Building the GAMESS with Intel® Compilers, Intel® MKL and OpenMPI on Linux

For more information, see Building the GAMESS with Intel® Compilers, Intel® MKL and OpenMPI on Linux

Building the GAMESS with Intel® Compilers, Intel® MKL and Intel® MPI

A good article on Building the GAMESS with Intel® Compilers, Intel® MKL and Intel® MPI by Intel

GAMESS

GAMESS is a program for ab initio molecular quantum chemistry. Briefly, GAMESS can compute SCF wavefunctions ranging from RHF, ROHF, UHF, GVB, and MCSCF. Correlation corrections to these SCF wavefunctions include Configuration Interaction, second order perturbation Theory, and Coupled-Cluster approaches, as well as the Density Functional Theory approximation.

Important Information

1. Jan Jensen's blog on GAMESS usage (especially on desktop platform):
2. Google Groups discussion forum exists for GAMESS users