mala-project / mala

Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
https://mala-project.github.io/mala/
BSD 3-Clause "New" or "Revised" License
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Implement flexible parallelization #261

Closed RandomDefaultUser closed 1 year ago

RandomDefaultUser commented 2 years ago

For large scale simulations, we need to have MALA highly-parallel. More precisely, we need to address the following:

The first two have been adressed already. For the latter, I envision something like he following:

paralell_MALA

RandomDefaultUser commented 1 year ago

I think the current version of parallelization (except the GPU stuff, which we are working on) works well enough for now. Closing this, since we want to shift inference to GPU anyhow.