On thing I don't understand is: why the testing failed, but I can run
job with command:
mpirun -np 20 pmemd.MPI -O -i mini.in -o mini.out -p com.prmtop -c
com.crd -ref com.crd -inf mini.info -r 1.crd
without any problems....
On 07/15/2015 07:32 PM, Jason Swails wrote:
> So -intelmpi already sets mpi, mpinab, ... etc. So I don't think both -mpi
> and -intelmpi is necessary (but I don't have Intel MPI, so I've never been
> able to test it).
>
> All the best,
> Jason
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jul 15 2015 - 11:00:03 PDT
