Changes between Version 1 and Version 2 of Run
- Timestamp:
- 10/07/09 22:17:19 (7 weeks ago)
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Run
v1 v2 18 18 {{{ 19 19 [user@host ~]$ run -n 16 -t 10:00:00 vasp/4.6.34 20 le 21 20 Your job 30709 ("vasp/4.6.34-user-9408cf7") has been submitted 21 [user@host ~]$ 22 22 }}} 23 23 24 24 This will automatically submit a VASP job to the queue in batch mode, using your current directory as its search path for its INCAR file. The anticipated runtime of 10 hours is reported with the -t directive. That we require 16 processors is expressed with the -n directive. Knowledge of what MPI library VASP was compiled with, what options should be passed to OpenMPI for optimal execution, and other details are taken care of behind the scenes. 25 26 * More information coming soon!!!