[gmx-users] Problem with gromacs-4.6 compilation on Debian
szilard.pall at cbr.su.se
Thu Jan 24 15:48:29 CET 2013
On Thu, Jan 24, 2013 at 3:28 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> 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
>> 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
>> 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).
Exactly! Anything below CC 2.0 lacks certain features that make those
devices rather slow for our algorithms and therefore pretty much
> 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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