HOOMD-blue is a general purpose particle dynamics package written from ground-up to take advantage of the revolutionary CUDA architecture in NVIDIA GPUs. It contains a number of different force fields and integrators and its object oriented design enables adding additional ones easily.

Download and Installation

• Binaries for HOOMD-blue
• Documentation (installation guide, quick start tutorials)

Benchmark Data

Detailed benchmarks are available on the HOOMD-blue page. One Tesla GPU running HOOMD-blue can outperform 32 CPU cores.

Data Courtesy of University of Michigan

Technical Papers

• Papers describing HOOMD-Blue
• More publications on accelerating molecular dynamics applications using GPUs
• More publications on accelerating quantum chemistry applications using GPUs

Interviews / Videos

• The Computational Science Behind Shampoo - Temple University

Case Studies

• NCSA, November 2009: The GPUs in NCSA's Lincoln cluster speed molecular dynamics simulations that drive the development of detergents and drug-delivery systems

Discussion Forums

• GPU computing communities on GPUcomputing.net

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