Abstract
Molecular dynamics codes are widely used on scalar architectures where they exhibit good performance and scalability. For vector architectures, special al-gorithms like Layered Link Cell and Grid Search have been developed. Nevertheless, the performance measured on the NEC SX-8 remains unsatisfactory. The reasons for these performance deficits are studied in this paper.
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Benkert, K., Gähler, F. (2007). Molecular Dynamics on NEC Vector Systems. In: Resch, M., Bönisch, T., Tiyyagura, S., Furui, T., Seo, Y., Bez, W. (eds) High Performance Computing on Vector Systems 2006. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-68743-6_10
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DOI: https://doi.org/10.1007/978-3-540-68743-6_10
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-47692-4
Online ISBN: 978-3-540-68743-6
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