[gmx-users] gromacs 4.6 on NVIDIA K10

sebastian sebastian.waltz at physik.uni-freiburg.de
Fri Dec 14 16:09:29 CET 2012

Dear gromacs users,

I run into problems when I try to use the NVIDIA tesla K10 GPUs with mdrun.
Looking at the cmake log file I find this lines:

-- Looking for NVIDIA GPUs present in the system
-- Number of NVIDIA GPUs detected: 2
-- Found CUDA: /usr/local/cuda (found suitable version "4.2", required 
is "3.2")
-- Enabling native GPU acceleration

so everything seems to work fine during configuration and since running 
make also does not complain also during compilation.
Now if I run mdrun on a test system I get the following error:

Error occurred during GPU detection:
       no CUDA-capable device is detected
       Can not use GPU acceleration, will fall back to CPU kernels

How can I get mdrun working on the K10?

Any hint is welcomed.



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