Comparison of scalable fast methods for long-range interactions.
Based on a parallel scalable library for Coulomb interactions in particle systems, a comparison between the fast multipole method (FMM), multigrid-based methods, fast Fourier transform (FFT)-based methods, and a Maxwell solver is provided for the case of three-dimensional periodic boundary conditions. These methods are directly compared with respect to complexity, scalability, performance, and accuracy. To ensure comparable conditions for all methods and to cover typical applications, we tested all methods on the same set of computers using identical benchmark systems. Our findings suggest that, depending on system size and desired accuracy, the FMM- and FFT-based methods are most efficient in performance and stability.
Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany.
Axel
A
Arnold
Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany.
Florian
F
Fahrenberger
Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany.
Christian
C
Holm
Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany.
Olaf
O
Lenz
Department of Mathematics and Science, University of Wuppertal, Wuppertal, Germany.
Matthias
M
Bolten
Institute for Advanced Simulation, Jülich Supercomputing Centre, Forschungszentrum Jülich GmbH, Jülich, Germany.
Holger
H
Dachsel
Institute for Advanced Simulation, Jülich Supercomputing Centre, Forschungszentrum Jülich GmbH, Jülich, Germany.
Rene
R
Halver
Institute for Advanced Simulation, Jülich Supercomputing Centre, Forschungszentrum Jülich GmbH, Jülich, Germany.
Ivo
I
Kabadshow
Faculty of Mathematics, Bielefeld University, Bielefeld, Germany.
Franz
F
Gähler
Institute for Numerical Simulation, University of Bonn, Bonn, Germany.
Frederik
F
Heber
Institute for Numerical Simulation, University of Bonn, Bonn, Germany.
Julian
J
Iseringhausen
Department of Computer Science, Chemnitz University of Technology, Chemnitz, Germany.
Michael
M
Hofmann
Department of Mathematics, Chemnitz University of Technology, Chemnitz, Germany.
Michael
M
Pippig
Department of Mathematics, Chemnitz University of Technology, Chemnitz, Germany.
Daniel
D
Potts
Institute for Advanced Simulation, Jülich Supercomputing Centre, Forschungszentrum Jülich GmbH, Jülich, Germany and ICAMS, Ruhr-University, Bochum, Germany.
Godehard
G
Sutmann