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Formation of an Individual Modeling Environment in a Hybrid High-Performance Computing System

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Abstract

In this paper, we consider the problem of solving scientific problems in the field of materials science in the environment of high-performance computing systems. Mathematical modeling methods implemented by specialized modeling systems is used to solve a certain kind of problems in materials science. The modeling systems show the greatest efficiency when deployed in hybrid high-performance computing systems (HHPC) that allow solving problems in a reasonable time period with sufficient accuracy. However, there are a number of restrictions that affect the work of research teams with modeling systems in the HHPC computing environment: the need to access graphics accelerators at the stage of developing and debugging algorithms in the modeling system, the need to use several modeling systems in order to obtain the optimal solution, and the need to dynamically change the settings of modeling systems for solving problems. The solution to the problem of these restrictions is assigned to the individual modeling environment operating in the HHPC computing environment. The best solution for creating an individual modeling environment is virtual containerization technology. We propose an algorithm for the formation of an individual modeling environment in a hybrid high-performance computing complex based on the Docker virtual containerization system. An individual simulation environment is created by installing the required software in the base container, setting environment variables, and installing custom software and licenses. A feature of the algorithm is the ability to form a library image from a base container with a customized individual modeling environment. The direction for further research work is indicated in the conclusion. The algorithm presented here is independent of the implementation of the problems’ control system and may be used for any high-performance computing system.

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Funding

This study was partially supported by the Russian Foundation for Basic Research, projects 18-29-03100 and 18-07-00669.

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Authors and Affiliations

  1. Federal Research Center “Computer Science and Control,” Russian Academy of Sciences, 119333, Moscow, Russia

    K. I. Volovich & S. A. Denisov

  2. Computing Center of the Far Eastern Branch of the Russian Academy of Sciences, 680000, Khabarovsk, Russia

    S. I. Malkovsky

Authors
  1. K. I. Volovich
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  2. S. A. Denisov
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  3. S. I. Malkovsky
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Corresponding authors

Correspondence to K. I. Volovich, S. A. Denisov or S. I. Malkovsky.

Additional information

Translated by A. Ivanov

This article was prepared based on the materials of a report presented at the 1st International Conference on “Mathematical Modeling in Materials Science of Electronic Components,” Moscow, 2019.

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Volovich, K.I., Denisov, S.A. & Malkovsky, S.I. Formation of an Individual Modeling Environment in a Hybrid High-Performance Computing System. Russ Microelectron 49, 580–583 (2020). https://doi.org/10.1134/S1063739720080107

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  • DOI: https://doi.org/10.1134/S1063739720080107

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