Techniques for wrapping an MPI-based molecular dynamics (MD) simulation code as java/corba components, for use within a distributed component based problem solving environment (CB-PSE), is presented. A legacy code for...
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Techniques for wrapping an MPI-based molecular dynamics (MD) simulation code as java/corba components, for use within a distributed component based problem solving environment (CB-PSE), is presented. A legacy code for simulating a Lennard-Jones fluid is first wrapped as a single corba object, followed by division of the code into computational sub-units, where each sub-unit is wrapped as a corba object containing MPI calls, and run on a cluster of workstations - enabling different MPI implementations to inter-operate. Using a java implementation, users can submit simulation tasks through a Web based inter-face, without needing to know implementation details of the legacy code, or the exact interaction between sub-units within the code. We provide performance comparisons of wrapping the entire MD code as a single object versus wrapping sub-units within it, and offer a simple performance model to explain our findings. (C) 2001 Elsevier Science B.V. All rights reserved.
This paper describes a Wrapper Generator for wrapping high performance legacy codes as java/corba components for use in a distributed component-based problem-solving environment. Using the Wrapper Generator we have au...
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ISBN:
(纸本)9780780398023
This paper describes a Wrapper Generator for wrapping high performance legacy codes as java/corba components for use in a distributed component-based problem-solving environment. Using the Wrapper Generator we have automatically wrapped an MPI-based legacy code as a single corba object, and implemented a problem-solving environment for molecular dynamicsimulations. Performance comparisons between runs of the corba object and the original legacy code on a cluster of workstations and on a parallel computer are also presented.
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