stampede2
Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revisionNext revision | Previous revision | ||
stampede2 [2017/12/21 19:43] – edit | stampede2 [2020/07/07 17:05] (current) – admin | ||
---|---|---|---|
Line 1: | Line 1: | ||
- | 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\\ |
+ | / | ||
+ | Note that you need the stampede2 directory.\\ | ||
+ | Also, you can type '' | ||
- | / | + | <code commend> |
- | + | cdw | |
- | Note that you need the stampede2 directory which was introduced during the Stampede-Stampede2 transition. | + | setfacl |
- | + | </ | |
- | Also, you can type '' | + | |
Line 13: | Line 15: | ||
In your namd directory, you need 5 more files to start production: | In your namd directory, you need 5 more files to start production: | ||
- | 1. '' | + | 1. '' |
+ | 2. '' | ||
+ | 3. '' | ||
+ | 4. '' | ||
+ | 5. '' | ||
- | 2. '' | + | Example files using the KNL nodes. Use 1 node per job!\\ |
- | 3. '' | + | {{ :prod.tar.gz |}} |
- | 4. '' | + | |
- | 5. '' | + | |
+ | 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 '' |
stampede2.1513903436.txt.gz · Last modified: 2017/12/21 19:43 by edit