000141830 001__ 141830
000141830 005__ 20230217124352.0
000141830 0247_ $$2doi$$a10.1103/PhysRevE.88.063308
000141830 0247_ $$2WOS$$aWOS:000328697900008
000141830 0247_ $$2Handle$$a2128/5762
000141830 0247_ $$2altmetric$$aaltmetric:21822738
000141830 037__ $$aFZJ-2014-00170
000141830 082__ $$a530
000141830 1001_ $$0P:(DE-Juel1)132274$$aSutmann, Godehard$$b0$$eCorresponding author$$ufzj
000141830 245__ $$aComparison of scalable fast methods for long-range interactions
000141830 260__ $$aCollege Park, Md.$$bAPS$$c2013
000141830 264_1 $$2Crossref$$3online$$bAmerican Physical Society (APS)$$c2013-12-19
000141830 264_1 $$2Crossref$$3print$$bAmerican Physical Society (APS)$$c2013-12-01
000141830 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s141830
000141830 3367_ $$2DataCite$$aOutput Types/Journal article
000141830 3367_ $$00$$2EndNote$$aJournal Article
000141830 3367_ $$2BibTeX$$aARTICLE
000141830 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000141830 3367_ $$2DRIVER$$aarticle
000141830 520__ $$aBased on a parallel scalable library for Coulomb interactions in particle systems, a comparison between the fast multipole method (FMM), multigrid-based methods, fast Fourier transform (FFT)-based methods, and a Maxwell solver is provided for the case of three-dimensional periodic boundary conditions. These methods are directly compared with respect to complexity, scalability, performance, and accuracy. To ensure comparable conditions for all methods and to cover typical applications, we tested all methods on the same set of computers using identical benchmark systems. Our findings suggest that, depending on system size and desired accuracy, the FMM- and FFT-based methods are most efficient in performance and stability.
000141830 536__ $$0G:(DE-HGF)POF2-411$$a411 - Computational Science and Mathematical Methods (POF2-411)$$cPOF2-411$$fPOF II$$x0
000141830 536__ $$0G:(DE-Juel1)FMM-20140729$$aFMM - Fast Multipole Method (FMM-20140729)$$cFMM-20140729$$x1
000141830 542__ $$2Crossref$$i2013-12-19$$uhttp://link.aps.org/licenses/aps-default-license
000141830 7001_ $$0P:(DE-HGF)0$$aArnold, Axel$$b1
000141830 7001_ $$0P:(DE-HGF)0$$aFahrenberger, Florian$$b2
000141830 7001_ $$0P:(DE-HGF)0$$aHolm, Christian$$b3
000141830 7001_ $$0P:(DE-HGF)0$$aBolten, Matthias$$b4
000141830 7001_ $$0P:(DE-Juel1)132079$$aDachsel, Holger$$b5$$ufzj
000141830 7001_ $$0P:(DE-Juel1)132124$$aHalver, Rene$$b6$$ufzj
000141830 7001_ $$0P:(DE-Juel1)132152$$aKabadshow, Ivo$$b7$$ufzj
000141830 7001_ $$0P:(DE-HGF)0$$aGaehler, Franz$$b8
000141830 7001_ $$0P:(DE-HGF)0$$aHeber, Frederik$$b9
000141830 7001_ $$0P:(DE-HGF)0$$aIseringhausen, Julian$$b10
000141830 7001_ $$0P:(DE-HGF)0$$aHofmann, Michael$$b11
000141830 7001_ $$0P:(DE-HGF)0$$aPippig, Michael$$b12
000141830 7001_ $$0P:(DE-HGF)0$$aPotts, Daniel$$b13
000141830 77318 $$2Crossref$$3journal-article$$a10.1103/physreve.88.063308$$bAmerican Physical Society (APS)$$d2013-12-19$$n6$$p063308$$tPhysical Review E$$v88$$x1539-3755$$y2013
000141830 773__ $$0PERI:(DE-600)2844562-4$$a10.1103/PhysRevE.88.063308$$n6$$p063308$$tPhysical review / E$$v88$$x1539-3755$$y2013
000141830 8564_ $$yPublishers version according to licensing conditions.$$zPublished final document.
000141830 8564_ $$uhttps://juser.fz-juelich.de/record/141830/files/FZJ-2014-00170.pdf$$yOpenAccess$$zPublished final document.
000141830 8564_ $$uhttps://juser.fz-juelich.de/record/141830/files/FZJ-2014-00170.jpg?subformat=icon-144$$xicon-144$$yOpenAccess
000141830 8564_ $$uhttps://juser.fz-juelich.de/record/141830/files/FZJ-2014-00170.jpg?subformat=icon-180$$xicon-180$$yOpenAccess
000141830 8564_ $$uhttps://juser.fz-juelich.de/record/141830/files/FZJ-2014-00170.jpg?subformat=icon-640$$xicon-640$$yOpenAccess
000141830 909CO $$ooai:juser.fz-juelich.de:141830$$pdnbdelivery$$pVDB$$pdriver$$popen_access$$popenaire
000141830 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)132274$$aForschungszentrum Jülich GmbH$$b0$$kFZJ
000141830 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)132079$$aForschungszentrum Jülich GmbH$$b5$$kFZJ
000141830 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)132124$$aForschungszentrum Jülich GmbH$$b6$$kFZJ
000141830 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)132152$$aForschungszentrum Jülich GmbH$$b7$$kFZJ
000141830 9132_ $$0G:(DE-HGF)POF3-511$$1G:(DE-HGF)POF3-510$$2G:(DE-HGF)POF3-500$$aDE-HGF$$bKey Technologies$$lSupercomputing & Big Data $$vComputational Science and Mathematical Methods$$x0
000141830 9131_ $$0G:(DE-HGF)POF2-411$$1G:(DE-HGF)POF2-410$$2G:(DE-HGF)POF2-400$$3G:(DE-HGF)POF2$$4G:(DE-HGF)POF$$aDE-HGF$$bSchlüsseltechnologien$$lSupercomputing$$vComputational Science and Mathematical Methods$$x0
000141830 9141_ $$y2013
000141830 915__ $$0LIC:(DE-HGF)APS-112012$$2HGFVOC$$aAmerican Physical Society Transfer of Copyright Ag
000141830 915__ $$0StatID:(DE-HGF)0010$$2StatID$$aJCR/ISI refereed
000141830 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR
000141830 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index
000141830 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded
000141830 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection
000141830 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bThomson Reuters Master Journal List
000141830 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS
000141830 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline
000141830 915__ $$0StatID:(DE-HGF)0420$$2StatID$$aNationallizenz
000141830 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000141830 915__ $$0StatID:(DE-HGF)1020$$2StatID$$aDBCoverage$$bCurrent Contents - Social and Behavioral Sciences
000141830 9201_ $$0I:(DE-Juel1)JSC-20090406$$kJSC$$lJülich Supercomputing Center$$x0
000141830 980__ $$ajournal
000141830 980__ $$aUNRESTRICTED
000141830 980__ $$aJUWEL
000141830 980__ $$aFullTexts
000141830 980__ $$aI:(DE-Juel1)JSC-20090406
000141830 980__ $$aVDB
000141830 9801_ $$aFullTexts
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.477873
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/andp.19213690304
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1080/08927029408022180
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0378-4371(91)90226-3
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1080/08927029408021982
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.1931667
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1080/00268977800101701
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1080/08927029808024176
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1080/08927029908022096
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0010-4655(02)00586-6
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.2052647
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.61.6706
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0305-4470/33/35/309
000141830 999C5 $$1R. W. Hockney$$2Crossref$$9-- missing cx lookup --$$a10.1887/0852743920$$y1988
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.464397
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.470117
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.477414
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/ct2001792
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.477415
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/324446a0
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0021-9991(87)90140-9
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.1771634
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.88.196402
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0953-8984/16/38/017
000141830 999C5 $$1A. Arnold$$2Crossref$$oA. Arnold Advanced Computer Simulation Approaches for Soft Matter Sciences 2005$$tAdvanced Computer Simulation Approaches for Soft Matter Sciences$$y2005
000141830 999C5 $$1G. A. Cisneros$$2Crossref$$oG. A. Cisneros Biomolecular Simulations 2013$$tBiomolecular Simulations$$y2013
000141830 999C5 $$1D. Frenkel$$2Crossref$$9-- missing cx lookup --$$a10.1063/1.4822570$$y2002
000141830 999C5 $$1C. Sagui$$2Crossref$$oC. Sagui Simulation and Theory of Electrostatic Interactions in Solution 1999$$tSimulation and Theory of Electrostatic Interactions in Solution$$y1999
000141830 999C5 $$2Crossref$$oFast Methods for Long Range Interactions in Complex Systems 2009$$tFast Methods for Long Range Interactions in Complex Systems$$y2009
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0010-4655(96)00016-1
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/ct700301q
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1006/jcph.1995.1039
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/jcc.20289
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1080/08927029408022004
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0010-4655(96)00016-1
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0010-4655(96)00043-4
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0010-4655(95)00003-X
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1098/rspa.1980.0136
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1098/rspa.1981.0064
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1080/00268978300102721
000141830 999C5 $$1M. Griebel$$2Crossref$$oM. Griebel Numerical Simulation in Molecular Dynamics—Numerics, Algorithms, Parallelization, Applications 2007$$tNumerical Simulation in Molecular Dynamics—Numerics, Algorithms, Parallelization, Applications$$y2007
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/(SICI)1098-2426(199603)12:2<235::AID-NUM6>3.0.CO;2-R
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.cam.2005.03.041
000141830 999C5 $$1U. Trottenberg$$2Crossref$$oU. Trottenberg Multigrid 2000$$tMultigrid$$y2000
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1098/rspa.1980.0135
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1080/00268978800101471
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1137/120888478
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.2816570
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.3000389
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.3430521
000141830 999C5 $$1H. Q. Ding$$2Crossref$$oH. Q. Ding A Portable 3D FFT Package for Distributed-Memory Parallel Architectures 1995$$tA Portable 3D FFT Package for Distributed-Memory Parallel Architectures$$y1995
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1145/1555386.1555388
000141830 999C5 $$1D. Potts$$2Crossref$$oD. Potts Modern Sampling Theory: Mathematics and Applications 2001$$tModern Sampling Theory: Mathematics and Applications$$y2001
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1137/S1064827502400984
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1007/s00211-004-0538-5
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.cplett.2006.04.106
000141830 999C5 $$1M. Pippig$$2Crossref$$oM. Pippig Fast Methods for Long-Range Interactions in Complex Systems 2011$$tFast Methods for Long-Range Interactions in Complex Systems$$y2011
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1137/120885887
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1017/S0962492900002725
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.468354
000141830 999C5 $$1H. Dachsel$$2Crossref$$oH. Dachsel Proceedings of the 13th International Euro-Par Conference, 4641 LNCS 2007$$tProceedings of the 13th International Euro-Par Conference, 4641 LNCS$$y2007
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.472369
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.3358272
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.64.1955
000141830 999C5 $$1M. Bolten$$2Crossref$$oM. Bolten Multigrid Methods for Structured Grids and Their Application in Particle Simulation 2008$$tMultigrid Methods for Structured Grids and Their Application in Particle Simulation$$y2008
000141830 999C5 $$1E. Hairer$$2Crossref$$oE. Hairer Geometric Numerical Integration. Structure-Preserving Algorithms for Ordinary Differential Equations 2002$$tGeometric Numerical Integration. Structure-Preserving Algorithms for Ordinary Differential Equations$$y2002
000141830 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1142/S0129183197000990