Automatic Generation of FFT for Translations of Multipole Expansions in Spherical Harmonics

Authors:
Jakub Kurzak;Dragan Mirkovic;B. Montgomery Pettitt;S. Lennart Johnsson
Affiliations:
Department Of Electrical Engineering and Computer Science,University of Tennessee, Knoxville, Tennessee 37996,;Department of Computer Science, University of Houston, Houston, Texas 77204;Department of Computer Science, University of Houston, Houston, Texas 77204, Department of Chemistry, University of Houston, Houston, Texas 77204;Department of Computer Science, University of Houston, Houston, Texas 77204
Venue:
International Journal of High Performance Computing Applications
Year:
2008

Citing 13
Cited 0

A fast algorithm for particle simulations

Journal of Computational Physics
Multiplicative complexity, convolution, and the DFT

Multiplicative complexity, convolution, and the DFT
Fast fourier transforms: a tutorial review and a state of the art

Signal Processing
Computational frameworks for the fast Fourier transform

Computational frameworks for the fast Fourier transform
Multipole algorithms for molecular dynamics simulation on high performance computers

Multipole algorithms for molecular dynamics simulation on high performance computers
Fast Fourier Transform Accelerated Fast Multipole Algorithm

SIAM Journal on Scientific Computing
A fast Fourier transform compiler

Proceedings of the ACM SIGPLAN 1999 conference on Programming language design and implementation
An Improved Fast Multipole Algorithm for Potential Fields

SIAM Journal on Scientific Computing
An adaptive software library for fast Fourier transforms

Proceedings of the 14th international conference on Supercomputing
The rapid evaluation of potential fields in particle systems

The rapid evaluation of potential fields in particle systems
Communications overlapping in fast multipole particle dynamics methods

Journal of Computational Physics
Automatic Performance Tuning for Fast Fourier Transforms

International Journal of High Performance Computing Applications
Massively parallel implementation of a fast multipole method for distributed memory machines

Journal of Parallel and Distributed Computing

Quantified Score

Hi-index	0.00

Visualization

Abstract

The fast multipole method (FMM) is an efficient algorithm for calculating electrostatic interactions in molecular simulations and a promising alternative to Ewald summation methods. Translation of multipole expansion in spherical harmonics is the most important operation of the fast multipole method and the fast Fourier transform (FFT) acceleration of this operation is among the fastest methods of improving its performance. The technique relies on highly optimized implementation of fast Fourier transform routines for the desired expansion sizes, which need to incorporate the knowledge of symmetries and zero elements in the input arrays. Here a method is presented for automatic generation of such, highly optimized, routines.