namd on lemieux

From: Stern, Julie (
Date: Fri Jan 07 2005 - 11:51:53 CST

   Has anyone successfully run NAMD on lemieux? I'm having a
prmtop reading error (for a prmtop file which is read successfully
on my local machines) and don't know if its a NAMD 2.4 vs 2.5
problem or that it can't find the file and is a scripting or
prun problem. Can you share a sample script file with the
prun call and do we have to generate the node list first? Thanks.


This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:40:27 CST