Query regarding GPU

[AsifShah]

Dear Admin,
We plan to perform QATK calculations on GPU.
Are there any particular GPU specifications we should consider for running QATK before buying one?

[Anders Blom]

So far we only support ForceField calculations on GPU, and only some of them.

We haven't formulated any specific requirements, but it only works with CUDA, so obviously it should be a Nvidia GPU.

Otherwise I think the usual considerations apply, balance performance vs. price and get a modern GPU, but probably no need for the absolutely newest model or highest spec.

[AsifShah]

Thanks for your response.