Horovod integration - Githubissues

NLESC-JCER / QMCTorch

Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems

https://qmctorch.readthedocs.io/

Apache License 2.0

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Horovod integration #80

Open NicoRenaud opened 3 years ago

NicoRenaud commented 3 years ago

Starting from the SolverOrbitalHorovod class, study the possibility to distribute the calculation over multiple GPUs. Both the sampling and the optimization are distributed. I'm not sure if the class still works. Things to look at :

[ ] How the sampling is distributed.
[ ] How is the memory pinned
[ ] How is the optimization distributed.

It would be great to run the code for small molecules (H2, Li2, NH3), on 1, 2, 4 GPUs and see what scaling we have.

NicoRenaud commented 3 years ago

There is one issue with the test I think see #90