AMBER Archive (2007)

Subject: Re: AMBER: Running mpirun -np 1 on different processors

From: Adrian Roitberg (roitberg_at_qtp.ufl.edu)
Date: Tue Sep 04 2007 - 08:45:11 CDT

See the manual under multisander.

Francesco Pietra wrote:
> I am running qmmm in vacuum on a single residue. Instead of launching seril
> sander, I just did
>
> mpirun -np 1 $AMBERHOME/exe/sander.MPI .....
>
> I would like to run several other similar processes. Is it possible on
> different processors, i.e., each run on a different processor going on
> simultaneously? I was unable to find the solution of the archive.
>
> Thanks
>
> francesco pietra
>
>
>
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-- 
                            Dr. Adrian E. Roitberg
                              Associate Professor
               Quantum Theory Project and Department of Chemistry

University of Florida                         PHONE 352 392-6972
P.O. Box 118435                               FAX   352 392-8722
Gainesville, FL 32611-8435                    Email adrian_at_qtp.ufl.edu
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