“A site license for GAMESS is available at no cost to both academic and industrial users. You will be asked to agree to this license during the process of downloading GAMESS. The license acknowledges the Gordon group’s exclusive distribution rights to GAMESS, and also prohibits you from making copies of the GAMESS code for any purpose except use at your own institution. Please note the distinction between “a site license at no cost” and terms such as “public domain” or “freeware” or “open source”.”
Free if you agree with the license
Binaries for Mac, Linux, Windows.
Need to compile on Unix/Linux.
Hiromi Nakai (Schools of Advanced Science and Engineering, Waseda University),
Nano and biological systems
|Physical quantities that can be computed||
Energy, electron density, spin density, energy density, and optical properties (polarizability; hyperpolarizability)
HF using divide and conquer (DC) method, MP2, CC, and density functional theory calculation
Parallel computing by MPI is supported (an interface DDI provided by GAMESS developers is used as a rapper). A latest version (not released) supports OpenMP parallel computing.