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GridMD: Program Architecture for Distributed Molecular Simulation

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Book cover Distributed and Parallel Computing (ICA3PP 2005)

Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 3719))

Abstract

In the present work we describe architectural concepts of the distributed molecular simulation package GridMD. The main purpose of this work is to underline the construction patterns which may help to generalize the design of an application for extensive atomistic simulations. The issues such as design-time parallel execution implication, flexibility and extensions, portability to Grid environments and maximal adaptation of existing third-party codes and resources are addressed. The library is being currently developed, with gradually growing number of available components and tools. The basic GridMD engine is a free software and is distributed under the terms of wxWidgets library license [1].

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References

  1. http://www.wxwidgets.org

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Author information

Authors and Affiliations

  1. Institute for High Energy Densities of the Russian Academy of Science, Izhorskaya 13/19, 127412, Moscow, Russia

    Ilya Valuev

Authors
  1. Ilya Valuev
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Editor information

Editors and Affiliations

  1. School of Information Technology, Geelong, Deakin University, 3217, Vic, Australia

    Michael Hobbs

  2. School of Engineering and Information Technology, Deakin University, Pigdons Road, Geelong

    Andrzej M. Goscinski

  3. Deakin University, Melbourne, Australia

    Wanlei Zhou

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© 2005 Springer-Verlag Berlin Heidelberg

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Valuev, I. (2005). GridMD: Program Architecture for Distributed Molecular Simulation. In: Hobbs, M., Goscinski, A.M., Zhou, W. (eds) Distributed and Parallel Computing. ICA3PP 2005. Lecture Notes in Computer Science, vol 3719. Springer, Berlin, Heidelberg. https://doi.org/10.1007/11564621_35

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  • DOI: https://doi.org/10.1007/11564621_35

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-29235-7

  • Online ISBN: 978-3-540-32071-5

  • eBook Packages: Computer ScienceComputer Science (R0)

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