loading...
 This Article 
   
 Share 
   
 Bibliographic References 
   
 Add to: 
 
Digg
Furl
Spurl
Blink
Simpy
Google
Del.icio.us
Y!MyWeb
 
 Search 
   
18th International Parallel and Distributed Processing Symposium (IPDPS'04) - Workshop 13
Parallel Implementation of the Treecode Ewald Method
Santa Fe, New Mexico
April 26-April 30
ISBN: 0-7695-2132-0
Dongqing Liu, University of Akron
Zhong-Hui Duan, University of Akron
Robert Krasny, University of Michigan
Jianping Zhu, University of Akron
In this paper, we discuss an efficient parallel implementation of the treecode Ewald method for fast evaluation of long-range Coulomb interactions in a periodic system for molecular dynamics simulations. The parallelization is based on an adaptive decomposition scheme using the Morton order of the particles. This decomposition scheme takes advantage of the data locality and involves minimum changes to the original sequential code. The Message Passing Interface (MPI) is used for inter-processor communications, making the code portable to a variety of parallel computing platforms. We also discuss communication and performance models for our parallel algorithm. The predicted communication time and parallel performance from these models match the measured results well. Timing results obtained using a system of water molecules on the IA32 Cluster at the Ohio Supercomputer Center demonstrate high speedup and efficiency of the parallel treecode Ewald method.
Citation:
Dongqing Liu, Zhong-Hui Duan, Robert Krasny, Jianping Zhu, "Parallel Implementation of the Treecode Ewald Method," ipdps, vol. 14, pp.236a, 18th International Parallel and Distributed Processing Symposium (IPDPS'04) - Workshop 13, 2004
Usage of this product signifies your acceptance of the Terms of Use.