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NWChem is actively developed by a consortium of developers and maintained by the EMSL located at the Pacific Northwest National Laboratory (PNNL) in Washington State.
Usage
| Version | module |
|---|---|
| 7.0.2 | nwchem/7.0.2 |
Required modules
- intel/20.0.3
- mvapich2/2.3.4 OR mpich/3.3.2
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Sample input and submission script is available at /share/Apps/examples/nwchem
Links
For more information visit https://nwchemgit.github.io/Home.html