NWChem

Software Description:

NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters.

Software Home Page: NWChem

Software Documentation:

To run this software in a Linux environment on LCC,
run the command(s):

#To load module per version of your choice

module load 
ccs/nwchem/6.6
ccs/nwchem/6.8
ccs/nwchem/6.8.1

#To unload module per version 

module unload 
ccs/nwchem/6.6
ccs/nwchem/6.8
ccs/nwchem/6.8.1