cc_staff
415
edits
CPMD: Difference between revisions
→Example of job script
| Line 77: | Line 77: | ||
If the input file and the pseudo-potentials are in the same directory, the command to run the program in parallel is: | If the input file and the pseudo-potentials are in the same directory, the command to run the program in parallel is: | ||
<code>srun cpmd.x <input files> > <output file></code> | <code>srun cpmd.x <input files> > <output file></code> (as in the script 1) | ||
It is also possible to put the pseudo potential on another directory and run the code as follow: | It is also possible to put the pseudo potential on another directory and run the code as follow: | ||
<code>srun cpmd.x <input files> <path to pseudo potentials location> > <output file></code> | <code>srun cpmd.x <input files> <path to pseudo potentials location> > <output file></code> (as in the script 2) | ||
<tabs> | <tabs> | ||
<tab name="INPUT"> | <tab name="INPUT"> | ||
{{File | {{File | ||