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

[Szilárd Páll]

Hi Matt,

>  Thanks- gromacs 4.5.5 is working with my NVidia card with the "force
> option".  I found one weirdness - if I check the card temperature
> (using NVIDIA's configuration tool in X11) it seems like this messes
> up the MR and all the trajectories after that point have no atoms in
> VMD.  So, that's probably not a good thing.

Wow, that sounds crazy. What driver version are you using? Try to
update your device driver + nvidia-settings - I've been using
285.05.05/09 without problems.

--
Szilárd



>  Thanks,
>  Matt
>
> On Mon, Oct 24, 2011 at 2:44 PM, Szilárd Páll <szilard.pall at cbr.su.se> wrote:
>> 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
>>> --
>>> gmx-users mailing list    gmx-users at gromacs.org
>>> http://lists.gromacs.org/mailman/listinfo/gmx-users
>>> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
>>> Please don't post (un)subscribe requests to the list. Use the
>>> www interface or send it to gmx-users-request at gromacs.org.
>>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>>
>> --
>> gmx-users mailing list    gmx-users at gromacs.org
>> http://lists.gromacs.org/mailman/listinfo/gmx-users
>> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
>> Please don't post (un)subscribe requests to the list. Use the
>> www interface or send it to gmx-users-request at gromacs.org.
>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>