{2023.06}[foss/2023a] ESPResSo 4.2.2 w/ CUDA 12.1.1 #748

Neves-P · 2024-09-25T15:07:03Z

No description provided.

eessi-bot · 2024-09-25T15:07:06Z

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

eessi-bot · 2024-09-25T15:07:08Z

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

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

eessi-build-deploy-bot-deucalion · 2024-09-25T15:07:08Z

Instance boegel-bot-deucalion is configured to build for:

architectures: aarch64/a64fx
repositories: eessi.io-2023.06-software

Neves-P · 2024-09-25T15:10:37Z

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

eessi-bot · 2024-09-25T15:10:40Z

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 Neves-P
- 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:
- submitted job 19868, for details & status see {2023.06}[foss/2023a] ESPResSo 4.2.2 w/ CUDA 12.1.1 #748 (comment)

eessi-build-deploy-bot-deucalion · 2024-09-25T15:10:41Z

Updates by the bot instance boegel-bot-deucalion (click for details)

account Neves-P has NO permission to send commands to the bot

eessi-bot · 2024-09-25T15:10:41Z

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 Neves-P
- 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

eessi-bot · 2024-09-25T15:10:44Z

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/2024.09/pr_748/19868

date	job status	comment
Sep 25 15:10:43 UTC 2024	submitted	job id `19868` awaits release by job manager
Sep 25 15:11:39 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 25 15:12:41 UTC 2024	running	job `19868` is running
Sep 25 16:10:41 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-19868.out` ✅ 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-amd-zen2-1727279150.tar.gz` size: 6 MiB (6911508 bytes) entries: 86 modules under 2023.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80/modules/all `ESPResSo/4.2.2-foss-2023a-CUDA-12.1.1.lua` software under 2023.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80/software `ESPResSo/4.2.2-foss-2023a-CUDA-12.1.1` other under 2023.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80 no other files in tarball
Sep 25 16:10:41 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 15/15 test case(s) from 15 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-19868.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 26 13:01:49 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-amd-zen2-1727279150.tar.gz` to S3 bucket succeeded

boegel · 2024-09-25T19:10:40Z

I checked the tarball, looks good to me:

configure output shows that ESPResSo is picking up the correct CUDA:

-- Found CUDA: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/amd/zen2/accel/nvidia/cc80/software/CUDA/12.1.1 (found suitable version "12.1", minimum required is "10.0")

RPATH section in ESPResSo/4.2.2-foss-2023a-CUDA-12.1.1/lib/python3.11/site-packages/espressomd/cuda_init.so also looks good to me.

We should try and make the CI happy here though... @bedroge?

Neves-P · 2024-09-26T07:16:14Z

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

eessi-bot · 2024-09-26T07:16:18Z

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 Neves-P
- 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:
- submitted job 19993, for details & status see {2023.06}[foss/2023a] ESPResSo 4.2.2 w/ CUDA 12.1.1 #748 (comment)

eessi-build-deploy-bot-deucalion · 2024-09-26T07:16:18Z

Updates by the bot instance boegel-bot-deucalion (click for details)

account Neves-P has NO permission to send commands to the bot

eessi-bot · 2024-09-26T07:16:18Z

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 Neves-P
- 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

eessi-bot · 2024-09-26T07:16:22Z

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/2024.09/pr_748/19993

date	job status	comment
Sep 26 07:16:21 UTC 2024	submitted	job id `19993` awaits release by job manager
Sep 26 07:16:55 UTC 2024	released	job awaits launch by Slurm scheduler
Sep 26 07:22:33 UTC 2024	running	job `19993` is running
Sep 26 08:12:21 UTC 2024	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file `slurm-19993.out` ✅ 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-amd-zen3-1727336947.tar.gz` size: 6 MiB (6911683 bytes) entries: 86 modules under 2023.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80/modules/all `ESPResSo/4.2.2-foss-2023a-CUDA-12.1.1.lua` software under 2023.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80/software `ESPResSo/4.2.2-foss-2023a-CUDA-12.1.1` other under 2023.06/software/linux/x86_64/amd/zen3/accel/nvidia/cc80 no other files in tarball
Sep 26 08:12:21 UTC 2024	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ PASSED ] Ran 15/15 test case(s) from 15 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file `slurm-19993.out` ✅ no message matching `ERROR:` ✅ no message matching `[\sFAILED\s].Ran . test case`
Sep 26 13:02:09 UTC 2024	uploaded	transfer of `eessi-2023.06-software-linux-x86_64-amd-zen3-1727336947.tar.gz` to S3 bucket succeeded

ocaisa · 2024-09-26T08:13:03Z

We'll have to hardcode a fix for CI now until archdetect has support for GPU (and an override given there will be no GPU in CI)

boegel · 2024-09-26T14:59:28Z

I tested this build on our AMD Milan A100 GPU cluster, results (interactive Slurm job with 1x A100, 12 CPU cores):

P3M benchmark (see here):

export EESSI_OVERRIDE_GPU_CHECK=1
module load ESPResSo/4.2.2-foss-2023a-CUDA-12.1.1
export LD_PRELOAD=/usr/lib64/libcuda.so:/usr/lib64/libnvidia-ptxjitcompiler.so
pypresso benchmarks/p3m.py

ESPResSo/4.2.2-foss-2023a module:
- --no-gpu option: ~2.5ms
- --gpu option: error (expected): Missing features CUDA
ESPResSo/4.2.2-foss-2023a-CUDA-12.1.1 module:
- --no-gpu option: ~2.6ms
- --gpu option: ~0.4ms

😎

…-12.1.1.eb

boegel

lgtm

eessi-bot · 2024-09-26T19:35:21Z

PR merged! Moved ['/project/def-users/SHARED/jobs/2024.09/pr_748/19868', '/project/def-users/SHARED/jobs/2024.09/pr_748/19993'] to /project/def-users/SHARED/trash_bin/EESSI/software-layer/2024.09.26

eessi-build-deploy-bot-deucalion · 2024-09-26T19:35:21Z

PR merged! Moved [] to $HOME/trash_bin/EESSI/software-layer/2024.09.26

eessi-bot · 2024-09-26T19:35:22Z

PR merged! Moved [] to /project/def-users/SHARED/trash_bin/EESSI/software-layer/2024.09.26

Add ESPResSo-4.2.2-foss-2023a-CUDA-12.1.1.eb

1501880

Neves-P added the 2023.06-software.eessi.io 2023.06 version of software.eessi.io label Sep 25, 2024

Neves-P changed the title ~~Add ESPResSo-4.2.2-foss-2023a-CUDA-12.1.1.eb~~ {2023.06}[foss/2023a] ESPResSo-4.2.2-foss-2023a-CUDA-12.1.1.eb Sep 25, 2024

Neves-P changed the title ~~{2023.06}[foss/2023a] ESPResSo-4.2.2-foss-2023a-CUDA-12.1.1.eb~~ {2023.06}[foss/2023a] ESPResSo 4.2.2 w/ CUDA 12.1.1 Sep 25, 2024

Neves-P added 2 commits September 26, 2024 14:27

Move CUDA builds to accel/ subdir

22be852

Fix EasyBuild PR link

d933c8c

boegel added the bot:deploy Ask bot to deploy missing software installations to EESSI label Sep 26, 2024

boegel added 2 commits September 26, 2024 20:39

Merge branch '2023.06-software.eessi.io' into espresso-cuda

96f7330

use easystack file in accel/nvidia for ESPResSo-4.2.2-foss-2023a-CUDA…

7368d39

…-12.1.1.eb

boegel approved these changes Sep 26, 2024

View reviewed changes

boegel added the accel:nvidia label Sep 26, 2024

boegel merged commit effc999 into EESSI:2023.06-software.eessi.io Sep 26, 2024
35 checks passed

bedroge mentioned this pull request Sep 27, 2024

Create_tarball might not include Lmod cache and config files correctly for GPU builds #722

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{2023.06}[foss/2023a] ESPResSo 4.2.2 w/ CUDA 12.1.1 #748

{2023.06}[foss/2023a] ESPResSo 4.2.2 w/ CUDA 12.1.1 #748

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{2023.06}[foss/2023a] ESPResSo 4.2.2 w/ CUDA 12.1.1 #748

{2023.06}[foss/2023a] ESPResSo 4.2.2 w/ CUDA 12.1.1 #748

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