Particle based simulations of complex systems with MP2C: hydrodynamics and electrostatics
G. Sutmann, L. Westphal, M. Bolten.T.E. Simos,
AIP Conference Proceedings, American Institute of Physics, 1281, 1768-1772, (2010)
Particle based simulation methods are well established paths to explore system behavior on microscopic to mesoscopic time and length scales. With the development of new computer architectures it becomes more and more important to concentrate on local algorithms which do not need global data transfer or reorganisation of large arrays of data across processors. This requirement strongly addresses long‐range interactions in particle systems, i.e. mainly hydrodynamic and electrostatic contributions. In this article, emphasis is given to the implementation and parallelization of the Multi‐Particle Collision Dynamics method for hydrodynamic contributions and a splitting scheme based on Multigrid for electrostatic contributions. Implementations are done for massively parallel architectures and are demonstrated for the IBM Blue Gene∕P architecture Jugene in Jülich.
Keyword(s): hydrodynamics; stochastic processes; rotational flow; shear flow