Parallelization of the GROMOS87 Molecular Dynamics Code: An Update

Autor:	Daron Green, Ken Meacham
Přispěvatelé:	Liddel, H, Colbrook, A, Hertzberger, V, Sloot, P
Jazyk:	angličtina
Rok vydání:	1996
Předmět:	Structure (mathematical logic) Computer science Code (cryptography) Parallel computing Porting
Zdroj:	High-Performance Computing and Networking ISBN: 9783540611424 HPCN Europe
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d1b276b68c9e05e907ad040f4d6ce460 https://eprints.soton.ac.uk/252522/ Zobrazit plný text záznamu