MPiSIM: Massively parallel simulation tool for metallic system
Yue Qi, Tahir Çağın, William A. Goddard III
2003Journal of Computer-Aided Materials Design, 8(2/3), 185-1922cited
Abstract
We report a domain decomposition molecular dynamics (MD) for simulation on metallic systems based on distributed parallel computers. The method is a development of a spatial decomposition in 3-D space with the combination of link-cell and neighbor list techniques for enhanced efficiency. The algorithm has been successfully implemented on the Origin2000, Wolf, HP Examplar etc. various platforms. The scaling performance on these platforms will be discussed and several applications in metallic systems will also be given in the paper.
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Cite this publication
Qi, Y., Çağın, T., & III, W. A. G. (2003). MPiSIM: Massively parallel simulation tool for metallic system. *Journal of Computer-Aided Materials Design*, *8*(2/3), 185-192. https://doi.org/10.1023/A:1020030329839