In this video, 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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