AMBER Archive (2002)

Subject: Re: sander parallel

From: Joffre Heredia (joffre_at_yogi.uab.es)
Date: Thu Jun 13 2002 - 12:39:55 CDT

 The file PI#### is a temporal file that mpich creates in order to
store process information. You should check your mpich configuration, as
you have probably wrong parameters. I'd suggest you to verify if the
machines.LINUX file is following the correct format.

 Good luck!

-------------------------------------------------------------
Joffre Heredia Rodrigo Tel: (34)-93-5813812
Laboratory of Computational Medicine Fax: (34)-93-5812344
Biostatistic Dept.
UAB School of Medicine. Bellaterra Joffre.Heredia_at_uab.es
08193-Barcelona (SPAIN)
-------------------------------------------------------------

On Wed, 12 Jun 2002, eric hu wrote:

> Hi, I sucessfully complied mpi and amber on a linux
> cluster. The tstmachines runs fine too (lists four
> processors). However when I try to run mpirun -np 4
> sander [options], it produces a file PI576 which has
> the following lines:
>
> ###.##.##.###1 (host name1) 0 /home/user/** (running
> file)
> ###.##.##.###2 (host name2) 1 /home/user/** (running
> file)
> ###.##.##.###1 (host name1) 1 /home/user/** (running
> file)
> ###.##.##.###2 (host name2) 1 /home/user/** (running
> file)
>
> The job is only running on one processor.
>