{2023.06}[2023a] NAMD 2.14

[laraPPr]

No description provided.

[eessi-bot]

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

• architectures: x86_64/generic, x86_64/intel/haswell, 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-hpc.org-2023.06-software, eessi-hpc.org-2023.06-compat, eessi.io-2023.06-software

[riscv-eessi-io-bot]

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

• architectures: riscv64/generic
• repositories: riscv.eessi.io-20240402

[eessi-bot]

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

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

[laraPPr]

bot: build arch:x86_64/generic repo:eessi.io-2023.06-software
bot: build repo:eessi.io-2023.06-software arch:aarch64/generic

[riscv-eessi-io-bot]

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

• account laraPPr has NO permission to send commands to the bot

[riscv-eessi-io-bot]

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

• account laraPPr has NO permission to send commands to the bot

[riscv-eessi-io-bot]

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

• account laraPPr has NO permission to send commands to the bot

[eessi-bot]

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

• received bot command build arch:x86_64/generic repo:eessi.io-2023.06-software from laraPPr

  • expanded format: build architecture:x86_64/generic repository:eessi.io-2023.06-software

• received bot command build repo:eessi.io-2023.06-software arch:aarch64/generic from laraPPr

  • expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/generic

• handling command build architecture:x86_64/generic repository:eessi.io-2023.06-software resulted in:

  • submitted job 32458, for details & status see {2023.06}[2023a] NAMD 2.14 #833 (comment)

• handling command build repository:eessi.io-2023.06-software architecture:aarch64/generic resulted in:

  • submitted job 32459, for details & status see {2023.06}[2023a] NAMD 2.14 #833 (comment)

[riscv-eessi-io-bot]

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

• account laraPPr has NO permission to send commands to the bot

[eessi-bot]

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

• received bot command build arch:x86_64/generic repo:eessi.io-2023.06-software from laraPPr

  • expanded format: build architecture:x86_64/generic repository:eessi.io-2023.06-software

• received bot command build repo:eessi.io-2023.06-software arch:aarch64/generic from laraPPr

  • expanded format: build repository:eessi.io-2023.06-software architecture:aarch64/generic

• handling command build architecture:x86_64/generic repository:eessi.io-2023.06-software resulted in:

  • no jobs were submitted

• handling command build repository:eessi.io-2023.06-software architecture:aarch64/generic resulted in:

  • no jobs were submitted

[eessi-bot]

New job on instance eessi-bot-mc-aws for CPU micro-architecture x86_64-generic for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.12/pr_833/32458

date	job status	comment
Dec 03 11:34:45 UTC 2024	submitted	job id 32458 awaits release by job manager
Dec 03 11:35:35 UTC 2024	released	job awaits launch by Slurm scheduler
Dec 03 11:41:41 UTC 2024	running	job 32458 is running
Dec 03 11:56:07 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file slurm-32458.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-x86_64-generic-1733226482.tar.gz size: 13 MiB (13858748 bytes) entries: 1045 modules under 2023.06/software/linux/x86_64/generic/modules/all NAMD/2.14-foss-2023a-mpi.lua tcsh/6.24.10-GCCcore-12.3.0.lua software under 2023.06/software/linux/x86_64/generic/software NAMD/2.14-foss-2023a-mpi tcsh/6.24.10-GCCcore-12.3.0 other under 2023.06/software/linux/x86_64/generic no other files in tarball
Dec 03 11:56:07 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ OK ] ( 1/10) EESSI_LAMMPS_lj %scale=1_node %device_type=cpu %module_name=LAMMPS/29Aug2024-foss-2023b-kokkos /aeb2d9df @BotBuildTests:x86-64-generic-node+default P: perf: 454.938 timesteps/s (r:0, l:None, u:None) [ OK ] ( 2/10) EESSI_LAMMPS_lj %scale=1_node %device_type=cpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos /04ff9ece @BotBuildTests:x86-64-generic-node+default P: perf: 478.475 timesteps/s (r:0, l:None, u:None) [ OK ] ( 3/10) EESSI_OSU_Micro_Benchmarks_coll %benchmark_info=mpi.collective.osu_allreduce %scale=1_node %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %device_type=cpu /31ac6ab9 @BotBuildTests:x86-64-generic-node+default P: latency: 5.21 us (r:0, l:None, u:None) [ OK ] ( 4/10) EESSI_OSU_Micro_Benchmarks_coll %benchmark_info=mpi.collective.osu_allreduce %scale=1_node %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %device_type=cpu /f3be40a2 @BotBuildTests:x86-64-generic-node+default P: latency: 5.5 us (r:0, l:None, u:None) [ OK ] ( 5/10) EESSI_OSU_Micro_Benchmarks_coll %benchmark_info=mpi.collective.osu_alltoall %scale=1_node %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %device_type=cpu /10e66fba @BotBuildTests:x86-64-generic-node+default P: latency: 10.31 us (r:0, l:None, u:None) [ OK ] ( 6/10) EESSI_OSU_Micro_Benchmarks_coll %benchmark_info=mpi.collective.osu_alltoall %scale=1_node %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %device_type=cpu /5be57ae7 @BotBuildTests:x86-64-generic-node+default P: latency: 7.98 us (r:0, l:None, u:None) [ OK ] ( 7/10) EESSI_OSU_Micro_Benchmarks_pt2pt %benchmark_info=mpi.pt2pt.osu_latency %scale=1_node %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %device_type=cpu /c8c9aff5 @BotBuildTests:x86-64-generic-node+default P: latency: 0.7 us (r:0, l:None, u:None) [ OK ] ( 8/10) EESSI_OSU_Micro_Benchmarks_pt2pt %benchmark_info=mpi.pt2pt.osu_latency %scale=1_node %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %device_type=cpu /9795e491 @BotBuildTests:x86-64-generic-node+default P: latency: 0.63 us (r:0, l:None, u:None) [ OK ] ( 9/10) EESSI_OSU_Micro_Benchmarks_pt2pt %benchmark_info=mpi.pt2pt.osu_bw %scale=1_node %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %device_type=cpu /48da21c5 @BotBuildTests:x86-64-generic-node+default P: bandwidth: 10256.75 MB/s (r:0, l:None, u:None) [ OK ] (10/10) EESSI_OSU_Micro_Benchmarks_pt2pt %benchmark_info=mpi.pt2pt.osu_bw %scale=1_node %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %device_type=cpu /1b8c1ca2 @BotBuildTests:x86-64-generic-node+default P: bandwidth: 10260.15 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-32458.out ✅ no message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case

[eessi-bot]

New job on instance eessi-bot-mc-aws for CPU micro-architecture aarch64-generic for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.12/pr_833/32459

date	job status	comment
Dec 03 11:34:48 UTC 2024	submitted	job id 32459 awaits release by job manager
Dec 03 11:35:33 UTC 2024	released	job awaits launch by Slurm scheduler
Dec 03 11:40:37 UTC 2024	running	job 32459 is running
Dec 03 11:53:03 UTC 2024	finished	😢 FAILURE (click triangle for details) Details ✅ job output file slurm-32459.out ✅ no message matching FATAL: ❌ found message matching ERROR: ✅ no 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-generic-1733226296.tar.gz size: 0 MiB (546127 bytes) entries: 59 modules under 2023.06/software/linux/aarch64/generic/modules/all tcsh/6.24.10-GCCcore-12.3.0.lua software under 2023.06/software/linux/aarch64/generic/software tcsh/6.24.10-GCCcore-12.3.0 other under 2023.06/software/linux/aarch64/generic no other files in tarball
Dec 03 11:53:03 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ OK ] ( 1/10) EESSI_LAMMPS_lj %scale=1_node %device_type=cpu %module_name=LAMMPS/29Aug2024-foss-2023b-kokkos /aeb2d9df @BotBuildTests:aarch64-generic-node+default P: perf: 674.944 timesteps/s (r:0, l:None, u:None) [ OK ] ( 2/10) EESSI_LAMMPS_lj %scale=1_node %device_type=cpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos /04ff9ece @BotBuildTests:aarch64-generic-node+default P: perf: 702.736 timesteps/s (r:0, l:None, u:None) [ OK ] ( 3/10) EESSI_OSU_Micro_Benchmarks_coll %benchmark_info=mpi.collective.osu_allreduce %scale=1_node %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %device_type=cpu /31ac6ab9 @BotBuildTests:aarch64-generic-node+default P: latency: 3.51 us (r:0, l:None, u:None) [ OK ] ( 4/10) EESSI_OSU_Micro_Benchmarks_coll %benchmark_info=mpi.collective.osu_allreduce %scale=1_node %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %device_type=cpu /f3be40a2 @BotBuildTests:aarch64-generic-node+default P: latency: 3.49 us (r:0, l:None, u:None) [ OK ] ( 5/10) EESSI_OSU_Micro_Benchmarks_coll %benchmark_info=mpi.collective.osu_alltoall %scale=1_node %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %device_type=cpu /10e66fba @BotBuildTests:aarch64-generic-node+default P: latency: 5.5 us (r:0, l:None, u:None) [ OK ] ( 6/10) EESSI_OSU_Micro_Benchmarks_coll %benchmark_info=mpi.collective.osu_alltoall %scale=1_node %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %device_type=cpu /5be57ae7 @BotBuildTests:aarch64-generic-node+default P: latency: 5.33 us (r:0, l:None, u:None) [ OK ] ( 7/10) EESSI_OSU_Micro_Benchmarks_pt2pt %benchmark_info=mpi.pt2pt.osu_latency %scale=1_node %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %device_type=cpu /c8c9aff5 @BotBuildTests:aarch64-generic-node+default P: latency: 0.44 us (r:0, l:None, u:None) [ OK ] ( 8/10) EESSI_OSU_Micro_Benchmarks_pt2pt %benchmark_info=mpi.pt2pt.osu_latency %scale=1_node %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %device_type=cpu /9795e491 @BotBuildTests:aarch64-generic-node+default P: latency: 0.46 us (r:0, l:None, u:None) [ OK ] ( 9/10) EESSI_OSU_Micro_Benchmarks_pt2pt %benchmark_info=mpi.pt2pt.osu_bw %scale=1_node %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %device_type=cpu /48da21c5 @BotBuildTests:aarch64-generic-node+default P: bandwidth: 19785.69 MB/s (r:0, l:None, u:None) [ OK ] (10/10) EESSI_OSU_Micro_Benchmarks_pt2pt %benchmark_info=mpi.pt2pt.osu_bw %scale=1_node %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %device_type=cpu /1b8c1ca2 @BotBuildTests:aarch64-generic-node+default P: bandwidth: 19835.54 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-32459.out ❌ found message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case

[laraPPr]

We won't be able to distribute this. See licence https://www.ks.uiuc.edu/Research/namd/license.html.

[eessi-bot]

PR merged! Moved ['/project/def-users/SHARED/jobs/2024.12/pr_833/32458', '/project/def-users/SHARED/jobs/2024.12/pr_833/32459'] to /project/def-users/SHARED/trash_bin/EESSI/software-layer/2024.12.03

[riscv-eessi-io-bot]

PR merged! Moved [] to /home/eessibot/shared/trash_bin/EESSI/software-layer/2024.12.03

[eessi-bot]

PR merged! Moved [] to /project/def-users/SHARED/trash_bin/EESSI/software-layer/2024.12.03