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 High-performance Computational Chemistry
group of the Environmental Molecular Sciences Laboratory (EMSL) at the
Pacific Northwest National Laboratory (PNNL). Most of the implementation
has been funded by the EMSL Construction Project.
The suite utilizes parallel-programming tools developed by PNNL staff.
Most of the tool and scalable algorithm development has been funded by
the High Performance Computing and Communications Initiative (HPCCI) grand-challenge
software program and the DOE-2000 ACTS
Tools project.
Tools used in NWChem include
NEWS..OVERVIEW
..Getting
Started..Software..Benchmarks..Personal
