None, u:None) P: fftw_wall: 2.01 s (r:0, l:None, u:None) [ OK ] ( 3/11) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos %scale=1_node /04ff9ece @BotBuildTests:x86_64_intel_sapphirerapids+default P: perf: 673.548 timesteps/s (r:0, l:None, u:None) [ OK ] ( 4/11) 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_intel_sapphirerapids+default P: latency: 1.68 us (r:0, l:None, u:None) [ OK ] ( 5/11) 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_intel_sapphirerapids+default P: latency: 2.02 us (r:0, l:None, u:None) [ OK ] ( 6/11) 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_intel_sapphirerapids+default P: latency: 3.94 us (r:0, l:None, u:None) [ OK ] ( 7/11) 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_intel_sapphirerapids+default P: latency: 3.87 us (r:0, l:None, u:None) [ OK ] ( 8/11) 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_intel_sapphirerapids+default P: latency: 0.45 us (r:0, l:None, u:None) [ OK ] ( 9/11) 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_intel_sapphirerapids+default P: latency: 0.34 us (r:0, l:None, u:None) [ OK ] (10/11) 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_intel_sapphirerapids+default P: bandwidth: 13566.14 MB/s (r:0, l:None, u:None) [ OK ] (11/11) 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_intel_sapphirerapids+default P: bandwidth: 14064.14 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 11/11 test case(s) from 11 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file slurm-47879.out ❌ found message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case

[bedroge]

One of Libint's tests failed:

 2/16 Test  #2: libint2/eritest/run0 .............***Failed    4.70 sec


94% tests passed, 1 tests failed out of 16

Total Test time (real) = 650.95 sec

The following tests FAILED:
          2 - libint2/eritest/run0 (Failed)

This worked for sapphire_rapids, so maybe it's a fluke. Let's try again...

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws arch:sapphirerapids

[eessi-bot]

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

• received bot command build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws arch:sapphirerapids from bedroge

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

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

  • submitted job 48025, for details & status see {2023.06}[2023a,sapphirerapids] Batch of apps for EB 4.9.2 / 2023a #945 (comment)

[eessi-bot-toprichard]

Updates by the bot instance rt-Grace-jr (click for details)

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

• received bot command build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws arch:sapphirerapids from bedroge

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

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

  • no jobs were submitted

[eessi-bot]

New job on instance eessi-bot-mc-aws for CPU micro-architecture x86_64-intel-sapphirerapids for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2025.02/pr_945/48025

date	job status	comment
Feb 27 06:38:44 UTC 2025	submitted	job id 48025 awaits release by job manager
Feb 27 06:39:12 UTC 2025	released	job awaits launch by Slurm scheduler