openmm / NNPOps

High-performance operations for neural network potentials
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CI with GPU #46

Open raimis opened 2 years ago

raimis commented 2 years ago

NNPOps is primarily developed for GPU, but the current CI doesn't test on GPU.

Maybe we could use the infrastructure as OpenMM for the GPU testing: https://jenkins.jasonswails.com/blue/organizations/jenkins/openmm-github%2Fopenmm/detail/master/176/pipeline/8

raimis commented 2 years ago

This also applies to OpenMM-Torch