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Parallelization of the GROMOS87 Molecular Dynamics Code: An Update

Meacham, K and Green, D, (1996) Parallelization of the GROMOS87 Molecular Dynamics Code: An Update Liddel, H, Colbrook, A, Hertzberger, V and Sloot, P (eds.) At High Performance Computing and Networking, Belgium. 15 - 19 Apr 1996. , pp. 170-177.

Record type: Conference or Workshop Item (Paper)


In this paper, we describe the performance of the parallel GROMOS87 code, developed under the ESPRIT EUROPORT-2/PACC project, and indicate its potential impact in industry. An outline of the parallel code structure is given, followed by a discussion of the results of some industrially-relevant testcases. Conclusions are drawn as to the overall success of the project, and lessons learned from the porting and benchmarking activities, which show that the parallel code can enable more ambitious use of molecular simulation in industry.

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Published date: 1996
Additional Information: Lecture Notes in Computer Science Event Dates: 15-19 April 1996
Venue - Dates: High Performance Computing and Networking, Belgium, 1996-04-15 - 1996-04-19
Organisations: Electronics & Computer Science, IT Innovation


Local EPrints ID: 252522
PURE UUID: e60b3fa3-1ab1-41ca-83cd-826eaf14c101

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Date deposited: 21 Mar 2003
Last modified: 18 Jul 2017 10:04

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Author: K Meacham
Author: D Green
Editor: H Liddel
Editor: A Colbrook
Editor: V Hertzberger
Editor: P Sloot

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