Coupled applications on distributed resources

DOI10.1016/J.CPC.2006.05.008MaRDI QIDQ709973zbMATH OpenOpenAlexFDO

Authors G. De Fabritiis, M. J. Harvey, S. M. Pickles, A. R. Porter, Peter V. Coveney

Publication date 18 October 2010

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/physics/0605171

zbMATH Keywords

grid computingfluid dynamicsmolecular dynamicscoupled modelscomputational steeringonline visualization

Mathematics Subject Classification ID

Abstract: Coupled models are set to become increasingly important in all aspects of science and engineering as tools with which to study complex systems in an integrated manner. Such coupled, hybrid simulations typically communicate data between the component models of which they are comprised relatively infrequently, and so a Grid is expected to present an ideal architecture on which to run them. In the present paper, we describe a simple, flexible and extensible architecture for a two-component hybrid molecular-continuum coupled model (hybrid MD). We discuss its deployment on distributed resources and the extensions to the RealityGrid computational-steering system to handle coupled models.

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(5)

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Describes a project that uses

Uses Software

• VMD
• Globus Toolkit

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