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International Conference of the Austrian Center for Parallel Computation

ACPC 1999: Parallel Computation pp 163–172Cite as

Performance Analysis and Derived Parallelization Strategy for a SCF Program at the Hartree Fock Level

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Part of the book series: Lecture Notes in Computer Science ((LNCS,volume 1557))

Abstract

General performance measurement tools, as provided on a SGI-Power Challenge/R10000 (194 MHz) running IRIX 6.2, which are the shell-commands perfex - a a.out and ssrun - [pcsampl, ideal, usertime] a.out, have been used for profiling a new SCF-program based on the Hartree Fock theory. The main cpu-time-consuming subroutine was detected and a parallel version with PVM 3.3 at a host-node model has been deduced. Speed-up parameters are presented and discussed.

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Author information

Authors and Affiliations

  1. Institute for Theoretical Chemistry, Molecular Dynamics Group, University of Vienna, Währingerstr. 17 Ground Floor, A-1090, Vienna, Austria

    Siegfried Höfinger & Othmar Steinhauser

  2. Institute for Mathematics, University of Salzburg, Hellbrunnerstr. 34, A-5020, Salzburg, Austria

    Peter Zinterhof

Authors
  1. Siegfried Höfinger
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  2. Othmar Steinhauser
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  3. Peter Zinterhof
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Editor information

Editors and Affiliations

  1. Forschungsinstitut für Softwaretechnologie, Hellbrunnerstr. 34, A-5020, Salzburg, Austria

    Peter Zinterhof

  2. Slovac Academy of Sciences, Institute of Mathematics, Laboratory for Informatics, Dubravska 9, P.O.Box 56, 840 00, Bratislava, Slovakia

    Marian Vajteršic

  3. Universität Salzburg, RIST++, Hellbrunnerstr. 34, A-5020, Salzburg, Austria

    Andreas Uhl

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© 1999 Springer-Verlag Berlin Heidelberg

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Höfinger, S., Steinhauser, O., Zinterhof, P. (1999). Performance Analysis and Derived Parallelization Strategy for a SCF Program at the Hartree Fock Level. In: Zinterhof, P., Vajteršic, M., Uhl, A. (eds) Parallel Computation. ACPC 1999. Lecture Notes in Computer Science, vol 1557. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-49164-3_16

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  • DOI: https://doi.org/10.1007/3-540-49164-3_16

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-65641-8

  • Online ISBN: 978-3-540-49164-4

  • eBook Packages: Springer Book Archive

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