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Performance of MD-Algorithms on Hybrid Systems-on-Chip Nvidia Tegra K1 & X1

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Supercomputing (RuSCDays 2016)

Part of the book series: Communications in Computer and Information Science ((CCIS,volume 687))

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Abstract

In this paper we consider the efficiency of hybrid systems-on-a-chip for high-performance calculations. Firstly, we build Roofline performance models for the systems considered using Empirical Roofline Toolkit and compare the results with the theoretical estimates. Secondly, we use LAMMPS as an example of the molecular dynamic package to demonstrate its performance and efficiency in various configurations running on Nvidia Tegra K1 & X1. Following the Roofline approach, we attempt to distinguish compute-bound and memory-bound conditions for the MD algorithm using the Lennard-Jones liquid model. The results are discussed in the context of the LAMMPS performance on Intel Xeon CPUs and the Nvidia Tesla K80 GPU.

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Acknowledgments

HSE and MIPT provided funds for purchasing the hardware used in this study. The authors are grateful to the Forsite company for the access to the server with Nvidia Tesla K80. The authors acknowledge Joint Supercomputer Centre of RAS for the access to MVS-100K and MVS-10P supercomputers. The work was supported by the grant No. 14-50-00124 of the Russian Science Foundation.

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Authors and Affiliations

  1. Joint Institute for High Temperatures of RAS, Moscow, Russia

    Vsevolod Nikolskii, Vyacheslav Vecher & Vladimir Stegailov

  2. Moscow Institute of Physics and Technology (State University), Dolgoprudny, Russia

    Vyacheslav Vecher

  3. National Research University Higher School of Economics, Moscow, Russia

    Vsevolod Nikolskii

Authors
  1. Vsevolod Nikolskii
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  2. Vyacheslav Vecher
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  3. Vladimir Stegailov
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Correspondence to Vladimir Stegailov .

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Editors and Affiliations

  1. Research Computing Center (RCC), Moscow State University, Moscow, Russia

    Vladimir Voevodin

  2. Moscow State University, Moscow, Russia

    Sergey Sobolev

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Nikolskii, V., Vecher, V., Stegailov, V. (2016). Performance of MD-Algorithms on Hybrid Systems-on-Chip Nvidia Tegra K1 & X1. In: Voevodin, V., Sobolev, S. (eds) Supercomputing. RuSCDays 2016. Communications in Computer and Information Science, vol 687. Springer, Cham. https://doi.org/10.1007/978-3-319-55669-7_16

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  • DOI: https://doi.org/10.1007/978-3-319-55669-7_16

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