000820847 001__ 820847 000820847 005__ 20210129224623.0 000820847 020__ $$a978-3-319-40526-1 (print) 000820847 020__ $$a978-3-319-40528-5 (electronic) 000820847 0247_ $$2doi$$a10.1007/978-3-319-40528-5_22 000820847 0247_ $$2WOS$$aWOS:000411331500022 000820847 037__ $$aFZJ-2016-06114 000820847 041__ $$aEnglish 000820847 1001_ $$0P:(DE-HGF)0$$aGarcia Garcia, Alberto$$b0 000820847 1112_ $$aSPPEXA Symposium 2016$$cMünchen$$d2016-01-25 - 2016-01-27$$wGermany 000820847 245__ $$aAccelerating an FMM-Based Coulomb Solver with GPUs 000820847 260__ $$aCham$$bSpringer International Publishing$$c2016 000820847 29510 $$aSoftware for Exascale Computing - SPPEXA 2013-2015 / Bungartz, Hans-Joachim (Editor) ; Cham : Springer International Publishing, 2016, Chapter 22 ; ISSN: 1439-7358=2197-7100 ; ISBN: 978-3-319-40526-1=978-3-319-40528-5 000820847 300__ $$a485 - 504 000820847 3367_ $$2ORCID$$aCONFERENCE_PAPER 000820847 3367_ $$033$$2EndNote$$aConference Paper 000820847 3367_ $$2BibTeX$$aINPROCEEDINGS 000820847 3367_ $$2DRIVER$$aconferenceObject 000820847 3367_ $$2DataCite$$aOutput Types/Conference Paper 000820847 3367_ $$0PUB:(DE-HGF)8$$2PUB:(DE-HGF)$$aContribution to a conference proceedings$$bcontrib$$mcontrib$$s1479191606_793 000820847 3367_ $$0PUB:(DE-HGF)7$$2PUB:(DE-HGF)$$aContribution to a book$$mcontb 000820847 4900_ $$aLecture Notes in Computational Science and Engineering$$v113 000820847 520__ $$aThe simulation of long-range electrostatic interactions in huge particle ensembles is a vital issue in current scientific research. The Fast Multipole Method (FMM) is able to compute those Coulomb interactions with extraordinary speed and controlled precision. A key part of this method are its shifting operators, which usually exhibit O(p^4) complexity. Some special rotation-based operators with O(p^3) complexity can be used instead. However, they are still computationally expensive. Here we report on the parallelization of those operators that have been implemented for a GPU cluster to speed up the FMM calculations. 000820847 536__ $$0G:(DE-HGF)POF3-511$$a511 - Computational Science and Mathematical Methods (POF3-511)$$cPOF3-511$$fPOF III$$x0 000820847 536__ $$0G:(GEPRIS)230673686$$aGromEx - Highly Scalable Unified Long-Range Electrostatics and Flexible Ionization for Realistic Biomolecular Simulations on the Exascale (230673686)$$c230673686$$x1 000820847 588__ $$aDataset connected to CrossRef Book Series 000820847 7001_ $$0P:(DE-Juel1)157750$$aBeckmann, Andreas$$b1 000820847 7001_ $$0P:(DE-Juel1)132152$$aKabadshow, Ivo$$b2$$eCorresponding author 000820847 773__ $$a10.1007/978-3-319-40528-5_22 000820847 909CO $$ooai:juser.fz-juelich.de:820847$$pVDB 000820847 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)157750$$aForschungszentrum Jülich$$b1$$kFZJ 000820847 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)132152$$aForschungszentrum Jülich$$b2$$kFZJ 000820847 9131_ $$0G:(DE-HGF)POF3-511$$1G:(DE-HGF)POF3-510$$2G:(DE-HGF)POF3-500$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bKey Technologies$$lSupercomputing & Big Data$$vComputational Science and Mathematical Methods$$x0 000820847 9141_ $$y2016 000820847 915__ $$0StatID:(DE-HGF)0550$$2StatID$$aNo Authors Fulltext 000820847 9201_ $$0I:(DE-Juel1)JSC-20090406$$kJSC$$lJülich Supercomputing Center$$x0 000820847 980__ $$acontrib 000820847 980__ $$aVDB 000820847 980__ $$aUNRESTRICTED 000820847 980__ $$acontb 000820847 980__ $$aI:(DE-Juel1)JSC-20090406