Hello,
On Wed, Apr 25, 2012 at 1:34 AM, Vijay Manickam Achari <vjrajamany.yahoo.com
> wrote:
> Thank you for the kind reply.
> I have tried to figure out based on your info and other sources as well to
> get the two GPUs work.
>
> For the machinefile:
> I checked /dev folder and I saw list of NVIDIA card names as :- nvidia0,
> nvidia1, nvidia2, nvidia3, nvidia4. I understand these names should be
> listed in the mahcinefile. I comment out nvidia0, nvidia1, nvidia2 since I
> only wanted to use two GPUs.
>
The names in the hostfile (or machinefile) are the host name (you can get
this via "hostname"). However, machinefiles are really only necessary if
you plan on going off-node. What it tells the MPI is *where* on the
network each thread should be launched.
If you want to run everything locally on the same machine, every MPI
implementation that I've ever used allows you to just say:
mpirun -np 2 pmemd.cuda.MPI -O -i mdin ...etc.
If you need to use the hostfile or machinefile, look at the mpirun manpage
to see how your particular MPI reads them.
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Apr 25 2012 - 09:30:10 PDT
