User Tools

Site Tools


howto:cp2k

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revision Previous revision
Next revision
Previous revision
howto:cp2k [2016/03/30 11:55]
kgovender
howto:cp2k [2017/01/30 08:58]
kgovender
Line 1: Line 1:
 ====CP2K job submission==== ====CP2K job submission====
-Execute **qcp2k_2.6.2** on login node and follow the prompts.+Execute **qcp2k_2.6.2** or **qcp2k_3.0** on login node and follow the prompts.
 This script handles PBS setup and submission. This script handles PBS setup and submission.
 Sets up the mpi environment variables allowing you to run over multiple processors and nodes. Sets up the mpi environment variables allowing you to run over multiple processors and nodes.
Line 21: Line 21:
   ​   ​
   ​   ​
 +
     EXAMPLE2 [PLEASE TAKE NOTE OF EMPTY SPACES]     EXAMPLE2 [PLEASE TAKE NOTE OF EMPTY SPACES]
   Enter project name/​shortname   Enter project name/​shortname
/var/www/wiki/data/pages/howto/cp2k.txt · Last modified: 2017/01/30 08:58 by kgovender