On Wed, Aug 07, 2013, Victor Ma wrote:
>
> 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?
Could be anything. First, run the test suite to see if you have a generic
problem (e.g. with openmpi configuration).
Second, look at the output files, especially em1.out. Most likely, there is
an error message there. The MPI_Abort message just informs you that the
process failed. You have to look at the acutal outputs to find out why.
...dac
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Received on Wed Aug 07 2013 - 12:00:05 PDT
