Re: [AMBER] test failed but still work

From: Albert <>
Date: Wed, 15 Jul 2015 19:53:17 +0200

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 -o mini.out -p com.prmtop -c
com.crd -ref com.crd -inf -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

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Received on Wed Jul 15 2015 - 11:00:03 PDT
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