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Pairwise verlet lists: Combining cell lists and verlet lists to improve memory locality and parallelism.

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Title: Pairwise verlet lists: Combining cell lists and verlet lists to improve memory locality and parallelism.
Authors: Gonnet, Pedro1
Source: Journal of Computational Chemistry. Jan2012, Vol. 33 Issue 1, p76-81. 6p.
Subjects: Simulation methods & models, Distributed shared memory, Macro processors, Parallel computers, Multicore processors
Abstract: Verlet lists, which are commonly used in many particle-based simulations, are not suited for modern, shared-memory parallel multicore architectures. In this article, we introduce pairwise Verlet lists: local Verlet lists containing only interacting particle pairs between a pair of neighboring computational cells. We show that these pairwise Verlet lists are more efficient and scale much better than the traditional global Verlet list, both on a single processor as well as on multiple shared-memory cores. The improved performance on a single core makes them an interesting option for distributed-memory simulations as well. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011 [ABSTRACT FROM AUTHOR]
Copyright of Journal of Computational Chemistry is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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DbLabel: Engineering Source
An: 67003041
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PubType: Academic Journal
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  Data: Pairwise verlet lists: Combining cell lists and verlet lists to improve memory locality and parallelism.
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  Data: Verlet lists, which are commonly used in many particle-based simulations, are not suited for modern, shared-memory parallel multicore architectures. In this article, we introduce pairwise Verlet lists: local Verlet lists containing only interacting particle pairs between a pair of neighboring computational cells. We show that these pairwise Verlet lists are more efficient and scale much better than the traditional global Verlet list, both on a single processor as well as on multiple shared-memory cores. The improved performance on a single core makes them an interesting option for distributed-memory simulations as well. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011 [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Computational Chemistry is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1002/jcc.21945
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        Text: English
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        Type: general
      – SubjectFull: Distributed shared memory
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      – SubjectFull: Macro processors
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      – SubjectFull: Parallel computers
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      – SubjectFull: Multicore processors
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      – TitleFull: Pairwise verlet lists: Combining cell lists and verlet lists to improve memory locality and parallelism.
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              Text: Jan2012
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