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Rosetta/PyRosetta on GPU

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Rosetta/PyRosetta on GPU

Hello Everyone,


Just wondering whether it is possible to run Rosetta and/or PyRosetta on GPU instead of CPU on a local computer and/or a HPC?



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Mon, 2017-11-06 05:18

We've looked at GPU accelleration for Rosetta in the past, and the conclusion by the people who were playing around with it was that - given how Rosetta does things - there isn't much benefit for GPU acceleration for most of the normal Rosetta protocols. As such, most of Rosetta does not take advantage of the GPU. That said, there are a few sub-protocols which have the facility for GPU accelleration, but unfortunately to enable this you need a special compilation, so most people don't bother.

Mon, 2017-11-06 07:36