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📚 README.md correct supported Python version
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@mbercx
mbercx committed Nov 23, 2023
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# aiida-quantumespresso-hp
AiiDA plugin for the Hubbard module of Quantum ESPRESSO.
The plugin requires HP v6.5 or above and is not compatible with older versions.
The plugin requires HP v7.2 or above and is not compatible with older versions.

# Requirements
This package depends directly on `aiida-core>=2.0.0` and the `aiida-quantumespresso>=4.0.0` package.

6 comments on commit bd952ac

@bastonero
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Actually it is also compatible with 7.1 (; (although, no q-point parallelization)

@mbercx
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@mbercx mbercx commented on bd952ac Nov 23, 2023

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It is? I think @t-reents tried it on Daint and ran into issues, but maybe it wasn't related to the QE version. 😅

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It should in principle, although the ParallelizeQpointsWorkChain won't. As this is not enabled by default, I would be suprised it doesn't work. Anyhow, probably it's safer to keep 7.2

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I'll have to check it again whether I also encountered a problem using the serial approach but indeed, I remember having issues when using the parallelization.

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You tried the q-points or the atom parallelization?

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@mbercx mbercx commented on bd952ac Nov 23, 2023

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Anyhow, probably it's safer to keep 7.2

Yes, else people (e.g. future Marnik) will try using v7.1 with the q-points parallelization for sure, even if we document it. ;)

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