[gmx-users] Gromacs-GPU with an Nvidia GeForce GTX 580 error?

[Szilárd Páll]

Hi Matt,

Yes, you should use the "force-device=yes" option, the patch which was
meant to update the list of compatible GPUs didn't make it for 4.5.5.

Cheers,
--
Szilárd



On Sun, Oct 23, 2011 at 10:24 PM, Matt Larson <larsonmattr at gmail.com> wrote:
> I am having an error trying to use a compiled mdrun-gpu on my GPU setup here:
>
>
> Fatal error:
> The selected GPU (#0, GeForce GTX 580) is not supported by Gromacs!
> Most probably you have a low-end GPU which would not perform well, or
> new hardware that has not been tested with the current release. If you
> still want to try using the device, use the force-device=yes option.
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
>
>
> ----
>
>  From what I can tell, the GTX 580 should be supported as of this
> version of gromacs (4.5.5) - as it is listed in the supported cards.
> I have openmm and CUDA libraries installed.
>
> - Openmm passes the test with
> /usr/local/openmm/bin/TestReferenceHarmonicBondForce.
> - NVIDIA driver is NVIDIA-Linux-x86_64-270.41.19
> (devdriver_4.0_linux_64_270.41.19.run patched with the
> nvidia_kernel-3.0-rc1.patch to let it be installed on ubuntu 11.10).
> - the NVIDIA_GPU_Computing_SDK examples run.
>
>  I've also tried with the normal NVIDIA x86_64-280.13 driver, but same error.
>
>  From the gromacs GPU page
> (http://www.gromacs.org/Downloads/Installation_Instructions/GPUs) it
> is clear that the GTX 580 has been run with gromacs.
>
>  Should I use the "force-device" option to use GTX 580, or is there a
> reason that gromacs doesn't think it has support for this GTX 580
> card?
>
>  Thanks much,
>  Matt Larson
> --
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