Evaluation of a Nearest-Neighbor Load Balancing Strategy for Parallel Molecular Simulations in MPI Environment

We evaluate the effectiveness of an iterative nearest-neighbor load balancing algorithm: Generalized Dimension Exchange (G.D.E.) method over Molecular Dynamics Simulations. Due to the overhead of the method, the simulation performance improves when the system tolerates some degree of unbalance. We p...

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Hauptverfasser:	Di Serio, Angela, Ibáñez, María B.
Format:	Buchkapitel
Sprache:	eng
Schlagworte:	Applied sciences Computer science control theory systems Computer systems and distributed systems. User interface Exact sciences and technology Load Balance Load Balance Algorithm Load Balance Method Parallel Molecular Dynamics Simulation Software Trigger Condition
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Beschreibung
Zusammenfassung:	We evaluate the effectiveness of an iterative nearest-neighbor load balancing algorithm: Generalized Dimension Exchange (G.D.E.) method over Molecular Dynamics Simulations. Due to the overhead of the method, the simulation performance improves when the system tolerates some degree of unbalance. We present a method to calibrate the best tolerance level for a simulation running on a homogeneous platform using MPI.
ISSN:	0302-9743 1611-3349
DOI:	10.1007/3-540-45825-5_38