[mpich-discuss] a problem of using mpich2 with LAMMPS

Z.Y.Qiu luoyuan126 at gmail.com
Mon Sep 24 08:20:47 CDT 2012


I run LAMMPS in parallel job through the command "mpiexec -n ./lmp_serial<
in.**."
I chose the Makefile for serial.Maybe I should chose  other Makefiles for
proper platform.

2012/9/24 Reuti <reuti at staff.uni-marburg.de>

> Am 24.09.2012 um 07:47 schrieb Z.Y.Qiu:
>
> > Hi, everyone. I link mpich2-1.3.1 installed under my own directory on a
> Linux service to LAMMPS.
> > I run my LAMMPS task in parallel by a PBS script. In LAMMPS log file, "2
> by 2 by 2 MPI proces-
> > sor grid" is output which means it run in parallel. But the speed has no
> change, comparing to  that
> > in serial way.  Thank u for your time and appreciating any help.
>
> Did you follow the instructions on the LAMMPS website how to invoke a
> parallel job?
>
> -- Reuti
>
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