The tremendous successes that GPUs have had in accelerating molecular simulations must continue to be matched by advances in their application to challenging simu"> The tremendous successes that GPUs have had in accelerating molecular simulations must continue to be matched by advances in their application to challenging simu" /> The tremendous successes that GPUs have had in accelerating molecular simulations must continue to be matched by advances in their application to challenging simu"> Harnessing GPUs to Probe Biomolecular Machines at Atomic Detail | Supercomputing 2016
 

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GTC ON-DEMAND

HPC and Supercomputing
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Harnessing GPUs to Probe Biomolecular Machines at Atomic Detail
Abstract:

The tremendous successes that GPUs have had in accelerating molecular simulations must continue to be matched by advances in their application to challenging simulation preparation, analysis, and visualization tasks. We will describe how the latest developments in the molecular visualization tool VMD exploit GPUs using exciting new features of CUDA, OpenACC, EGL, and OptiX to accelerate key science tasks on clouds, clusters, and petascale computers. We will summarize our early experiences and performance results on GPU-accelerated OpenPOWER platforms with an eye toward the challenges and opportunities posed by the upcoming DOE Summit and Sierra systems.

 
Topics:
HPC and Supercomputing
Type:
Talk
Event:
Supercomputing
Year:
2016
Session ID:
SC6127
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