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Selecting GPU(s) for Prediction #94

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@rjrich

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@rjrich

I am running Protenix on a local Linux machine in a conda environment. My machine has 2 x Nvidia A6000 GPUs (CUDA visible devices 0 and 1). If I wanted to select GPU1 for Protenix predictions, would I just put "CUDA_VISIBLE_DEVICES=1" on the command line in front of "protenix predict ..."? In addition, is it possible to distribute the calculations over both GPUs? If so, how? Thank you.

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