GPU-Accelerated Molecular Dynamics: Energy Consumption and Performance

  • Vyacheslav VecherEmail author
  • Vsevolod Nikolskii
  • Vladimir Stegailov
Conference paper
Part of the Communications in Computer and Information Science book series (CCIS, volume 687)


Energy consumption of hybrid systems is an actual problem of modern high-performance computing. The trade-off between power consumption and performance becomes more and more prominent. In this paper, we discuss the energy and power efficiency of two modern hybrid minicomputers Jetson TK1 and TX1. We use the Empirical Roofline Tool to obtain peak performance data and the molecular dynamics package LAMMPS as an example of a real-world benchmark. Using the precise wattmeter, we measure Jetsons power consumption profiles. The effectiveness of DVFS is examined as well. We determine the optimal GPU and DRAM frequencies that give the minimum energy-to-solution value.


Nvidia Jetson LAMMPS Energy efficiency 



HSE and MIPT provided funds for purchasing the hardware used in this study. The work was supported by the grant No. 14-50-00124 of the Russian Science Foundation.


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Copyright information

© Springer International Publishing AG 2016

Authors and Affiliations

  • Vyacheslav Vecher
    • 1
    • 2
    Email author
  • Vsevolod Nikolskii
    • 1
    • 3
  • Vladimir Stegailov
    • 1
  1. 1.Joint Institute for High Temperatures of RASMoscowRussia
  2. 2.Moscow Institute of Physics and Technology (State University)DolgoprudnyRussia
  3. 3.National Research University Higher School of EconomicsMoscowRussia

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