[gmx-users] Problem with gromacs-4.6 compilation on Debian
jalemkul at vt.edu
Thu Jan 24 15:28:34 CET 2013
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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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