Launching namd with PBS

From: Scott Stagg (scott.stagg_at_biology.gatech.edu)
Date: Wed Sep 24 2003 - 19:12:14 CDT

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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?

Thanks,
Scott Stagg

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