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GTC ON-DEMAND

Molecular Dynamics
Presentation
Media
High Performance Molecular Simulation, Visualization, and Analysis on GPUs
Speakers:
John Stone
- University of Illinois at Urbana-Champaign
Abstract:
This talk will present recent successes in the use of GPUs to accelerate interactive visualization and analysis tasks on desktop computers, and batch-mode simulation and analysis jobs on GPU-accelerated HPC clusters. We''ll present Fermi-specific algorithms and optimizations and compare with those for other devices. We''ll also present performance and performance/watt results for NAMD molecular dynamics simulations and VMD analysis calculations on GPU clusters, and conclude with a discussion of ongoing work and future opportunities for GPU acceleration, particularly as applied to the analysis of petascale simulations of large biomolecular complexes and long simulation timescales.
 
Topics:
Molecular Dynamics, Developer - Algorithms, HPC and AI, Life & Material Science
Type:
Talk
Event:
GTC Silicon Valley
Year:
2010
Session ID:
S102073
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