Parallel implementation of 3D FMA using MPI

Author

Lu, Eric Jui-Lin ; Okunbor, D.I.

Author_Institution

Dept. of Comput. Sci., Missouri Univ., Rolla, MO

fYear

1996

fDate

1-2 Jul 1996

Firstpage

119

Lastpage

124

Abstract

The simulation of N-body systems has been used extensively in biophysics and chemistry to investigate the dynamics of biomolecules, and in astrophysics to study the chaotic characteristics of the galactic system. However, the long-range force calculation has a time complexity of O(N²), where N is the number of particles in the system. The fast multipole algorithm (FMA), proposed by Greengard and Rokhlin (1987), reduces the time complexity to O(N). Our goal is to build a parallel FMA library which is portable, scalable and efficient. We use the Message Passing Interface (MPI) as the communication back-end. Also, an effective communication scheme to reduce the communication overhead and a partitioning technique to obtain good load balancing among the processors were implemented into the library

Keywords

N-body problems; application program interfaces; astronomy computing; biology computing; chaos; chemistry computing; computational complexity; digital simulation; message passing; parallel algorithms; physics computing; resource allocation; 3D fast multipole algorithm; MPI; Message Passing Interface; N-body systems simulation; astrophysics; biochemistry; biomolecular dynamics; biophysics; chaotic characteristics; communication back-end; communication overhead; galactic system; load balancing; long-range force calculation; parallel implementation; partitioning technique; portable scalable parallel library; time complexity; Astrochemistry; Astrophysics; Chaotic communication; Clustering algorithms; Computer science; Libraries; Message passing; Molecular biophysics; Partitioning algorithms; Uniform resource locators;

fLanguage

English

Publisher

ieee

Conference_Titel

MPI Developer's Conference, 1996. Proceedings., Second

Conference_Location

Notre Dame, IN

Print_ISBN

0-8186-7533-0

Type

conf

DOI

10.1109/MPIDC.1996.534102

Filename

534102