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

[jesmin jahan]

Hi Justin,

Thanks for your reply.

Do you mean that Gromacs does not support tesla M2090?

I have used the force-device=yes option. But the problem is, it runs
but does not give me GB-polarization energy, It only gives the  the
potential energy.
I intention was to calculate the GB-Energy. In .mdp file I added

constraints         =  none
integrator          =  md
pbc                 =  no
dt                  =  0.001   ; ps
nsteps              =  0 ; 100000 ps = 100 ns
rcoulomb            = 1
rvdw                = 1
rlist               =1
nstgbradii          = 1
rgbradii            = 1
implicit_solvent    =  GBSA
gb_algorithm        =  OBC ; Still
sa_algorithm        =  None


Thanks,
Jesmin

On Sat, Aug 25, 2012 at 11:25 AM, Justin Lemkul <jalemkul at vt.edu> wrote:
>
>
> 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 The list is simply outdated and will be updated in the next version.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
>
> --
> ========================================
>
> 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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-- 
Jesmin Jahan Tithi
PhD Student, CS
Stony Brook University, NY-11790.