Why can't GPU be used for inference?

nrbennet / dl_binder_design

MIT License

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Why can't GPU be used for inference? #24

Closed aw10279 closed 11 months ago

aw10279 commented 1 year ago

When I run interfaceAF2predict.py and dl_interface_design.py to make inferences, I found only CPU being used. I'm sure the cuda has been installed by .yml file and GPU works fine in other programs. So how can I use my GPU for inference?

nrbennet commented 11 months ago

I have added test scripts next to the environment .yml files that will test whether the environment has been correctly installed and can use the GPU you have. If you are having issues with this you may need to change the CUDA version that is being installed in the environment.