Li, Maozhen, Rana, Omer Farooq ![]() ![]() |
Abstract
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 interface, 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.
Item Type: | Article |
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Status: | Published |
Schools: | Computer Science & Informatics |
Subjects: | Q Science > QA Mathematics > QA75 Electronic computers. Computer science Q Science > QA Mathematics > QA76 Computer software |
Uncontrolled Keywords: | Problem solving environments ; Java/CORBA components ; Legacy code wrappers ; Distributed parallel computing |
ISSN: | 0167739X |
Last Modified: | 17 Oct 2022 10:07 |
URI: | https://orca.cardiff.ac.uk/id/eprint/6863 |
Citation Data
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