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{bio}[foss/2023a] Boltz-1 v0.4.1#22473

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boegel merged 5 commits intoeasybuilders:developfrom
pavelToman:20250306112952_new_pr_Boltz-1041
Mar 19, 2025
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{bio}[foss/2023a] Boltz-1 v0.4.1#22473
boegel merged 5 commits intoeasybuilders:developfrom
pavelToman:20250306112952_new_pr_Boltz-1041

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@pavelToman pavelToman commented Mar 6, 2025

(created using eb --new-pr)
resolves vscentrum/vsc-software-stack#518

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@boegelbot please test @ jsc-zen3

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Test report by @pavelToman
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node4202.shinx.os - Linux RHEL 9.4, x86_64, AMD EPYC 9654 96-Core Processor, Python 3.9.18
See https://gist.github.com/pavelToman/1c2b94328dca4bead4486a6d81d4c984 for a full test report.

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@pavelToman: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=22473 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_22473 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 5892

Test results coming soon (I hope)...

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Test report by @pavelToman
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node4202.shinx.os - Linux RHEL 9.4, x86_64, AMD EPYC 9654 96-Core Processor, Python 3.9.18
See https://gist.github.com/pavelToman/5ec630d12e59b6eae6a3c1b3b348dd42 for a full test report.

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Test report by @pavelToman
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node4006.donphan.os - Linux RHEL 9.4, x86_64, Intel(R) Xeon(R) Gold 6240 CPU @ 2.60GHz, 1 x NVIDIA NVIDIA A2, 570.86.15, Python 3.9.18
See https://gist.github.com/pavelToman/9e9f07f3871af703ec8f00c617da71bb for a full test report.

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@boegelbot please test @ jsc-zen3

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@pavelToman: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=22473 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_22473 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 5895

Test results coming soon (I hope)...

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Test report by @boegelbot
FAILED
Build succeeded for 0 out of 2 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/6d8f3b2466ac0ef293638f825948ae7f for a full test report.

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Test report by @boegelbot FAILED Build succeeded for 0 out of 2 (1 easyconfigs in total) jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21 See https://gist.github.com/boegelbot/6d8f3b2466ac0ef293638f825948ae7f for a full test report.

PyTorch build failed

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Test report by @boegelbot
FAILED
Build succeeded for 2 out of 4 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/669808aa97d25673019e2e949ad08888 for a full test report.

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Test report by @boegelbot FAILED Build succeeded for 0 out of 2 (1 easyconfigs in total) jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21 See https://gist.github.com/boegelbot/6d8f3b2466ac0ef293638f825948ae7f for a full test report.

Failed on the build of PyTorch

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verdurin commented Mar 7, 2025

Test report by @verdurin
SUCCESS
Build succeeded for 6 out of 6 (1 easyconfigs in total)
easybuild-el8.cloud.in.bmrc.ox.ac.uk - Linux Rocky Linux 8.10, x86_64, Intel Xeon Processor (Skylake, IBRS), Python 3.6.8
See https://gist.github.com/verdurin/471102dc0f55b8763d3cd7d72aa95e3a for a full test report.

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boegel commented Mar 17, 2025

PyTorch/PyTorch-2.1.2-foss-2023a module is back on jsc-zen3 (reinstalled via --module-only), so trying again...

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boegel commented Mar 17, 2025

@boegelbot please test @ jsc-zen3

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@boegel: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=22473 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_22473 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 5984

Test results coming soon (I hope)...

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Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/12eb43d0b75a2557a74872e38e1e7a24 for a full test report.

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boegel commented Mar 18, 2025

$HOME directory is filling up in test step for Boltz-1:

$ du -sh ~/.boltz
1.7G    /home/example/.boltz

@pavelToman Any idea if we can convince it to not use ~/.boltz, maybe by setting some environment variable?

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pavelToman commented Mar 18, 2025

$HOME directory is filling up in test step for Boltz-1:

$ du -sh ~/.boltz
1.7G    /home/example/.boltz

@pavelToman Any idea if we can convince it to not use ~/.boltz, maybe by setting some environment variable?

oh, mine ~/.boltz is 3.5G...
I think it comes from this code: cache = os.path.expanduser('~/.boltz')
I will try to export HOME to the builddir before tests run.

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@pavelToman: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=22473 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_22473 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 5994

Test results coming soon (I hope)...

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Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/91b03b20d86998fa0e778df79b40da05 for a full test report.

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boegel commented Mar 18, 2025

Looks like redefining $HOME while running the tests is the only option, since ~ is hardcoded, see https://github.com/jwohlwend/boltz/blob/5f515995cfca71521dfac39d910a86cd4b5bb8e6/tests/test_regression.py#L28

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boegel commented Mar 18, 2025

@boegelbot please test @ jsc-zen3

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@boegel: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=22473 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_22473 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 5995

Test results coming soon (I hope)...

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Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/90017bbb8d92b288592f6ecb3e001ab4 for a full test report.

@boegel boegel added this to the release after 5.0.0 milestone Mar 19, 2025
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boegel commented Mar 19, 2025

@boegelbot please test @ jsc-zen3

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@boegel: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=22473 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_22473 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 6000

Test results coming soon (I hope)...

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Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/753c4ebbedd6d5a1d299e9d2d109be77 for a full test report.

Comment thread easybuild/easyconfigs/b/Boltz-1/Boltz-1-0.4.1-foss-2023a.eb Outdated
Comment thread easybuild/easyconfigs/b/Boltz-1/Boltz-1-0.4.1-foss-2023a.eb Outdated
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lgtm

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boegel commented Mar 19, 2025

Test report by @boegel
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node3562.doduo.os - Linux RHEL 9.4, x86_64, AMD EPYC 7552 48-Core Processor (zen2), Python 3.9.18
See https://gist.github.com/boegel/8b0d04949622ce9708d7f00f9fbf439f for a full test report.

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boegel commented Mar 19, 2025

Going in, thanks @pavelToman!

@boegel boegel merged commit 5989bc0 into easybuilders:develop Mar 19, 2025
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Boltz-1

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