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Attacking HIV with Titan and Blue Waters

James Phillips, University of Illinois at Urbana-Champaign

James Phillips, University of Illinois at Urbana-Champaign

In this video from the GPU Technology Conference, James Phillips Senior Research Programmer from the University of Illinois at Urbana-Champaign presents: Attacking HIV with Petascale Molecular Dynamics Simulations on Titan and Blue Waters.

The highly parallel molecular dynamics code NAMD was was one of the first codes to run on a GPU cluster when G80 and CUDA were introduced in 2007, and is now used to perform petascale biomolecular simulations, including a 64-million-atom model of the HIV virus capsid, on the GPU-accelerated Cray XK7 Blue Waters and ORNL Titan machines. Come learn the opportunities and pitfalls of taking GPU computing to the petascale, the importance of CUDA 6.5 and Kepler/Maxwell features in combining multicore host processors and GPUs in a legacy message-driven application, and the promise of remote graphics for improving productivity and accessibility in petascale biology.”

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