Yes - to run AMBER 14 pmemd.cuda.MPI you MUST set the GPUs to default
compute mode. As root:
nvidia-smi -c 0
I wish NVIDIA (or Linux) would allow this to be set in user space but alas
not. One could setuid root for the nvidia-smi binary I guess but that
would only work if you implicitly trust all your users.
All the best
Ross
On 5/8/14, 1:31 AM, "ahmed.sajid.stfc.ac.uk" <ahmed.sajid.stfc.ac.uk>
wrote:
>Hi,
>
>Sorry again for ignoring the real question. I'm trying to do Multi-GPU
>run by setting DO_PARALLEL. I guess my coffee hasn't kicked in yet.
>
>Regards,
>Ahmed.
>--
>Scanned by iCritical.
>
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Received on Thu May 08 2014 - 02:30:03 PDT
