Pittsburgh Supercomputing Center 

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

PSCBridges

Allocation requests now being accepted.     More information  

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