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
--
========================================
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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