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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.
The text was updated successfully, but these errors were encountered:
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.
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
changed the title
Separate resources for PhononsWorkChain and DielectricWorkChain
Separate resources for the QE app
Sep 20, 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.
The text was updated successfully, but these errors were encountered: