[gmx-users] Multi-GPU calculation
pall.szilard at gmail.com
Thu Mar 20 03:07:23 CET 2014
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.
On Thu, Mar 20, 2014 at 12:49 AM, arrow50311
<linxingcheng50311 at gmail.com> wrote:
> 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: http://gromacs.5086.x6.nabble.com/Multi-GPU-calculation-tp5015274.html
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