Re: [AMBER] Question about sander running parallel

From: Charo del Genio <the.paraw.gmail.com>
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 prod.in -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?


Cheers,

Charo 




-- 
Dr. Charo I. del Genio
Senior Lecturer in Statistical Physics
Applied Mathematics Research Centre (AMRC)
Design Hub
Coventry University Technology Park
Coventry CV1 5FB
UK
https://charodelgenio.weebly.com
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri May 31 2019 - 12:30:03 PDT
Custom Search