CPMD: Difference between revisions

26 bytes removed ,  10 months ago
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You can use it now as usual in your submission script.
You can use it now as usual in your submission script.


=Example of job script = <!--T:19-->
=Example of a job script = <!--T:19-->


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It is also possible to put the pseudo-potentials in another directory and run the code as follows:
It is also possible to put the pseudo-potentials in another directory with


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<code>srun cpmd.x <input files> <path to pseudo potentials location> > <output file></code> (as in the script 2)
<code>srun cpmd.x <input files> <path to pseudo potentials location> > <output file></code> (as in script 2)


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