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

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

doi:10.1109/ICCSA.2007.49

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 proceeding › Conference contribution › peer-review

4 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(N²) 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 language	English
Title of host publication	Proceedings - The 2007 International Conference on Computational Science and its Applications, ICCSA 2007
Pages	457-463
Number of pages	7
DOIs	https://doi.org/10.1109/ICCSA.2007.49
Publication status	Published - 2007
Event	2007 International Conference on Computational Science and its Applications, ICCSA 2007 - Kuala Lumpur, Malaysia Duration: 26 Aug 2007 → 29 Aug 2007

Publication series

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

Conference

Conference	2007 International Conference on Computational Science and its Applications, ICCSA 2007
Country/Territory	Malaysia
City	Kuala Lumpur
Period	26/08/07 → 29/08/07

Access to Document

10.1109/ICCSA.2007.49

Cite this

Rendell, A. P., Clarke, B., Janes, P., Milthorpe, J., & Yang, R. (2007). Interval arithmetic and computational science: Rounding and truncation errors in N-body methods. In Proceedings - The 2007 International Conference on Computational Science and its Applications, ICCSA 2007 (pp. 457-463). Article 4301182 (Proceedings - The 2007 International Conference on Computational Science and its Applications, ICCSA 2007). https://doi.org/10.1109/ICCSA.2007.49

Rendell, Alistair P. ; Clarke, Bill ; Janes, Pete et al. / Interval arithmetic and computational science : Rounding and truncation errors in N-body methods. Proceedings - The 2007 International Conference on Computational Science and its Applications, ICCSA 2007. 2007. pp. 457-463 (Proceedings - The 2007 International Conference on Computational Science and its Applications, ICCSA 2007).

@inproceedings{9c5e3f421ccd4968ae2486ec2c395143,

title = "Interval arithmetic and computational science: Rounding and truncation errors in N-body methods",

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(N2) 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",

author = "Rendell, {Alistair P.} and Bill Clarke and Pete Janes and Josh Milthorpe and Rui Yang",

year = "2007",

doi = "10.1109/ICCSA.2007.49",

language = "English",

isbn = "0769529453",

series = "Proceedings - The 2007 International Conference on Computational Science and its Applications, ICCSA 2007",

pages = "457--463",

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note = "2007 International Conference on Computational Science and its Applications, ICCSA 2007 ; Conference date: 26-08-2007 Through 29-08-2007",

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Rendell, AP, Clarke, B, Janes, P, Milthorpe, J & Yang, R 2007, Interval arithmetic and computational science: Rounding and truncation errors in N-body methods. in Proceedings - The 2007 International Conference on Computational Science and its Applications, ICCSA 2007., 4301182, Proceedings - The 2007 International Conference on Computational Science and its Applications, ICCSA 2007, pp. 457-463, 2007 International Conference on Computational Science and its Applications, ICCSA 2007, Kuala Lumpur, Malaysia, 26/08/07. https://doi.org/10.1109/ICCSA.2007.49

Interval arithmetic and computational science: Rounding and truncation errors in N-body methods. / Rendell, Alistair P.; Clarke, Bill; Janes, Pete et al.
Proceedings - The 2007 International Conference on Computational Science and its Applications, ICCSA 2007. 2007. p. 457-463 4301182 (Proceedings - The 2007 International Conference on Computational Science and its Applications, ICCSA 2007).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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AU - Janes, Pete

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AU - Yang, Rui

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Y1 - 2007

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AB - 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(N2) 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

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

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Rendell AP, Clarke B, Janes P, Milthorpe J, Yang R. Interval arithmetic and computational science: Rounding and truncation errors in N-body methods. In Proceedings - The 2007 International Conference on Computational Science and its Applications, ICCSA 2007. 2007. p. 457-463. 4301182. (Proceedings - The 2007 International Conference on Computational Science and its Applications, ICCSA 2007). doi: 10.1109/ICCSA.2007.49

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

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