openmm / NNPOps

High-performance operations for neural network potentials
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Update CI versions #88

Closed raimis closed 1 year ago

raimis commented 1 year ago
peastman commented 1 year ago

Why drop CUDA 10.2?

raimis commented 1 year ago

CUDA 10.2 was dropped by conda-forge (https://github.com/conda-forge/conda-forge-pinning-feedstock/issues/3491)

peastman commented 1 year ago

That just says the PyTorch maintainers are considering dropping it for future PyTorch builds on conda-forge. That doesn't mean we need to stop testing it. Especially since we're still testing older PyTorch versions that provide CUDA 10.2 builds.

raimis commented 1 year ago

It was dropped two months ago (https://github.com/conda-forge/nnpops-feedstock/commit/c983beb33f11cf2bb4d64070aa4ee67ed9553b86)

raimis commented 1 year ago

@RaulPPelaez @sef43 do you see any reason to keep testing on CUDA 10.2?

sef43 commented 1 year ago

@RaulPPelaez @sef43 do you see any reason to keep testing on CUDA 10.2?

I think It seems reasonable to drop

RaulPPelaez commented 1 year ago

I believe there is value in leaving old versions there. If and when CUDA 10.2 tests do not pass then we can decide if its worth to do something about it or simply drop it to reduce maintainer burden as pytorch just did.

raimis commented 1 year ago

OK! Let's keep CUDA 10.2 until it works.

raimis commented 1 year ago

@peastman @RaulPPelaez @sef43 could you review?

RaulPPelaez commented 1 year ago

@peastman @RaulPPelaez @sef43 could you review?

torch 1.13 resulted in some tests failing, I believe that is not solved yet.

raimis commented 1 year ago

Keep in mind, CI doesn't run the tests on GPU.

RaulPPelaez commented 1 year ago

Oh right. Looks fine to me then.