ICAMS / Interdisciplinary Centre for Advanced Materials Simulation
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Particle methods on multicore architectures: experiences and future plans

A. Schiller, G. Sutmann, L. Martinell, P. Bellens, R.M. Badia.

T.E. Simos, G. Psihoyios, C. Tsitouras,

Proceedings of the international conference on numerical analysis and applied mathematics 010 (ICNAAM 2010), American Institute of Physics, 1281, 1797 - 1800, (2010)


The requirement of high performance memory for computer simulations is still growing. Due to hardware constraints like power consumption, heat dissipation and other physical limitations the development trend in high performance computing (HPC) tends to multicore design patterns. As new computational platforms become increasingly more complicated and heterogeneous, there is the need for portable programming models that easily enable the exploitation of these architectures. Additionally, algorithms are needed that are able to match the platform specific requirements and exploit their potential power.This work focuses on the particle-based algorithm Multiparticle Collision Dynamics (MPC) for the calculation of hydrody-namic properties of fluid and flow phenomena. This algorithm has already been ported to Cell Broadband Engine (Cell/BE) by using the high-level programming model Cell Superscalar (CellSs). Performance results of the Cell/BE implementation and a recently developed OpenMP version are presented. Furthermore, the possibilities for porting this application also to GPUs with minor effort are pointed out and a strategy for hybrid implementations to use multiple nodes in a cluster are examined.

Keyword(s): cellular biophysics; programming; molecular dynamics method; algorithmic languages
DOI: 10.1063/1.3498233
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