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?
Thanks.
Best,
Victor
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Received on Wed Aug 07 2013 - 10:00:05 PDT
