What is the most recent supported version of CUDA to install for the next year or so?

The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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lewis martin
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What is the most recent supported version of CUDA to install for the next year or so?

Post by lewis martin » Wed Jul 17, 2019 1:03 am

Hi team,
Can someone please advise on what version of CUDA they recommend? I am setting up a new workstation and due to a combination of inexperience, unsupported drivers on Ubuntu, and packages requiring different CUDAs I prefer to find one that works and settle on it. I'm mostly just looking to keep up with OpenMM updates.

Right now I'm thinking 10.0 which is apparently supported for OpenMM 7.3 and will also be for OpenMM 7.4, but 'conda search -c omnia openmm' shows only up to py37_cuda92_rc_2. I haven't installed any CUDA yet.

I also found 'omnia/label/cuda100 openmm' and would appreciate someone telling me if that's the way to go!
Thanks!
Lewis

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Peter Eastman
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Re: What is the most recent supported version of CUDA to install for the next year or so?

Post by Peter Eastman » Wed Jul 17, 2019 2:13 am

Yes, 10.0 should be a fine version that will be supported for a long time. And yes, omnia/label/cuda100 is the right way to install it. See http://docs.openmm.org/latest/userguide ... ing-openmm.

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lewis martin
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Re: What is the most recent supported version of CUDA to install for the next year or so?

Post by lewis martin » Wed Jul 17, 2019 3:02 pm

Thanks a lot !

edit: well perhaps things have changed but I found it very easy to just allow the cuda10.0 runfile to install the driver (410 or so), using ubuntu 18.04

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