Recent developments in applied mathematics and mechanics: theory, experiment and practice. Devoted to the 80th anniversary of academician N.N.Yanenko

Akademgorodok, Novosibirsk, Russia, June 24 - 29, 2001

Abstracts

Foreign participants

About the simulation of Newtonian molecular dynamics with parallel computing

Froehner M., Myrnyy, V.

Brandenburg University of Technology Cottbus,
Institute of Mathematics (Cottbus)

The talk deals with the computational modelling of Newtonian molecular dynamics of gas. Modern and the most suitable for solution the problem are considered. Among them multistep methods such as Predictor-Corrector, Gear's representation and symplectic method for Hamiltonian systems were taken. Due the basis of these methods the development of C++ program application in UNIX operating system is described.

The difficulty of modelling problem lies in high computational complexity of the system with a large number of particles. That's why the problem is decomposed on parallel processes which denote some number of independent programs capable to work simultaneously with an exchange of data between themselves.

Numerical results and their graphical presentation are given.

Note. Abstracts are published in author's edition

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