Re: [AMBER] how to run amber on mutli-gpu/muti-nodes

From: Haipeng Wei <haipeng.wei.gmail.com>
Date: Tue, 15 Mar 2011 17:04:52 -0700

Hi Ross,

Thanks a lot for your reply. Could you please give me further help on the
following questions? I read the website you told me, but I am still not
clear.

1. How should I write the command line if I have 1 node with 12 gpus?
mpirun -np 12? does it mean 12 nodes or 1 nodes with 12 gpus? do I need to
assign one by one or the test will detect all gpus
2, If I have multi-node, each node has 2 gpus or more, do I need to
recompile with IB? or how could I use IB?

Thanks

Haipeng


On Tue, Mar 15, 2011 at 3:13 PM, Ross Walker <ross.rosswalker.co.uk> wrote:

> Hi Haipeng,
>
> Please see the following webpage: http://ambermd.org/gpus/#Running
>
> All the best
> Ross
>
> > -----Original Message-----
> > From: Haipeng Wei [mailto:haipeng.wei.gmail.com]
> > Sent: Tuesday, March 15, 2011 3:09 PM
> > To: amber.ambermd.org
> > Subject: [AMBER] how to run amber on mutli-gpu/muti-nodes
> >
> > Hi,
> >
> > Could you please give me some help on how to run amber on
> > multi-gpu/multi-nodes?
> >
> > For example, what the command will be if I want to run on 4 nodes(each
> > node
> > has two GPUs).
> >
> > Thanks a lot
> > _______________________________________________
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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
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Received on Tue Mar 15 2011 - 17:30:02 PDT
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