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DeltaGroupNJUPT / Vina-GPU

A heterogeneous OpenCL implementation of AutoDock Vina
Apache License 2.0
83 stars 20 forks source link

Quick Clarifying Question about GPUs #16

Closed papaSneetch closed 2 years ago

papaSneetch commented 2 years ago

So while testing the program we noticed that it wasn't using all of the gpus on our system. It looks like Vina-GPU is successful detecting all the gpus based on this output.

Using random seed: 1833385468

Platform: NVIDIA CUDA
Device: Tesla V100S-PCIE-32GB

Device: Tesla V100S-PCIE-32GB

Device: Tesla V100S-PCIE-32GB

Device: Tesla V100S-PCIE-32GB

Search depth is set to 6

However, Vina-GPU is using only one gpu based on some diagnostics tools that I used. It's probably something to do with how things are configured in our system that I'll need to find, however I just wanted to confirm real quick if Vina-GPU is designed to fully utilize multiple gpus in a system or just a singular one. I'll assume its designed to use multiple, however if it isn't designed with multiple gpus in mind, that would be nice to know so I don't go on a wild goose chase.

Glinttsd commented 2 years ago

Hi, currently Vina-GPU is designed to use single GPU card.

papaSneetch commented 2 years ago

Thanks for letting me know. I guess this would be a feature request then.