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GTC ON-DEMAND

Molecular Dynamics
Presentation
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Short-Range Molecular Dynamics on GPU
Speakers:
Peng Wang
- NVIDIA
Abstract:
Learn how to accelerate short-range molecular dynamics using CUDA C. We will cover building the neighbor list and calculating the forces on the GPU. To handle the case where a few particles have significantly more neighbors than most other particles, we propose a hybrid data structure for the neighbor list that can achieve a good balance between performance and storage efficiency. A CUDA C implementation of the technique for Leonard-Jones forces can be found in the LAMMPS molecular dynamics open source code.
 
Topics:
Molecular Dynamics
Type:
Talk
Event:
GTC Silicon Valley
Year:
2010
Session ID:
2006
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