{chem}[foss/2022a] CPMD v4.3 by migueldiascosta · Pull Request #19387 · easybuilders/easybuild-easyconfigs

migueldiascosta · 2023-12-11T06:01:16Z

(created using eb --new-pr)

…tran.patch

migueldiascosta · 2023-12-11T06:02:40Z

@boegelbot please test @ generoso

boegelbot · 2023-12-11T06:05:08Z

@migueldiascosta: Request for testing this PR well received on login1

PR test command 'EB_PR=19387 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_19387 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 12366

Test results coming soon (I hope)...

Details

- notification for comment with ID 1849378969 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).

boegelbot · 2023-12-11T06:08:01Z

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
cns2 - Linux Rocky Linux 8.5, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/ba323e3024cc0cb931d5d0076162ea7d for a full test report.

migueldiascosta · 2023-12-11T06:11:48Z

@boegelbot please test @ jsc-zen2

boegelbot · 2023-12-11T06:15:08Z

@migueldiascosta: Request for testing this PR well received on jsczen2l1.int.jsc-zen2.easybuild-test.cluster

PR test command 'EB_PR=19387 EB_ARGS= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --mem-per-cpu=4000M --job-name test_PR_19387 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

exit code: 0
output:

Submitted batch job 3875

Test results coming soon (I hope)...

Details

- notification for comment with ID 1849387368 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).

migueldiascosta · 2023-12-11T09:41:58Z

@boegelbot please test @ jsc-zen2

boegelbot · 2023-12-11T09:45:08Z

@migueldiascosta: Request for testing this PR well received on jsczen2l1.int.jsc-zen2.easybuild-test.cluster

PR test command 'EB_PR=19387 EB_ARGS= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --mem-per-cpu=4000M --job-name test_PR_19387 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

exit code: 0
output:

Submitted batch job 3876

Test results coming soon (I hope)...

Details

- notification for comment with ID 1849668969 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).

boegelbot · 2023-12-11T09:46:53Z

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen2c1.int.jsc-zen2.easybuild-test.cluster - Linux Rocky Linux 8.5, x86_64, AMD EPYC 7742 64-Core Processor (zen2), Python 3.6.8
See https://gist.github.com/boegelbot/5f8e1dcb6f4c6b1fb89e52df976ec050 for a full test report.

… takes care of that

migueldiascosta · 2023-12-11T09:56:24Z

@boegelbot please test @ jsc-zen2

boegelbot · 2023-12-11T10:00:06Z

@migueldiascosta: Request for testing this PR well received on jsczen2l1.int.jsc-zen2.easybuild-test.cluster

PR test command 'EB_PR=19387 EB_ARGS= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --mem-per-cpu=4000M --job-name test_PR_19387 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

exit code: 0
output:

Submitted batch job 3877

Test results coming soon (I hope)...

Details

- notification for comment with ID 1849708713 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).

boegelbot · 2023-12-11T10:01:47Z

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen2c1.int.jsc-zen2.easybuild-test.cluster - Linux Rocky Linux 8.5, x86_64, AMD EPYC 7742 64-Core Processor (zen2), Python 3.6.8
See https://gist.github.com/boegelbot/baca82c5b488d367786dec7fe2d3e254 for a full test report.

verdurin · 2023-12-12T09:39:45Z

Test report by @verdurin
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
easybuild-c7.novalocal - Linux CentOS Linux 7.9.2009, x86_64, Intel Xeon Processor (Skylake, IBRS), Python 3.6.8
See https://gist.github.com/verdurin/ccb0ab0f8f1beda0ef48978a9cb8c199 for a full test report.

verdurin

Looks fine.

verdurin · 2023-12-12T09:41:54Z

Going in, thanks @migueldiascosta!

adding easyconfigs: CPMD-4.3-foss-2022a.eb and patches: CPMD-4.3_gfor…

d767155

…tran.patch

migueldiascosta added the new label Dec 11, 2023

migueldiascosta added this to the 4.x milestone Dec 11, 2023

remove redundant OMP3_DISABLE environment variable, the patch already…

5cfda4e

… takes care of that

verdurin approved these changes Dec 12, 2023

View reviewed changes

verdurin modified the milestones: 4.x, next release (4.9.0?) Dec 12, 2023

verdurin merged commit b7f6887 into easybuilders:develop Dec 12, 2023

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migueldiascosta commented Dec 11, 2023

Uh oh!

migueldiascosta commented Dec 11, 2023

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boegelbot commented Dec 11, 2023

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migueldiascosta commented Dec 11, 2023

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boegelbot commented Dec 11, 2023

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migueldiascosta commented Dec 11, 2023

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boegelbot commented Dec 11, 2023

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migueldiascosta commented Dec 11, 2023

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boegelbot commented Dec 11, 2023

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boegelbot commented Dec 11, 2023

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verdurin commented Dec 12, 2023

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