Method of creating a load balanced spatial partitioning of a...

Data processing: structural design – modeling – simulation – and em – Simulating nonelectrical device or system

Reexamination Certificate

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C703S002000

Reexamination Certificate

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07860695

ABSTRACT:
A method and system are disclosed for creating a load balanced spatial partitioning of a structured, diffusing system of particles with pairwise interactions that is scalable to a very large number of nodes and has favorable communications characteristics including well defined bounds on the number of hops and the number of nodes to which a particle's position must be sent. To deal with structural imbalance, a weight is assigned corresponding to the computational cost for a particular pair interaction of particles or locally clustered groups of particles to simulation space at the midpoint of the distance between the particles or centers of the clusters. A spatial partitioning of the simulation volume is then carried out using a k-d tree or optimal recursive bisection (ORB) to divide the volume into sections that have approximately equal total weights.

REFERENCES:
Nyland et al., Achieving Scalable parallel Molecular Dynamics Using Dynamic Spatial Domain Decomposition Techniques, 1997, Journal of Parallel and Distributed Computing, vol. 47, pp. 125-138.
Nakano, Aiichiro, Multiresolution Load Balancing in Curved Space: the wavelet representation, 1999, Concurrency: Practice and Experience, vol. 11, pp. 343-353.
T. P. Straatsma, J. A. McCammon, “Load balancing of molecular dynamics simulation with NWChem.” 2001.

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