LAMMPS implementation of the Multilevel Summation Method (MSM) for long-range electrostatics calculations
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Proceedings - 2012 SC Companion: High Performance Computing, Networking Storage and Analysis, SCC 2012
The push to exascale computing is informed by the assumption that the architecture, regardless of the specific design, will be fundamentally different from petascale computers. The Mantevo project has been established to produce a set of proxies, or 'miniapps,' which enable rapid exploration of key performance issues that impact a broad set of scientific applications programs of interest to ASC and the broader HPC community. Understanding the conditions under which a miniapp can be confidently used as predictive of an applications' behavior must be clearly elucidated. Toward this end, we have developed a methodology for assessing the predictive capabilities of application proxies. Adhering to the spirit of experimental validation, our approach provides a framework for examining data from the application with that provided by their proxies. In this poster we present this methodology, and apply it to three miniapps developed by the Mantevo project. © 2012 IEEE.
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Contributions to Plasma Physics
Numerical modeling is increasingly becoming an indispensable tool for investigations in many fields of physics. Such modeling is especially useful in today's big science projects as a tool that can provide predictions and design parameters. The reliability of simulation results is thus essential. Code-to-code comparisons can help increase our confidence in simulation results, especially when other verification methods - such as comparison to theoretical models or experimental results - are limited or unavailable. In this paper, we describe a code-to-code comparison exercise wherein we compare one-dimensional vacuum arc discharge simulation results from two independent particle-in-cell (PIC) codes. As part of our case study, we define a vacuum arc discharge test problem that can be used by other research groups for further comparison. Early disagreement between the two sets of our results motivated us to re-examine the underlying methods in our codes. After remedying discrepancies, we observe good agreement in vacuum arc discharge time-to-breakdown, as well as in the time evolution of particle and current densities. This exercise demonstrates the usefulness of code-to-code comparisons and provides an example case study for the benefit of other research groups who may wish to carry out similar code-to-code comparisons. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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