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IMD — A Massively Parallel Molecular Dynamics Package for Classical Simulations in Condensed Matter Physics

In: High Performance Computing in Science and Engineering ’99

Author

Listed:
  • Johannes Roth

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

  • Jörg Stadler

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

  • Marco Brunelli

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

  • Dietmar Bunz

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

  • Franz Gähler

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

  • Jutta Hahn

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

  • Martin Hohl

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

  • Christof Horn

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

  • Jutta Kaiser

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

  • Ralf Mikulla

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

  • Gunther Schaaf

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

  • Joachim Stelzer

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

  • Hans-Rainer Trebin

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

Abstract

We describe the current development status of IMD (ITAP Molecular Dynamics), a software package for classical molecular dynamics simulations on massively-parallel computers. IMD is a general purpose program which can be used for all kinds of two —and three-dimensional studies in condensed matter physics, in addition to the usual MD features it contains a number of special routines for simulation of mechanical properties of solids, analysis and visualization.

Suggested Citation

  • Johannes Roth & Jörg Stadler & Marco Brunelli & Dietmar Bunz & Franz Gähler & Jutta Hahn & Martin Hohl & Christof Horn & Jutta Kaiser & Ralf Mikulla & Gunther Schaaf & Joachim Stelzer & Hans-Rainer Tr, 2000. "IMD — A Massively Parallel Molecular Dynamics Package for Classical Simulations in Condensed Matter Physics," Springer Books, in: Egon Krause & Willi Jäger (ed.), High Performance Computing in Science and Engineering ’99, pages 72-81, Springer.
    • Handle: RePEc:spr:sprchp:978-3-642-59686-5_7
    DOI: 10.1007/978-3-642-59686-5_7
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