stampede2
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The instructions here assume you know the basics of running NAMD and have done it on a cluster like DT already. The details specific to Stampede2 are presented here.
Your working directory should look similar to this
/work/04431/ewang125/stampede2
Note that you need the stampede2 directory which was introduced during the Stampede-Stampede2 transition.
Also, you can type cdw
to go to your work directory
Equilibrate your system on DT and get your restart files dyn.xsc, dyn.coor, dyn.vel
In your namd directory, you need 5 more files to start production: 1. dyn.csh 2. dyn.scr 3. dyn-1.inp 4. dyn-2.inp 5. last.seqno
stampede2.1513903332.txt.gz · Last modified: 2017/12/21 19:42 by edit