[gmx-users] query regarding replica exchange

Justin A. Lemkul jalemkul at vt.edu
Thu May 26 04:03:01 CEST 2011

Sanku M wrote:
> I was wondering if I try to run PBS script in a cluster, how can I get 
> to generate the hostfile as I do not know in advance which machines will 
> be allocated .

This is a question for your sysadmin.  Most such implementations ignore 
hostfiles for this very reason.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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