Launching namd with PBS

From: Scott Stagg (
Date: Wed Sep 24 2003 - 19:12:14 CDT

Hi all,
   I have been using namd successfully on my local Linux cluster for
several months, but now we are looking to implement a batch queue
system. We are trying to use PBS but I am having problems with the
nodelist file. Basically charmrun overrides PBS in choosing the nodes
namd runs on. The point a batch queue though is so users don't have to
choose the nodes on which they run. Has anyone run into this problem?
Any suggestions on what I should do?

Scott Stagg

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:37:03 CST