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Horovod integration #80

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NicoRenaud opened this issue Mar 9, 2021 · 1 comment
Open
3 tasks

Horovod integration #80

NicoRenaud opened this issue Mar 9, 2021 · 1 comment
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@matthijsdewit111

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@NicoRenaud
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NicoRenaud commented Mar 9, 2021 •
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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.
@matthijsdewit111 matthijsdewit111 self-assigned this Mar 15, 2021
@NicoRenaud
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There is one issue with the test I think see #90

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