{phys}[foss/2022a] HOOMD-blue v4.0.1 w/ Python 3.10.4 by akesandgren · Pull Request #18224 · easybuilders/easybuild-easyconfigs

akesandgren · 2023-06-29T06:09:42Z

(created using eb --new-pr)

akesandgren · 2023-06-29T06:15:05Z

Test report by @akesandgren
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
b-cn1606.hpc2n.umu.se - Linux Ubuntu 22.04, x86_64, AMD EPYC 7763 64-Core Processor, Python 3.10.6
See https://gist.github.com/akesandgren/691c05bcb619a9012dbe49106abeb593 for a full test report.

akesandgren · 2023-06-29T06:35:49Z

Test report by @akesandgren
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
b-an02.hpc2n.umu.se - Linux Ubuntu 20.04, x86_64, Intel(R) Xeon(R) CPU E5-2690 v4 @ 2.60GHz, Python 3.8.10
See https://gist.github.com/akesandgren/b8902430e90d2c09b4b573060dc99c78 for a full test report.

branfosj · 2023-06-29T07:08:38Z

Test report by @branfosj
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in total)
bear-pg0105u03a.bear.cluster - Linux RHEL 8.6, x86_64, Intel(R) Xeon(R) Platinum 8360Y CPU @ 2.40GHz (icelake), Python 3.6.8
See https://gist.github.com/branfosj/b0e6e824d6d241fc7397d1ed8bc27802 for a full test report.

akesandgren · 2023-06-29T08:14:57Z

What is going o nhere??

I see no problems whatsoever in my builds...

Is it picking up something from the OS that it shouldn't?

akesandgren · 2023-06-29T12:16:33Z

@branfosj what was actually failing in your test of this one?

branfosj · 2023-06-29T13:34:40Z

@boegelbot please test @ jsc-zen2

boegelbot · 2023-06-29T13:37:10Z

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

PR test command 'EB_PR=18224 EB_ARGS= /opt/software/slurm/bin/sbatch --mem-per-cpu=4000M --job-name test_PR_18224 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

exit code: 0
output:

Submitted batch job 2917

Test results coming soon (I hope)...

Details

- notification for comment with ID 1613194571 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 · 2023-06-29T13:46:51Z

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/a3213a80ceaa5cb771544f14eb7ff23f for a full test report.

branfosj · 2023-06-29T14:02:40Z

What is going o nhere??

I see no problems whatsoever in my builds...

Is it picking up something from the OS that it shouldn't?

I've found the issue. It is picking up the Python from my EasyBuild virtualenv instead of the Python from the dependency.

-- Found PythonInterp: /rds/projects/2017/branfosj-rse/easybuild/venv-dev-EL8/bin/python (found suitable version "3.6.8", minimum required is "3")
-- Found PythonLibs: /usr/lib64/libpython3.6m.so

Neither of -DPython_EXECUTABLE=$EBROOTPYTHON/bin/python or -DPython_ROOT_DIR=$EBROOTPYTHON has fixed it.

akesandgren · 2023-06-30T05:26:53Z

Ok, let me check...

akesandgren · 2023-06-30T05:35:13Z

Try setting -DPYTHON_EXECUTABLE=.... this comes from CMake/3.24's deprecated FindPythonInterp

branfosj · 2023-07-01T17:50:12Z

@boegelbot please test @ generoso

branfosj · 2023-07-01T17:53:17Z

Test report by @branfosj
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
bear-pg0105u03a.bear.cluster - Linux RHEL 8.6, x86_64, Intel(R) Xeon(R) Platinum 8360Y CPU @ 2.40GHz (icelake), Python 3.6.8
See https://gist.github.com/branfosj/26fdaa24ec8d29ded5985f97d2d17d35 for a full test report.

boegelbot · 2023-07-01T17:55:09Z

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

PR test command 'EB_PR=18224 EB_ARGS= EB_CONTAINER= /opt/software/slurm/bin/sbatch --job-name test_PR_18224 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 11191

Test results coming soon (I hope)...

Details

- notification for comment with ID 1616018570 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).

branfosj · 2023-07-01T17:55:25Z

@boegelbot please test @ jsc-zen2

boegelbot · 2023-07-01T17:57:08Z

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

PR test command 'EB_PR=18224 EB_ARGS= /opt/software/slurm/bin/sbatch --mem-per-cpu=4000M --job-name test_PR_18224 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

exit code: 0
output:

Submitted batch job 2942

Test results coming soon (I hope)...

Details

- notification for comment with ID 1616019670 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 · 2023-07-01T18:15:35Z

Test report by @boegelbot
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in total)
cns1 - 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/dfef27a9f9ce1bbd021b7385af0e5e08 for a full test report.

branfosj · 2023-07-01T18:18:05Z

@boegelbot please test @ generoso
CORE_CNT=16

boegelbot · 2023-07-01T18:20:09Z

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

PR test command 'EB_PR=18224 EB_ARGS= EB_CONTAINER= /opt/software/slurm/bin/sbatch --job-name test_PR_18224 --ntasks="16" ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 11193

Test results coming soon (I hope)...

Details

- notification for comment with ID 1616034262 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 · 2023-07-01T18:28:33Z

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
cnx1 - Linux Rocky Linux 8.5, x86_64, Intel(R) Xeon(R) CPU E5-2690 v3 @ 2.60GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/67f450ed4a8dece2031558eecc4a1ccf for a full test report.

branfosj · 2023-07-02T10:44:41Z

@boegelbot please test @ generoso

boegelbot · 2023-07-02T10:45:09Z

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

PR test command 'EB_PR=18224 EB_ARGS= EB_CONTAINER= /opt/software/slurm/bin/sbatch --job-name test_PR_18224 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 11195

Test results coming soon (I hope)...

Details

- notification for comment with ID 1616592030 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).

branfosj · 2023-07-02T10:45:51Z

@boegelbot please test @ jsc-zen2

boegelbot · 2023-07-02T10:47:08Z

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

PR test command 'EB_PR=18224 EB_ARGS= /opt/software/slurm/bin/sbatch --mem-per-cpu=4000M --job-name test_PR_18224 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

exit code: 0
output:

Submitted batch job 2944

Test results coming soon (I hope)...

Details

- notification for comment with ID 1616592233 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).

branfosj · 2023-07-02T10:53:04Z

Test report by @branfosj
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
bear-pg0105u03a.bear.cluster - Linux RHEL 8.6, x86_64, Intel(R) Xeon(R) Platinum 8360Y CPU @ 2.40GHz (icelake), Python 3.6.8
See https://gist.github.com/branfosj/9b903045a5d8460792b5f254170e19a7 for a full test report.

boegelbot · 2023-07-02T10:56:26Z

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/255e5ba53d46e66746b52b0898a457e7 for a full test report.

boegelbot · 2023-07-02T11:05:58Z

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
cns1 - 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/c7536c36451b152731081f602b89dba5 for a full test report.

branfosj · 2023-07-02T11:31:21Z

Going in, thanks @akesandgren!

adding easyconfigs: HOOMD-blue-4.0.1-foss-2022a.eb

f78ae8f

akesandgren added the new label Jun 29, 2023

akesandgren added this to the 4.x milestone Jun 29, 2023

akesandgren mentioned this pull request Jun 29, 2023

{phys}[foss/2022a] HOOMD-blue v4.0.1 w/ Python 3.10.4 + CUDA 11.7.0 #18218

Merged

branfosj reviewed Jul 1, 2023

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Comment thread easybuild/easyconfigs/h/HOOMD-blue/HOOMD-blue-4.0.1-foss-2022a.eb

point cmake at the EB Python

57b8cdd

branfosj modified the milestones: 4.x, next release (4.7.3?) Jul 1, 2023

branfosj previously approved these changes Jul 1, 2023

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branfosj reviewed Jul 2, 2023

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Comment thread easybuild/easyconfigs/h/HOOMD-blue/HOOMD-blue-4.0.1-foss-2022a.eb

branfosj dismissed their stale review via c137831 July 2, 2023 10:44

allow OpenMPI oversubscription

c137831

branfosj approved these changes Jul 2, 2023

View reviewed changes

branfosj merged commit 7529e5f into easybuilders:develop Jul 2, 2023

akesandgren deleted the 20230629080925_new_pr_HOOMD-blue401 branch July 3, 2023 05:29

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