Installing NWChem in on 64-bit Linux Cluster (CentOS, OpenMPI, Infiniband)
Submitted by lev_lafayette on Fri, 12/20/2013 - 03:49NWChem is a suite of 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.
mkdir /usr/local/src/NWCHEM
cd /usr/local/src/NWCHEM
wget http://www.nwchem-sw.org/download.php?f=Nwchem-6.3.revision2-src.2013-10-17.tar.gz
tar xvf Nwchem-6.3.revision2-src.2013-10-17.tar.gz
