On 5/16/13 9:14 PM, Leandro Bortot wrote:
Dear all,
I have just updated the GROMACS installation at a local cluster which
have 2 GPUs. I installed CUDA 5 with no problems and it was detected by
cmake. No problems during installation.
With GROMACS 4.5 I was able to use the GPUs of this same cluster, but
now GROMACS 4.6 says that it can't detect the GPUs:
when I use -gpu_id 01 (0 and 1 were the IDs I used before) , -gpu_id 0
or -gpu_id 1:
Fatal error:
Some of the requested GPUs do not exist, behave strangely, or are not
compatible:
without -gpu_id, but with -nb gpu :
Fatal error:
GPU acceleration requested, but no compatible GPUs were detected.
I searched the list but couldn't find anything about this particular
case.
Am I doing something wrong? Do I need to activate CUDA or something
like this? The CUDA version which GROMACS 4.5 was using is 3.1
Any ideas about how could I solve this?
What are the GPU cards? Do they meet the minimum requirements for Gromacs'
native 4.6 GPU acceleration?
-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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