[gmx-users] Error:The selected GPU (#0, Tesla M2090) is not supported by Gromacs!

[Justin Lemkul]

On 8/25/12 10:57 AM, jesmin jahan wrote:
> Dear all,
> I got the following error while running mdrun-gpu, I got the following error:
>
> The selected GPU (#0, Tesla M2090) is not supported by Gromacs!
> Although in the Gromacs site , it says that Tesla M2090 is supported.
>
> Then,  I have used mdrun-gpu -device
> "OpenMM:platform=Cuda,memtest=15,deviceid=0,force-device=yes" -s
> imd.tpr command.
> I got the following warning and I am using this for calculating
> GB-polarization energy, but the result does not contains
> GB-polarization energy at all.
> WARNING: Non-supported GPU selected (#0, Tesla M2090), forced
> continuing.Note, that the simulation can be slow or it migth even
> crash.
>
> Started mdrun on node 0 Sat Aug 25 00:04:18 2012
>
>             Step           Time         Lambda
>                0        0.00000        0.00000
>
>     Energies (kJ/mol)
>        Potential    Kinetic En.   Total Energy    Temperature
>     -2.22432e+05    0.00000e+00   -2.22432e+05    0.00000e+00
>
> If anyone has ever experienced this kind of problem, or knows the
> solution, please let me know. Thanks in advance.

The list is simply outdated and will be updated in the next version.  Your 
command line (using force-device=yes) is the only workaround.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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