Pittsburgh Supercomputing Center 

Advancing the state-of-the-art in high-performance computing,
communications and data analytics.


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NWChem Examples

Download example files here

Files include:

  • nwchem.pbs, PBS script
  • s2.nw, input file
  • s2.out, NWChem output
  • nwchem.out, standard output and error log file


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