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{chem}[foss/2021a] cryoDRGN v0.3.4 w/ Python 3.9.5 + CUDA v11.3.1 #15488

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merged 1 commit into from
May 13, 2022
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{chem}[foss/2021a] cryoDRGN v0.3.4 w/ Python 3.9.5 + CUDA v11.3.1 #15488

merged 1 commit into from
May 13, 2022

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@boegel boegel commented May 12, 2022

(created using eb --new-pr)

@boegel boegel added the update label May 12, 2022
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jfgrimm commented May 12, 2022

Test report by @jfgrimm
SUCCESS
Build succeeded for 6 out of 6 (1 easyconfigs in total)
node134.pri.viking.alces.network - Linux CentOS Linux 7.9.2009, x86_64, Intel(R) Xeon(R) Gold 6138 CPU @ 2.00GHz (skylake_avx512), Python 3.6.8
See https://gist.github.com/319fa0af771203a0a350c0d68789e034 for a full test report.

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jfgrimm commented May 12, 2022

@boegelbot: please test @ jsc-zen2

@jfgrimm jfgrimm added this to the 4.x milestone May 12, 2022
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@jfgrimm: Request for testing this PR well received on jsczen2l1.int.jsc-zen2.easybuild-test.cluster

PR test command 'EB_PR=15488 EB_ARGS= /opt/software/slurm/bin/sbatch --job-name test_PR_15488 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 1195

Test results coming soon (I hope)...

- notification for comment with ID 1125003556 processed

Message to humans: this is just bookkeeping information for me,
it is of no use to you (unless you think I have a bug, which I don't).

@jfgrimm jfgrimm modified the milestones: 4.x, next release (4.5.5?) May 13, 2022
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jfgrimm approved these changes May 13, 2022
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LGTM

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jfgrimm commented May 13, 2022

Going in, thanks @boegel!

@jfgrimm jfgrimm merged commit b278315 into easybuilders:develop May 13, 2022
@boegel boegel deleted the 20220512090710_new_pr_cryoDRGN034 branch May 29, 2022 13:25
@boegel boegel changed the title {chem}[foss/2021a] cryoDRGN v0.3.4 w/ Python 3.9.5 {chem}[foss/2021a] cryoDRGN v0.3.4 w/ Python 3.9.5 + CUDA v11.3.1 Jun 1, 2022
boegel
boegel commented Jun 3, 2022
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easybuild/easyconfigs/c/cryoDRGN/cryoDRGN-0.3.4-foss-2021a-CUDA-11.3.1.eb
('SciPy-bundle', '2021.05'),
('IPython', '7.25.0'),
('JupyterLab', '3.0.16'),
('PyTorch', '1.10.0', versionsuffix),
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Apparently cryoDRGN doesn't work on top of PyTorch 1.10, see ml-struct-bio/cryodrgn#66 and ml-struct-bio/cryodrgn#81

The issue is fixed in cryoDRGN v0.3.5, see let's bump to that, see #15609

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