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Version | Module | Available on |
|---|---|---|
6.0.1 | chem/orca/6.0.1 | Noctua 1, Noctua 2 |
6.0.0 | chem/orca/6.0.0 | Noctua 1, Noctua 2 |
5.0.4 | chem/orca/5.0.4 | Noctua 1, Noctua 2 |
5.0.3 | chem/orca/5.0.3 | Noctua 1, Noctua 2 |
4.2.1 | chem/orca/4.2.1 | Noctua 1, Noctua 2 |
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Access is restricted. Please apply for access.
We recommend to use orca_single_node.sh (see here) for better performance of ORCA calculation on PC2 HPC systems.
basic usage
After loading any of the above ORCA modules you can submit computation by:
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