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howto:orca [2025/12/09 11:43] 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. | ||