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Scalability of DL_POLY on High Performance Computing Platform

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dc.contributor.author Mabakane, Mabule S
dc.contributor.author Moeketsi, Daniel M
dc.contributor.author Lopis, Anton S
dc.date.accessioned 2018-01-04T10:43:19Z
dc.date.available 2018-01-04T10:43:19Z
dc.date.issued 2017-12
dc.identifier.citation Mabakane, M.S., Moeketsi, D.M. and Lopis, A.S. 2017. Scalability of DL_POLY on High Performance Computing Platform. South African Computer Journal, vol. 29(3): 81-94 en_US
dc.identifier.issn 1015-7999
dc.identifier.uri http://dx.doi.org/10.18489/sacj.v29i3.405
dc.identifier.uri http://sacj.cs.uct.ac.za/index.php/sacj/article/view/405
dc.identifier.uri http://hdl.handle.net/10204/9905
dc.description This article is published under a Creative Commons Attribution-NonCommercial 4.0 International License en_US
dc.description.abstract This paper presents a case study on the scalability of several versions of the molecular dynamics code (DL_POLY) performed on South Africa‘s Centre for High Performance Computing e1350 IBM Linux cluster, Sun system and Lengau supercomputers. Within this study different problem sizes were designed and the same chosen systems were employed in order to test the performance of DL_POLY using weak and strong scalability. It was found that the speed-up results for the small systems were better than large systems on both Ethernet and Infiniband network. However, simulations of large systems in DL_POLY performed well using Infiniband network on Lengau cluster as compared to e1350 and Sun supercomputer. en_US
dc.language.iso en en_US
dc.relation.ispartofseries Worklist;19979
dc.subject DL_POLY en_US
dc.subject E1350 IBM Linux cluster en_US
dc.subject Ethernet network en_US
dc.subject Infiniband network en_US
dc.subject Lengau supercomputer en_US
dc.subject Strong scalability en_US
dc.subject Sun system en_US
dc.subject Weak scalability en_US
dc.title Scalability of DL_POLY on High Performance Computing Platform en_US
dc.type Article en_US
dc.identifier.apacitation Mabakane, M. S., Moeketsi, D. M., & Lopis, A. S. (2017). Scalability of DL_POLY on High Performance Computing Platform. http://hdl.handle.net/10204/9905 en_ZA
dc.identifier.chicagocitation Mabakane, Mabule S, Daniel M Moeketsi, and Anton S Lopis "Scalability of DL_POLY on High Performance Computing Platform." (2017) http://hdl.handle.net/10204/9905 en_ZA
dc.identifier.vancouvercitation Mabakane MS, Moeketsi DM, Lopis AS. Scalability of DL_POLY on High Performance Computing Platform. 2017; http://hdl.handle.net/10204/9905. en_ZA
dc.identifier.ris TY - Article AU - Mabakane, Mabule S AU - Moeketsi, Daniel M AU - Lopis, Anton S AB - This paper presents a case study on the scalability of several versions of the molecular dynamics code (DL_POLY) performed on South Africa‘s Centre for High Performance Computing e1350 IBM Linux cluster, Sun system and Lengau supercomputers. Within this study different problem sizes were designed and the same chosen systems were employed in order to test the performance of DL_POLY using weak and strong scalability. It was found that the speed-up results for the small systems were better than large systems on both Ethernet and Infiniband network. However, simulations of large systems in DL_POLY performed well using Infiniband network on Lengau cluster as compared to e1350 and Sun supercomputer. DA - 2017-12 DB - ResearchSpace DO - 10.18489/sacj.v29i3.405 DP - CSIR KW - DL_POLY KW - E1350 IBM Linux cluster KW - Ethernet network KW - Infiniband network KW - Lengau supercomputer KW - Strong scalability KW - Sun system KW - Weak scalability LK - https://researchspace.csir.co.za PY - 2017 SM - 1015-7999 T1 - Scalability of DL_POLY on High Performance Computing Platform TI - Scalability of DL_POLY on High Performance Computing Platform UR - http://hdl.handle.net/10204/9905 ER - en_ZA


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