[gmx-users] GPU compatibility

Mark Abraham mark.j.abraham at gmail.com
Mon Dec 10 09:23:23 CET 2012

Correct, C1060 does not have the CUDA 2.0 compute capability required for
GROMACS 4.6. We will not have the ability to support GPU cards of lower
capability in the future. Unfortunately, your only GROMACS options are
probably to use the OpenMM functionality in 4.5.x (which is still present
in 4.6, works as far as we know, but is not in our regular test suite and
the feature is probably headed for deprecation). This will not perform as
well as the new native GPU acceleration, and supports a smaller range of
features, but might be better than wasting the GPUs.



On Mon, Dec 10, 2012 at 7:50 AM, Cara Kreck <cara_a_k at hotmail.com> wrote:

> Hi,
> We've got a GPU cluster in our group and have really been looking forward
> to running gromacs on it with full functionality. Unfortunately, it looks
> like our NVIDIA Tesla C1060 cards aren't supported by the 4.6 beta. I was
> just wondering if there was any chance that they would be supported in the
> full version? These cards are only a couple of years old now and were
> bought specifically for running MD.
> Thanks,
> Cara
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