NVIDIA GPUs to Accelerate Gaussian Quantum Chemistry App

Today NVIDIA announced plans with Gaussian, Inc., and The Portland Group (PGI) to develop a future GPU-accelerated release of Gaussian, the world’s leading software application for quantum chemistry. The addition of support for NVIDIA Tesla GPUs and compilers from PGI in a future release of Gaussian software will provide researchers with a powerful, more efficient tool to help reduce the cost and time required for running complex, data-intensive calculations.

Calculations using Gaussian are limited primarily by the available computing resources,” said Dr. Michael Frisch, president of Gaussian, Inc. “By coordinating the development of hardware, compiler technology and application software among the three companies, the new application will bring the speed and cost-effectiveness of GPUs to the challenging problems and applications that Gaussian’s customers need to address.”

The GPU-accelerated version of Gaussian will be developed by a three-way collaboration among NVIDIA, Gaussian and PGI. Read the Full Story.