[gmx-users] Problem with gromacs-4.6 compilation on Debian

[Justin Lemkul]

On 1/24/13 9:23 AM, James Starlight wrote:
> oh that was simply solved by upgrading of G++ :)
>
> the only problem which remains is the missing of support of mu GPU :(
> That time I've tried to start simulation on simply 2 cores CPU + geforce 9500
>
>>From md run I've obtained
>
> NOTE: Error occurred during GPU detection:
>        CUDA driver version is insufficient for CUDA runtime version
>        Can not use GPU acceleration, will fall back to CPU kernels.
>
> ED sampling will be performed!
> ED: Reading edi file new_a2a_pca_biased.edi
> ED: Note: Reference and average structure are composed of the same atom indices.
> ED: Found 1 ED group.
> Using 1 MPI thread
> Using 2 OpenMP threads
>
> No GPUs detected
>
>
> I've installed cuda-5.0 with driver
> NVRM version: NVIDIA UNIX x86_64 Kernel Module  304.54  Sat Sep 29
> 00:05:49 PDT 2012
>
> that system works fine with the recent nvidia GPU's but has no support
> for GeForce 9500.
>

GeForce 9500 cards have a compute capability of 1.1.  The minimum required for 
Gromacs is 2.0 (noted in the installation instructions).

-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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