NAMD on TACC (Darter)

From: Chitrak Gupta (chgupta_at_mix.wvu.edu)
Date: Tue Dec 08 2015 - 18:16:29 CST

Dear NAMD developers,

I am trying to run NAMD on TACC (Darter). I am looking at the runbatch
script located at

/nics/b/home/jphillip/NAMD_scripts/runbatch_2.8

on Darter. I got this location from the following page

http://www.ks.uiuc.edu/Research/namd/wiki/index.cgi?NamdAtNICS

Could you verify whether this is updated for the current build on Darter? I
am asking because looks like this one is trying to run on 32 nodes although
Darter only has 16.

Also, what is the difference between $PPN and $PROCSPERNODE variables in
this code?

Best regards,
Chitrak.

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