[gmx-users] Error:The selected GPU (#0, Tesla M2090) is not supported by Gromacs!
shraban03 at gmail.com
Sat Aug 25 17:50:16 CEST 2012
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
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
nstgbradii = 1
rgbradii = 1
implicit_solvent = GBSA
gb_algorithm = OBC ; Still
sa_algorithm = None
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
>> 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
>> 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 The list is simply outdated and will be updated in the next version.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 A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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Jesmin Jahan Tithi
PhD Student, CS
Stony Brook University, NY-11790.
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