On 04/29/2013 03:47 PM, Szilárd Páll wrote:
In that case, while it isn't very likely, the issue could be caused by
some implementation detail which aims to avoid performance loss caused
by an issue in the NVIDIA drivers.

Try running with the GMX_CUDA_STREAMSYNC environment variable set.

Btw, were there any other processes using the GPU while mdrun was running?

Cheers,
--
Szilárd

thanks for kind reply.
There is no any other process when I am running Gromacs.

do you mean I should set GMX_CUDA_STREAMSYNC in the job script like:

export GMX_CUDA_STREAMSYNC=/opt/cuda-5.0

?

THX
Albert



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