AMBER Archive (2007)

Subject: AMBER: how to include mpirun in this script

From: Syed Tarique Moin (tarisyed_at_yahoo.com)
Date: Tue Aug 21 2007 - 05:50:12 CDT

Hello,

I am attaching you a script that i download but i want
to run it on cluster to run simulation. Should i
include " mpirun -np no.of processors " before the
command line in this script, if you suggest "yes" then
plz suggest me where should i add or kindly assist me
to use this script on cluster system.

Regards

Syed Tarique Moin,
Junior Research Fellow,
H.E.J. Research Institute of Chemistry,
International Center for Chemical and Biological Sciences,
University of Karachi, Karachi-75720, Pakistan

tarisyed_at_yahoo.com
tarisyed_at_hotmail.com

       
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