This title appears in the Scientific Report : 2010 

Gradienten basiertes Lastbalance-Verfahren für teilchenbasierte Simulation
Freche, Jens (Corresponding author)
Jülich Supercomputing Center; JSC
Jülich Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag 2010
92, IV p.
Aachen, FH, Campus Jülich, Masterarbeit
Master Thesis
Computational Science and Mathematical Methods
Scientific Computing
Berichte des Forschungszentrums Jülich 4330
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The highly scalable program Massively Parallel Multi-Particle Collision (MP2C) is currently developed in the Simulation Laboratory Molecular Systems at Juelich Supercomputing Centre. MP2C simulates particles and their interactions based on molecular dynamics and hydrodynamics. The MPI parallelized program is based on a domain decomposition, i. e. the system in divided into equal-sized geometrical domains and each processor handles the particles of one domain. Due to the movement of the particles, the distribution of particles among the domains can become imbalanced during the simulation. To optimize the performance, a load balancing method is used which ensures that the workload is equally distributed among the processes. This thesis introduces a load balancing method which bases on gradients. In this method, grid points are moved to change the volume of the domains in a way that domains with lots of particles attract grid points whereas domains with only a few particles repel them. In this regard, an efficient algorithm to determine the correct domain containing the particle is developed. Finally, the results are analyzed and the practicability for MP2C is discussed.