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stampede2

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stampede2 [2017/12/21 19:44] – editstampede2 [2020/07/07 17:05] (current) – admin
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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. +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. Stampede2 has 1T of space for each user, so clear out your data once in a while.
  
 Your working directory should look similar to this\\ Your working directory should look similar to this\\
 /work/04431/ewang125/stampede2\\ /work/04431/ewang125/stampede2\\
-Note that you need the stampede2 directory which was introduced during the Stampede-Stampede2 transition.\\ +Note that you need the stampede2 directory.\\ 
-Also, you can type ''cdw''  to go to your work directory+Also, you can type ''cdw''  to go to your work directory. To setup your directory for group readability please do the following: 
 + 
 +<code commend> 
 +cdw 
 +setfacl -d -m u:jklauda:rw . 
 +</code>
  
  
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 5. ''last.seqno'' 5. ''last.seqno''
  
 +Example files using the KNL nodes. Use 1 node per job!\\
 +{{ :prod.tar.gz |}}
 +
 +Only dyn.csh changes if you're using the SKX nodes. For 30k atoms, 2 nodes is optimal. For 70k atoms, 3 nodes is ok but 4 is not ok. 4 tasks per node is recommended\\
 +{{ :dyn.csh.gz |}}
  
 +An important note: in ''dyn.scr'', you need to cd directly to the working directory. If you have a lot of jobs, you may find it tedious to change every file.
stampede2.1513903464.txt.gz · Last modified: 2017/12/21 19:44 by edit