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{2023.06}[2023b] GROMACS 2024.4 w/ CUDA 12.4.0 #828

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@bedroge bedroge commented Nov 26, 2024

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@bedroge bedroge added 2023.06-software.eessi.io 2023.06 version of software.eessi.io accel:nvidia labels Nov 26, 2024
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Instance eessi-bot-riscv is configured to build for:

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

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eessi-bot bot commented Nov 26, 2024

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

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

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

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eessi-bot bot commented Nov 26, 2024

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

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bedroge commented Nov 26, 2024

bot: build repo:eessi.io-2023.06-software arch:x86_64/amd/zen2 accel:nvidia/cc80

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eessi-bot bot commented Nov 26, 2024

Updates by the bot instance eessi-bot-mc-aws (click for details)
  • received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen2 accel:nvidia/cc80 from bedroge

    • expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2 accelerator:nvidia/cc80
  • handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2 accelerator:nvidia/cc80 resulted in:

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riscv-eessi-io-bot bot commented Nov 26, 2024

Updates by the bot instance eessi-bot-riscv (click for details)
  • received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen2 accel:nvidia/cc80 from bedroge

    • expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2 accelerator:nvidia/cc80
  • handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2 accelerator:nvidia/cc80 resulted in:

    • no jobs were submitted

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riscv-eessi-io-bot bot commented Nov 26, 2024

Updates by the bot instance eessi-bot-riscv (click for details)
  • received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen2 accel:nvidia/cc80 from bedroge

    • expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2 accelerator:nvidia/cc80
  • handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2 accelerator:nvidia/cc80 resulted in:

    • no jobs were submitted

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eessi-bot bot commented Nov 26, 2024

Updates by the bot instance eessi-bot-mc-azure (click for details)
  • received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen2 accel:nvidia/cc80 from bedroge

    • expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2 accelerator:nvidia/cc80
  • handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen2 accelerator:nvidia/cc80 resulted in:

    • no jobs were submitted

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eessi-bot bot commented Nov 26, 2024

New job on instance eessi-bot-mc-aws for CPU micro-architecture x86_64-amd-zen2 and accelerator nvidia/cc80 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.11/pr_828/31074

date job status comment
Nov 26 12:16:19 UTC 2024 submitted job id 31074 awaits release by job manager
Nov 26 12:16:33 UTC 2024 released job awaits launch by Slurm scheduler
Nov 26 12:22:42 UTC 2024 running job 31074 is running
Nov 26 12:44:25 UTC 2024 finished
😢 FAILURE (click triangle for details)
Details
✅ job output file slurm-31074.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-amd-zen2-1732624182.tar.gzsize: 0 MiB (45 bytes)
entries: 0
modules under 2023.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80/modules/all
no module files in tarball
software under 2023.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80/software
no software packages in tarball
other under 2023.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80
no other files in tarball
Nov 26 12:44:25 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-amd-zen2-node+default
P: perf: 439.622 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-amd-zen2-node+default
P: perf: 443.513 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-amd-zen2-node+default
P: latency: 5.69 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-amd-zen2-node+default
P: latency: 4.65 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-amd-zen2-node+default
P: latency: 8.79 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-amd-zen2-node+default
P: latency: 8.63 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-amd-zen2-node+default
P: latency: 0.32 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-amd-zen2-node+default
P: latency: 0.31 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-amd-zen2-node+default
P: bandwidth: 7888.23 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-amd-zen2-node+default
P: bandwidth: 7918.26 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-31074.out
❌ found message matching ERROR:
✅ no message matching [\s*FAILED\s*].*Ran .* test case

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bedroge commented Nov 26, 2024

Just to be sure, let's try this on zen3 as well.

bot: build repo:eessi.io-2023.06-software arch:x86_64/amd/zen3 accel:nvidia/cc80

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riscv-eessi-io-bot bot commented Nov 26, 2024

Updates by the bot instance eessi-bot-riscv (click for details)
  • received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen3 accel:nvidia/cc80 from bedroge

    • expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3 accelerator:nvidia/cc80
  • handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3 accelerator:nvidia/cc80 resulted in:

    • no jobs were submitted

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eessi-bot bot commented Nov 26, 2024

Updates by the bot instance eessi-bot-mc-aws (click for details)
  • received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen3 accel:nvidia/cc80 from bedroge

    • expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3 accelerator:nvidia/cc80
  • handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3 accelerator:nvidia/cc80 resulted in:

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riscv-eessi-io-bot bot commented Nov 26, 2024

Updates by the bot instance eessi-bot-riscv (click for details)
  • received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen3 accel:nvidia/cc80 from bedroge

    • expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3 accelerator:nvidia/cc80
  • handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3 accelerator:nvidia/cc80 resulted in:

    • no jobs were submitted

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eessi-bot bot commented Nov 26, 2024

Updates by the bot instance eessi-bot-mc-azure (click for details)
  • received bot command build repo:eessi.io-2023.06-software arch:x86_64/amd/zen3 accel:nvidia/cc80 from bedroge

    • expanded format: build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3 accelerator:nvidia/cc80
  • handling command build repository:eessi.io-2023.06-software architecture:x86_64/amd/zen3 accelerator:nvidia/cc80 resulted in:

    • no jobs were submitted

Copy link

eessi-bot bot commented Nov 26, 2024

New job on instance eessi-bot-mc-aws for CPU micro-architecture x86_64-amd-zen3 and accelerator nvidia/cc80 for repository eessi.io-2023.06-software in job dir /project/def-users/SHARED/jobs/2024.11/pr_828/31092

date job status comment
Nov 26 14:23:31 UTC 2024 submitted job id 31092 awaits release by job manager
Nov 26 14:24:22 UTC 2024 released job awaits launch by Slurm scheduler
Nov 26 14:25:27 UTC 2024 running job 31092 is running
Nov 26 14:43:10 UTC 2024 finished
😢 FAILURE (click triangle for details)
Details
✅ job output file slurm-31092.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-amd-zen3-1732631441.tar.gzsize: 0 MiB (45 bytes)
entries: 0
modules under 2023.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80/modules/all
no module files in tarball
software under 2023.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80/software
no software packages in tarball
other under 2023.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80
no other files in tarball
Nov 26 14:43:10 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-amd-zen3-node+default
P: perf: 521.807 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-amd-zen3-node+default
P: perf: 525.997 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-amd-zen3-node+default
P: latency: 2.41 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-amd-zen3-node+default
P: latency: 2.37 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-amd-zen3-node+default
P: latency: 5.81 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-amd-zen3-node+default
P: latency: 5.45 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-amd-zen3-node+default
P: latency: 0.29 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-amd-zen3-node+default
P: latency: 0.24 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-amd-zen3-node+default
P: bandwidth: 14355.42 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-amd-zen3-node+default
P: bandwidth: 14422.81 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-31092.out
❌ found message matching ERROR:
✅ no message matching [\s*FAILED\s*].*Ran .* test case

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