AMBER Archive (2002)

Subject: Re: Problems with AMBER7 and Multiple Processors on SGI servers

From: Carlos Simmerling (carlos.simmerling_at_sunysb.edu)
Date: Fri Apr 26 2002 - 07:05:52 CDT

For parallel calculatinos you should compile with Machine.sgi_mpi.
Then you need to start your job with mpirun. Check the SGI man
page for mpirun to get more details.
Carlos
=====================================================
Carlos L. Simmerling, Ph.D.
Assistant Professor Phone: (631) 632-1336
Department of Chemistry Fax: (631) 632-1555
SUNY at Stony Brook Web:
<http://comp.chem.stonybrook.edu/carlos>
Stony Brook, NY 11794-3400 E-mail:
carlos.simmerling_at_stonybrook.edu
=====================================================

----- Original Message -----
From: "Vincent BOSQUIER" <vbosquier_at_nimes.syntem.com>
To: "AMBER List (E-mail)" <amber_at_heimdal.compchem.ucsf.edu>
Sent: Friday, April 26, 2002 4:39 AM
Subject: Problems with AMBER7 and Multiple Processors on SGI servers

> Hi,
>
> I have installed AMBER7 on a 4-processored SGI Origin200 server and I have
a big problem : the program only runs on 1 processor. The MACHINE file that
I linked to compile the software is src/Machines/Machine.sgi. As I
understood the manual, it was the right MACHINE file for my system.
>
> Can you tell me which files and environnment variables I should verify to
make it run normally on all the processors that are available on my server?
>
> Thanks in advance for your help.
>
> Vincent.
>
>
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