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GTC ON-DEMAND

Life & Material Science
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Attacking HIV with Petascale Molecular Dynamics Simulations on Titan and Blue Waters
Abstract:
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.
 
Topics:
Life & Material Science, GPU Virtualization, HPC and Supercomputing
Type:
Talk
Event:
GTC Silicon Valley
Year:
2015
Session ID:
S5149
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