On Wed, Aug 7, 2013 at 12:59 PM, Victor Ma <victordsmagift.gmail.com> wrote:
> hello all
>
> I have amber12 and openmpi installed and configured on a 4GPU machine. I'd
> like to run multi-GPU amber simulation. Here is the command I used:
> mpirun --machinefile=nodefile -np 2 pmemd.cuda.MPI -O -i em1.in -o em1.out
> -c complex_wat.inpcrd -p complex_wat.prm -r em1.rst -ref complex_wat.inpcrd
> &
>
> And the error messageI got is,
> application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
>
> Does that mean my openmpi is not properly configured?
>
No, this error message simply means that an error was detected on the first
thread. There should have been a real error message (look in the output
file). This error message has limited utility (and is useless without the
context of the actual error message).
Does this work in serial? My guess is that it will not. (But if it does,
why not just run in serial? Parallel scalability is limited currently).
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Aug 07 2013 - 12:00:03 PDT
