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qe7.3.1 for gh200 #92

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qe7.3.1 for gh200 #92

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simonpintarelli
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@simonpintarelli simonpintarelli commented May 9, 2024 •
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TODO: libxc required to disable patch for configure (which is generated by autoconf, but missing at the time it wants to apply the patch) -> open an issue in spack upstream

RMeli
RMeli reviewed May 14, 2024
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recipes/quantumespresso/v7.3.1/gh200/modules.yaml Outdated
Comment on lines 24 to 25
#cray-mpich-binary: 'cray-mpich-{compiler.name}'
#libxc: '{name}/{version}-{compiler.name}'
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Suggested change
#cray-mpich-binary: 'cray-mpich-{compiler.name}'
#libxc: '{name}/{version}-{compiler.name}'

if not needed

RMeli
RMeli reviewed May 15, 2024
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This new configuration needs to be added to config.yaml.

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RMeli commented May 15, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=quantumespresso:v7.3.1

@eth-cscs eth-cscs deleted a comment from simonpintarelli May 15, 2024
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cscs-ci run alps;system=santis;uarch=gh200;uenv=quantumespresso:v7.3.1

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cscs-ci run alps;system=santis;uarch=gh200;uenv=quantumespresso:v7.3.1

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cscs-ci run alps;system=santis;uarch=gh200;uenv=quantumespresso:v7.3.1

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bcumming requested changes May 22, 2024
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Thanks!

I have just got a few small nit-picks.

recipes/quantumespresso/v7.3.1/gh200/repo/packages/nvpl-blas/package.py Outdated Show resolved Hide resolved
recipes/quantumespresso/v7.3.1/gh200/environments.yaml Outdated Show resolved Hide resolved
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cscs-ci run alps;system=santis;uarch=gh200;uenv=quantumespresso:v7.3.1

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cscs-ci run alps;system=santis;uarch=gh200;uenv=quantumespresso:v7.3.1

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cscs-ci run alps;system=santis;uarch=gh200;uenv=quantumespresso:v7.3.1

@simonpintarelli simonpintarelli mentioned this pull request May 23, 2024
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cscs-ci run alps;system=todi;uarch=gh200;uenv=quantumespresso:v7.3.1

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cscs-ci run alps;system=santis;uarch=gh200;uenv=quantumespresso:v7.3.1

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cscs-ci run alps;system=todi;uarch=gh200;uenv=quantumespresso:v7.3.1

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remove nvpl packages
b6da93c 
they are now in alps-cluster-config site repo
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cscs-ci run alps;system=santis;uarch=gh200;uenv=quantumespresso:v7.3.1

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