Installing NWChem with OpenMPI, Intel Compilers and MKL and CentOS 5.4

With much credit to Vallard Land's Blog on Compiling NWChem and information on NwChem Build Notes from CSE Wiki. I was able to install NwChem on my GE-interconnect cluster with minimal modification.

For more information, see  Installing NWChem with OpenMPI, Intel Compilers and MKL and CentOS 5.x on my Linux Cluster Blog

NWChem

NWChem is a computational chemistry package that is designed to run on high-performance parallel supercomputers as well as conventional workstation clusters. It aims to be scalable both in its ability to treat large problems efficiently and in its usage of available parallel computing resources. NWChem has been developed by the Molecular Sciences Software group at the Department of Energy's EMSL. Most of the implementation has been funded by the EMSL Construction Project.