Title
Accelerating Molecular Dynamics Simulations with GPUs
Abstract
Molecular dynamics simulations are known to run for many days or weeks before completion. In this pa- per we explore the use of GPUs to accelerate a Lennard- Jones-based molecular dynamics simulation of up to 27000 atoms. We demonstrate speedups that exceed 100x on com- modity Nvidia GPUs and discuss the strategies that allow for such exceptional speedups. We show that traditional molecular dynamics simulations can be greatly improved from a runtime of over 1 day to 18 minutes.
Year
Venue
Keywords
2008
ISCA PDCCS
lennard jones
Field
DocType
Citations 
CUDA,Molecular simulation,Parallel computing,Computational science,Molecular dynamics
Conference
0
PageRank 
References 
Authors
0.34
11
5
Name
Order
Citations
PageRank
John Paul Walters126720.45
Vidyananth Balu2251.46
Vipin Chaudhary383883.24
David Kofke400.68
Andrew Schultz5575.78