Comparison of scalable fast methods for long-range interactions

Arnold A, Fahrenberger F, Holm C, Lenz O, Bolten M, Dachsel H, Halver R, Kabadshow I, Gähler F, Heber F, Iseringhausen J, et al. (2013)
Physical Review E 88(6).

Download
Es wurde kein Volltext hochgeladen. Nur Publikationsnachweis!
Zeitschriftenaufsatz | Veröffentlicht | Englisch
Autor
; ; ; ; ; ; ; ; ; ; ;
Alle
Abstract / Bemerkung
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.
Erscheinungsjahr
Zeitschriftentitel
Physical Review E
Band
88
Zeitschriftennummer
6
ISSN
PUB-ID

Zitieren

Arnold A, Fahrenberger F, Holm C, et al. Comparison of scalable fast methods for long-range interactions. Physical Review E. 2013;88(6).
Arnold, A., Fahrenberger, F., Holm, C., Lenz, O., Bolten, M., Dachsel, H., Halver, R., et al. (2013). Comparison of scalable fast methods for long-range interactions. Physical Review E, 88(6). doi:10.1103/PhysRevE.88.063308
Arnold, A., Fahrenberger, F., Holm, C., Lenz, O., Bolten, M., Dachsel, H., Halver, R., Kabadshow, I., Gähler, F., Heber, F., et al. (2013). Comparison of scalable fast methods for long-range interactions. Physical Review E 88.
Arnold, A., et al., 2013. Comparison of scalable fast methods for long-range interactions. Physical Review E, 88(6).
A. Arnold, et al., “Comparison of scalable fast methods for long-range interactions”, Physical Review E, vol. 88, 2013.
Arnold, A., Fahrenberger, F., Holm, C., Lenz, O., Bolten, M., Dachsel, H., Halver, R., Kabadshow, I., Gähler, F., Heber, F., Iseringhausen, J., Hofmann, M., Pippig, M., Potts, D., Sutmann, G.: Comparison of scalable fast methods for long-range interactions. Physical Review E. 88, (2013).
Arnold, Axel, Fahrenberger, Florian, Holm, Christian, Lenz, Olaf, Bolten, Matthias, Dachsel, Holger, Halver, Rene, Kabadshow, Ivo, Gähler, Franz, Heber, Frederik, Iseringhausen, Julian, Hofmann, Michael, Pippig, Michael, Potts, Daniel, and Sutmann, Godehard. “Comparison of scalable fast methods for long-range interactions”. Physical Review E 88.6 (2013).

7 Zitationen in Europe PMC

Daten bereitgestellt von Europe PubMed Central.

Improved local lattice Monte Carlo simulation for charged systems.
Jiang J, Wang ZG., J Chem Phys 148(11), 2018
PMID: 29566515
The effect of electrostatic boundaries in molecular simulations: symmetry matters.
Pan C, Yi S, Hu Z., Phys Chem Chem Phys 19(6), 2017
PMID: 28134360
The effect of finite pore length on ion structure and charging.
Breitsprecher K, Abele M, Kondrat S, Holm C., J Chem Phys 147(10), 2017
PMID: 28915735
The fast multipole method and point dipole moment polarizable force fields.
Coles JP, Masella M., J Chem Phys 142(2), 2015
PMID: 25591340

Export

Markieren/ Markierung löschen
Markierte Publikationen

Open Data PUB

Web of Science

Dieser Datensatz im Web of Science®

Quellen

PMID: 24483585
PubMed | Europe PMC

Suchen in

Google Scholar