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{phys}[Cray*,foss/2019b,intel/2019b,iomkl/2019b] CASTEP v21.1.1#14420

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jfgrimm merged 10 commits intoeasybuilders:developfrom
krefson:20211124172918_new_pr_CASTEP2111
Feb 9, 2022
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{phys}[Cray*,foss/2019b,intel/2019b,iomkl/2019b] CASTEP v21.1.1#14420
jfgrimm merged 10 commits intoeasybuilders:developfrom
krefson:20211124172918_new_pr_CASTEP2111

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@krefson
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@krefson krefson commented Nov 24, 2021

…yGNU-19.06.eb, CASTEP-21.1.1-foss-2019b.eb, CASTEP-21.1.1-intel-2019b.eb, CASTEP-21.1.1-iomkl-2019b.eb

…yGNU-19.06.eb, CASTEP-21.1.1-foss-2019b.eb, CASTEP-21.1.1-intel-2019b.eb, CASTEP-21.1.1-iomkl-2019b.eb
@migueldiascosta
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thanks for your contribution @krefson!

we'll likely need a test report from you, it would be good if you could set up easybuild's github integration (https://docs.easybuild.io/en/latest/Integration_with_GitHub.html, it will also help with other stuff) and submit one

regarding the failing tests, you can check them locally with --check-contrib (https://docs.easybuild.io/en/latest/Contributing.html) - it's basically a few style issues and missing checksums, which you can add automatically with --inject-checksums (https://docs.easybuild.io/en/latest/Writing_easyconfig_files.html#adding-or-replacing-checksums-using-inject-checksums)

do reach out here or on slack if you need any help

@migueldiascosta migueldiascosta added this to the 4.x milestone Nov 29, 2021
@krefson
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krefson commented Feb 2, 2022

Test report by @krefson
FAILED
Build succeeded for 0 out of 3 (5 easyconfigs in total)
cn1052.scarf.rl.ac.uk - Linux CentOS Linux 7 (Core), x86_64, AMD EPYC 7502P 32-Core Processor, 1 x NVIDIA Tesla T4, 460.73.01, Python 3.9.5
See https://gist.github.com/3f2af7bd2e9d4098a68133b250cf31a5 for a full test report.

@krefson
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krefson commented Feb 2, 2022

Test report by @krefson
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
cn1052.scarf.rl.ac.uk - Linux CentOS Linux 7 (Core), x86_64, AMD EPYC 7502P 32-Core Processor, 1 x NVIDIA Tesla T4, 460.73.01, Python 3.9.5
See https://gist.github.com/533392666ba4fd04d04eb7656b35459d for a full test report.

@krefson
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krefson commented Feb 2, 2022

Test report by @krefson
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
cn1052.scarf.rl.ac.uk - Linux CentOS Linux 7 (Core), x86_64, AMD EPYC 7502P 32-Core Processor, 1 x NVIDIA Tesla T4, 460.73.01, Python 3.9.5
See https://gist.github.com/78ba82de6d65f75a03446e387fe657eb for a full test report.

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krefson commented Feb 2, 2022

Test report by @krefson
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in total)
cn1052.scarf.rl.ac.uk - Linux CentOS Linux 7 (Core), x86_64, AMD EPYC 7502P 32-Core Processor, 1 x NVIDIA Tesla T4, 460.73.01, Python 3.9.5
See https://gist.github.com/7205e811e6dcd8f875816c84a5e8ec19 for a full test report.

@krefson
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krefson commented Feb 2, 2022

As far as I am concerned, this is ready to go.

The build failure with the iomlk toolchain was a consequence of a failure of the Intel toolchain to actually run on the AMD processor. I can not test the Cray builds directly as the Cray I have access to does not have Easybuild installed. However the build commands certainly do work on it, and the EasyBuild configuration files differ only in the toolchain chosen.

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krefson commented Feb 3, 2022

Test report by @krefson
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
cn1052.scarf.rl.ac.uk - Linux CentOS Linux 7 (Core), x86_64, AMD EPYC 7502P 32-Core Processor, 1 x NVIDIA Tesla T4, 460.73.01, Python 3.9.5
See https://gist.github.com/bfbae1facd1f0ee9f01bf4478b0b2e44 for a full test report.

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krefson commented Feb 3, 2022

Test report by @krefson
SUCCESS
Build succeeded for 0 out of 0 (1 easyconfigs in total)
cn1052.scarf.rl.ac.uk - Linux CentOS Linux 7 (Core), x86_64, AMD EPYC 7502P 32-Core Processor, 1 x NVIDIA Tesla T4, 460.73.01, Python 3.9.5
See https://gist.github.com/f68b9933a4974c8a692ada88be81c069 for a full test report.

@easybuilders easybuilders deleted a comment from boegelbot Feb 4, 2022
@boegel boegel changed the title adding easyconfigs: CASTEP-21.1.1-CrayCCE-19.06.eb, CASTEP-21.1.1-Cra… {phys}[Cray*,foss/2019b,intel/2019b,iomkl/2019b] CASTEP v21.1.1 Feb 4, 2022
@krefson
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krefson commented Feb 4, 2022

Test report by @krefson
SUCCESS
Build succeeded for 0 out of 0 (1 easyconfigs in total)
cn1052.scarf.rl.ac.uk - Linux CentOS Linux 7 (Core), x86_64, AMD EPYC 7502P 32-Core Processor, 1 x NVIDIA Tesla T4, 460.73.01, Python 3.9.5
See https://gist.github.com/844697c95fb0e13195f19edd1c9d2413 for a full test report.

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jfgrimm commented Feb 7, 2022

Test report by @jfgrimm
SUCCESS
Build succeeded for 3 out of 3 (3 easyconfigs in total)
node032.pri.viking.alces.network - Linux UNKNOWN UNKNOWN, x86_64, Intel(R) Xeon(R) Gold 6138 CPU @ 2.00GHz (skylake_avx512), Python 3.6.8
See https://gist.github.com/fbc7b71bdc67818fc4f98580ff5aa1cc for a full test report.

@dquigley533
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Hi @krefson.

Long time no see.

See also #7209.

Very happy for that (closed) PR to be superseded, but note the comments about difficulty validating the PR due to lack of source code access. You'll be in an better position than me to address that of course!

@krefson
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krefson commented Feb 8, 2022

Test report by @krefson
SUCCESS
Build succeeded for 0 out of 0 (1 easyconfigs in total)
cn1052.scarf.rl.ac.uk - Linux CentOS Linux 7 (Core), x86_64, AMD EPYC 7502P 32-Core Processor, 1 x NVIDIA Tesla T4, 460.73.01, Python 3.9.5
See https://gist.github.com/d429a5bcfd9bd4906ec2ecf60a4a4c5d for a full test report.

@krefson
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krefson commented Feb 8, 2022

Test report by @krefson
SUCCESS
Build succeeded for 0 out of 0 (1 easyconfigs in total)
cn1052.scarf.rl.ac.uk - Linux CentOS Linux 7 (Core), x86_64, AMD EPYC 7502P 32-Core Processor, 1 x NVIDIA Tesla T4, 460.73.01, Python 3.9.5
See https://gist.github.com/86a9892928e8d5e83f5a3536f4c3fa48 for a full test report.

@krefson
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krefson commented Feb 8, 2022

Test report by @krefson
SUCCESS
Build succeeded for 0 out of 0 (1 easyconfigs in total)
cn1052.scarf.rl.ac.uk - Linux CentOS Linux 7 (Core), x86_64, AMD EPYC 7502P 32-Core Processor, 1 x NVIDIA Tesla T4, 460.73.01, Python 3.9.5
See https://gist.github.com/c2ddc1a794aa1dfd6b1f958ad2d4a6ff for a full test report.

@jfgrimm
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jfgrimm commented Feb 8, 2022

Test report by @jfgrimm
SUCCESS
Build succeeded for 3 out of 3 (3 easyconfigs in total)
node084.pri.viking.alces.network - Linux UNKNOWN UNKNOWN, x86_64, Intel(R) Xeon(R) Gold 6138 CPU @ 2.00GHz (skylake_avx512), Python 3.6.8
See https://gist.github.com/eae2338d5aba10503a94ab12eb9e2196 for a full test report.

@jfgrimm jfgrimm modified the milestones: 4.x, next release (4.5.3?) Feb 9, 2022
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jfgrimm commented Feb 9, 2022

Going in, thanks @krefson!

@jfgrimm jfgrimm merged commit 0946034 into easybuilders:develop Feb 9, 2022
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4 participants