Remote control system for high-perfomance computer simulation of crystal growth by the PFC method

International Conference "Structural and Phase Transformations in Materials: Theory, Computer Modelling and Experiment"

材料科学;计算机科学

Pavlyuk, Evgeny^1 ; Starodumov, Ilya^2 ; Osipov, Sergei^3

Department of Computational Mathematics and Computer Science, Ural Federal University, Ekaterinburg

620000, Russia^1

Laboratory of Multi-Scale Mathematical Modelling, Ural Federal University, Ekaterinburg

620000, Russia^2

School of Natural Sciences and Mathematics, Ural Federal University, Ekaterinburg

620000, Russia^3

关键词: Complex computer systems;    Computational materials science;    Crystallization process;    Data storage systems;    High-performance computing clusters;    Phase-field crystals;    Practical experience;    Scientific researches;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/192/1/012016/pdf
DOI  :  10.1088/1757-899X/192/1/012016

来源: IOP

【 摘 要 】

Modeling of crystallization process by the phase field crystal method (PFC) - one of the important directions of modern computational materials science. In this paper, the practical side of the computer simulation of the crystallization process by the PFC method is investigated. To solve problems using this method, it is necessary to use high-performance computing clusters, data storage systems and other often expensive complex computer systems. Access to such resources is often limited, unstable and accompanied by various administrative problems. In addition, the variety of software and settings of different computing clusters sometimes does not allow researchers to use unified program code. There is a need to adapt the program code for each configuration of the computer complex. The practical experience of the authors has shown that the creation of a special control system for computing with the possibility of remote use can greatly simplify the implementation of simulations and increase the performance of scientific research. In current paper we show the principal idea of such a system and justify its efficiency.