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HOOMD

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

The Tesla Bio Workbench applications can be deployed on GPU-based desktop personal supercomputers or in data center solutions. Built on the revolutionary massively parallel CUDA architecture, these solutions are designed to accelerate the pace of computational science.

RECOMMENDED HARDWARE CONFIGURATION

Desktop Workstation Configuration	Data Center Configuration
GPUs 4 Tesla C1060 Computing GPUs CPU and Main Memory 2.33 GHz x86 CPU >16 GB (4 GB main memory per Tesla C1060 GPU)	Not applicable (HOOMD is not yet MPI enabled)

WORKSTATION SOLUTIONS TESLA PERSONAL SUPERCOMPUTER For personal supercomputing at your desk Learn more >		DATA CENTER SOLUTIONS TESLA GPU COMPUTING CLUSTERS For computing with large-scale installations Learn more >