howto:nwchem
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howto:nwchem [2016/05/11 13:03] kgovender created |
howto:nwchem [2024/08/12 17:11] (current) alopis |
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| 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. | ||
| Examples of script execution are provided below. | Examples of script execution are provided below. | ||
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| + | **Note**, please first include this **module load** - even better if your add this line to your .bashrc, then the Easy Scripts should be visible and available: | ||
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| + | module load chpc/ | ||
| EXAMPLE1 | EXAMPLE1 | ||
/app/dokuwiki/data/attic/howto/nwchem.1462964613.txt.gz · Last modified: 2021/12/09 16:42 (external edit)
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