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Implementation of ECEPP-based programs on the IBM SP2 and the SGI Power Challenge computers

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High-Performance Computing and Networking (HPCN-Europe 1996)

Part of the book series: Lecture Notes in Computer Science ((LNCS,volume 1067))

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Abstract

In this paper, we describe the design and implementation of a message-passing algorithm which enables the Empirical Conformational Energy Program for Peptides (ECEPP/3) and related programs to run efficiently on the IBM RISC System/6000 POWERparallel System (SP2). Either the Message Passing Library (MPL) or the Message Passing Interface (MPI) can be used on the SP2; the MPI version also runs on the SGI Power Challenge computer. Some performance data are presented.

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Author information

Authors and Affiliations

  1. Cornell Theory Center, Cornell University, 14853, Ithaca, NY, USA

    Timothy J. O'Donnell, Steven G. Hotovy, Marcia S. Pottle & Daniel R. Ripoll

  2. Baker Laboratory of Chemistry, Cornell University, 14853, Ithaca, NY, USA

    Harold A. Scheraga

Authors
  1. Timothy J. O'Donnell
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  2. Steven G. Hotovy
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  3. Marcia S. Pottle
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  4. Daniel R. Ripoll
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  5. Harold A. Scheraga
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Editor information

Heather Liddell Adrian Colbrook Bob Hertzberger Peter Sloot

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© 1996 Springer-Verlag Berlin Heidelberg

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O'Donnell, T.J., Hotovy, S.G., Pottle, M.S., Ripoll, D.R., Scheraga, H.A. (1996). Implementation of ECEPP-based programs on the IBM SP2 and the SGI Power Challenge computers. In: Liddell, H., Colbrook, A., Hertzberger, B., Sloot, P. (eds) High-Performance Computing and Networking. HPCN-Europe 1996. Lecture Notes in Computer Science, vol 1067. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-61142-8_571

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  • DOI: https://doi.org/10.1007/3-540-61142-8_571

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-61142-4

  • Online ISBN: 978-3-540-49955-8

  • eBook Packages: Springer Book Archive

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