Interval arithmetic and computational science: Rounding and truncation errors in N-body methods

Alistair P. Rendell, Bill Clarke, Pete Janes, Josh Milthorpe, Rui Yang

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

3 Citations (Scopus)

Abstract

Interval arithmetic is an alternative computational paradigm that enables arithmetic operations to be performed with guarantee error bounds. In this paper interval arithmetic is used to compare the accuracy of various methods for computing the electrostatic energy for a system of point charges. A number of summation approaches that scale as O(N 2 ) are considered, as is an O(N) scaling Fast Multipole Method (FMM). Results are presented for various sizes of water cluster in which each water molecule is described using the popular TIP3P water model. For FMM a subtle balance between the dominance of either rounding or truncation errors is demonstrated

Original languageEnglish
Title of host publicationProceedings - The 2007 International Conference on Computational Science and its Applications
Subtitle of host publicationICCSA 2007, Kuala Lampur, Malaysia, August 26-29, 2007, Selected Papers
Pages457-466
Number of pages10
DOIs
Publication statusPublished - 2007
Externally publishedYes
Event2007 International Conference on Computational Science and its Applications, ICCSA 2007 - Kuala Lumpur, Malaysia
Duration: 26 Aug 200729 Aug 2007

Publication series

NameProceedings - The 2007 International Conference on Computational Science and its Applications, ICCSA 2007

Conference

Conference2007 International Conference on Computational Science and its Applications, ICCSA 2007
CountryMalaysia
CityKuala Lumpur
Period26/08/0729/08/07

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