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{chem}[foss/2019b,fosscuda/2019b] NAMD v2.14 #11090

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merged 10 commits into from
Aug 14, 2020
Merged

{chem}[foss/2019b,fosscuda/2019b] NAMD v2.14 #11090

merged 10 commits into from
Aug 14, 2020

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edmondac
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@edmondac edmondac commented Aug 11, 2020 •
edited by boegel
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This requires easybuilders/easybuild-easyblocks#2113

(created using eb --new-pr)

edit: now also requires easybuilders/easybuild-easyblocks#2118

@edmondac
adding easyconfigs: NAMD-2.14-foss-2019b-mpi.eb, NAMD-2.14-fosscuda-2…
5c22801 
…019b.eb and patches: NAMD-2.14_Linux-POWER-cuda.patch, charm_6.10.2.patch
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Test report by @bear-rsg
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
bear-pg0305u03a.bear.cluster - Linux RHEL 7.6, POWER, 8335-GTX, Python 3.6.8
See https://gist.github.com/d4de4a2bd99dcca484415b2e8ba5237d for a full test report.

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Test report by @bear-rsg
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
bear-pg0211u03a.bear.cluster - Linux centos linux 7.8.2003, x86_64, Intel(R) Xeon(R) Gold 6248 CPU @ 2.50GHz, Python 3.6.8
See https://gist.github.com/80e8f57a62a266dfca5f2c178124071c for a full test report.

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Test report by @bear-rsg
SUCCESS
Build succeeded for 5 out of 5 (2 easyconfigs in this PR)
bear-pg0212u27a.bear.cluster - Linux centos linux 7.8.2003, x86_64, Intel(R) Xeon(R) CPU E5-2640 v4 @ 2.40GHz, Python 3.6.8
See https://gist.github.com/2455105e83e5b28fbba886eccb452bd0 for a full test report.

@edmondac edmondac mentioned this pull request Aug 12, 2020
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Update NAMD-2.14_Linux-POWER-cuda.patch
343d1ea 
Adding a comment and author to the patch
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Test report by @bear-rsg
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
bear-pg0305u05a.bear.cluster - Linux RHEL 7.6, 8335-GTX, Python 2.7.5
See https://gist.github.com/bc4ef9662180b2924d732ccc182bb2f0 for a full test report.

@edmondac edmondac requested a review from smoors August 13, 2020 14:06
@smoors smoors mentioned this pull request Aug 14, 2020
Merged
@boegel boegel added the update label Aug 14, 2020
@boegel boegel added this to the next release (4.2.3?) milestone Aug 14, 2020
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Test report by @bear-rsg
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in this PR)
bear-pg0212u27a.bear.cluster - Linux centos linux 7.8.2003, x86_64, Intel(R) Xeon(R) CPU E5-2640 v4 @ 2.40GHz, Python 3.6.8
See https://gist.github.com/5be70dad03574f822ef517727753e3fc for a full test report.

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Test report by @bear-rsg
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in this PR)
bear-pg0305u03a.bear.cluster - Linux RHEL 7.6, POWER, 8335-GTX, Python 3.6.8
See https://gist.github.com/74340fcfa6c11096d4a5b77b8efc7045 for a full test report.

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Test report by @bear-rsg
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
bear-pg0305u03a.bear.cluster - Linux RHEL 7.6, POWER, 8335-GTX, Python 3.6.8
See https://gist.github.com/acf663b78466af7ddc0b32b49f6df187 for a full test report.

@edmondac edmondac mentioned this pull request Aug 14, 2020
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Test report by @bear-rsg
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in this PR)
bear-pg0212u27a.bear.cluster - Linux centos linux 7.8.2003, x86_64, Intel(R) Xeon(R) CPU E5-2640 v4 @ 2.40GHz, Python 3.6.8
See https://gist.github.com/39b8f456bb99a57428577505b2d0cf68 for a full test report.

@edmondac
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Test report by @bear-rsg
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
bear-pg0212u27a.bear.cluster - Linux centos linux 7.8.2003, x86_64, Intel(R) Xeon(R) CPU E5-2640 v4 @ 2.40GHz, Python 3.6.8
See https://gist.github.com/e01b915f64d8bd074430aed88b045ae1 for a full test report.

@branfosj
Merge pull request #266 from boegel/20200811151158_new_pr_NAMD214
0f37d99 
fix typo in source_urls for NAMD 2.14: %(versin)s -> %(version)s
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boegel commented Aug 14, 2020

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in this PR)
node3309.joltik.os - Linux centos linux 7.8.2003, x86_64, Intel(R) Xeon(R) Gold 6242 CPU @ 2.80GHz (cascadelake), Python 3.6.8
See https://gist.github.com/43d95ac95dd48881e76b7a4a47e594f5 for a full test report.

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boegel commented Aug 14, 2020 •
edited
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@boegelbot please test @ generoso
EB_ARGS=NAMD-2.14-foss-2019b-mpi.eb

@easybuilders easybuilders deleted a comment from boegelbot Aug 14, 2020
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@boegel: Request for testing this PR well received on generoso

PR test command 'EB_PR=11090 EB_ARGS=NAMD-2.14-foss-2019b-mpi.eb /apps/slurm/default/bin/sbatch --job-name test_PR_11090 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 5026

Test results coming soon (I hope)...

- notification for comment with ID 674140075 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).

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Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
generoso-x-1 - Linux centos linux 8.2.2004, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/0fadb5f099131edfcdd5265308a4aec0 for a full test report.

@boegel boegel dismissed smoors’s stale review August 14, 2020 19:33

author + descr added to patch

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boegel approved these changes Aug 14, 2020
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lgtm

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boegel commented Aug 14, 2020

Going in, thanks @edmondac!

@boegel boegel merged commit 6e3b3c8 into easybuilders:develop Aug 14, 2020
This was referenced Aug 14, 2020
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@boegel boegel boegel approved these changes

@smoors smoors Awaiting requested review from smoors

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