On Mon, Apr 29, 2013 at 3:51 PM, Albert <mailmd2...@gmail.com> wrote:
> 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

Sort of, but the value does not matter. So if your shell is bash, the
above as well as simply "export GMX_CUDA_STREAMSYNC=" will work fine.

Let us know if this avoided the crash - when you have simulated long
enough to be able to judge.

Cheers,
--
Szilárd

>
> ?
>
> THX
> Albert
>
>
>
>
> --
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