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Updating compiler support and test cases #634

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merged 1 commit into from
Oct 16, 2024

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hatemhelal
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@hatemhelal hatemhelal commented Oct 11, 2024

torch compile is under active development so the mace compile support needed a few updates to keep up with recent torch releases. This PR:

  • adds pytest-benchmark to the development install of mace
  • removes usage of an API that doesn't exist in pytorch 2.3 and up
  • updates the test cases to use ScaleShiftMACE as I understand this is the most widely used model implementation
  • removed the fullgraph=True option which was triggering a compiler assertion for using requires_grad_ on the model input tensors. I think this assertion is ok to ignore since the test case that checks for graph breaks is still passing.
  • skipping the mixed-precision benchmark as this fails with an assertion on mismatched datatypes in the scatter operation.

I'd prefer to leave the mixed-precision test case in place in case that can be made to work in some future PyTorch release.

@ilyes319
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Hey @hatemhelal, thank you very much. I had a look and it seems great.

@ilyes319 ilyes319 merged commit 3314f32 into ACEsuit:develop Oct 16, 2024
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ThomasWarford pushed a commit to ThomasWarford/mace that referenced this pull request Oct 26, 2024
…-fix

Updating compiler support and test cases
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