Re: NAMD-GPU

From: Aron Broom (broomsday_at_gmail.com)
Date: Wed May 14 2014 - 09:54:20 CDT

if you have 4 CUDA devices (GPUs), you need at least 4 processors (CPU
cores).

On Wed, May 14, 2014 at 8:51 AM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

>
>
>
> On Wed, May 14, 2014 at 8:19 AM, Ramin Ekhteiari <
> ramin_ekh_at_remove_yahoo.com> wrote:
>
>> Hi dears,
>>
>> I am trying to run NAMD-CUDA version on a batch system, when I do it
>> without PME facility, I
>> ​​
>> face with no problem but when employing PME I face with this problem **FATAL
>> ERROR: PME offload requires exactly one CUDA device per process*
>>
>
> ​[...]​
>
>
>
>> Would be grateful for any suggestion.
>>
>
>
> ​i don't understand this question. NAMD *told* you what is wrong.​ you
> obviously do not conform to that constraint.
>
> axel.
>
>
>
>>
>> Cheers,
>> Ramin.
>>
>>
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.
>

-- 
Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo

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