NAMD on PSC

From: Gan, Yong \(UMC-Student\) (yg8p2_at_mizzou.edu)
Date: Sun Aug 28 2005 - 12:26:30 CDT

Hello,

I am running NAMD on lemieux cluster with walltime of 10:00:00 and 4 cpus. After the simulation is done, there is no energy and pressure output in the log file at all. The system contains 11000 atoms.
Since the energy is output every step during minimization, I guess that something is wrong. If you have used the lemieux before, could you figure out this problem for me?

P.S. The script file I used is changed based on the example script file on www.psc.edu.

Thanks a lot!

Yong

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