howto:orca
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| Both sides previous revision Previous revision Next revision | Previous revision | ||
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howto:orca [2025/12/09 11:41] alopis |
howto:orca [2026/02/26 15:22] (current) alopis |
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| ====ORCA job submission==== | ====ORCA job submission==== | ||
| - | Execute **qorca_6.1.1** on login node and follow the prompts (we should also have qorca_4.2.0 | + | Execute **//qorca_6.1.0//** on login node and follow the prompts (we should also have **qorca_4.2.0** **qorca_5.0.1 |
| 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. | ||
| Examples of script execution are provided below. | Examples of script execution are provided below. | ||
| - | **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 (qorca_ with TAB key completion to see available orca scripts): | + | **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 (**//qorca_//** with TAB key completion to see available orca scripts): |
| module load chpc/ | module load chpc/ | ||
/app/dokuwiki/data/attic/howto/orca.1765273317.txt.gz · Last modified: 2025/12/09 11:41 by alopis
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