Re: [AMBER] Question about sander running parallel

From: Charo del Genio <>
Date: Fri, 31 May 2019 20:19:27 +0100

On 31/05/2019 18:31, David A Case wrote:
> On Fri, May 31, 2019, Sadaf Rani wrote:
>> mpirun -np8 sander -O -i -p 2bh9.prmtop -c 2bh9_eq_v.rst -r
> Try adding a space between the "-np" and the "8".
> ...dac

Also, isn't the MPI executable usually called sander.MPI?



Dr. Charo I. del Genio
Senior Lecturer in Statistical Physics
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Received on Fri May 31 2019 - 12:30:03 PDT
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