[gmx-users] Multi-GPU calculation

[arrow50311]

Hi,

If I put in -gpu_id 0011, will it be the case that the gpu #0 from node 1 be
assigned to both rank 0  and rank 2? What I want is the gpu #0 from node 1
be assigned to rank 0 while gpu #0 from node 2 be assigned to rank 2, is it
possible in that way?

Thank you,


Szilárd Páll-2 wrote
> Hi,
> 
> You need to pass mdrun a *per-node* PP-rank-to-GPU mapping, not a
> global one. Hence, in your case, you should pass -gpu_id 01 (which btw
> is the default). Similarly, if you want four PP ranks per node with
> two GPUs, you pass -gpu_id 0011.
> 
> Cheers,
> --
> Szilárd
> 
> 
> On Thu, Mar 20, 2014 at 12:49 AM, arrow50311
> <

> linxingcheng50311@

> > wrote:
>> Hi,
>>
>> Imagine I have two nodes, each mounted with 2 GPGPUs. If I want to
>> require
>> two nodes and suppose there are 4 PP ranks, is there a way to use 4
>> GPGPUs
>> simultaneously in Gromacs 4.6? It seems -gpu_id is not 0123 or 0101, but
>> something else.
>>
>> Thank you,
>>
>>
>> --
>> View this message in context:
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