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Separate resources for the QE app #79

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AndresOrtegaGuerrero opened this issue Jul 28, 2024 · 0 comments
Open
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Separate resources for the QE app #79

AndresOrtegaGuerrero opened this issue Jul 28, 2024 · 0 comments
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@AndresOrtegaGuerrero
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AndresOrtegaGuerrero commented Jul 28, 2024

When submitting the HarmonicWorkChain , the workchain fails because the resources of one of the two child workchain arent enough or too much (problem in gpu implementation of qe).
A solution could be to separate the definition of the resources.

We provide other two pw codes, a phonon-pw and a dielectric-pw, in this way is not invasive to the rest of the codes.

In the future, at the qe-app level, we should be able to distribute different resources only with one pw code (like a table with one code selected and all the workchains which are going to use it.

  • TODO open an issue in the qe-app.
@mikibonacci mikibonacci self-assigned this Sep 19, 2024
mikibonacci added a commit that referenced this issue Sep 19, 2024
This addresses #11  and #79

Now we have two new pw codes, dedicated for Phonon and Dielectric WorkChains. This is not very optimal but it works.
Test for verification of separated resources is provided.
mikibonacci added a commit that referenced this issue Sep 20, 2024
This addresses #11  and #79

Now we have two new pw codes, dedicated for Phonon and Dielectric WorkChains. This is not very optimal but it works.
Test for verification of separated resources is provided.
@mikibonacci mikibonacci changed the title Separate resources for PhononsWorkChain and DielectricWorkChain Separate resources for the QE app Sep 20, 2024
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