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
stampede2.1513903493.txt.gz · Last modified: 2017/12/21 19:44 by edit