J.P. PABICO. In Proceedings (CDROM ISSN 1656-2666) of the Samahang Pisika ng Pilipinas Volume 3. 24th SPP National Physics Congress, Ateneo de Davao University, Davao City, Philippines, 25-27 October 2006. Samahang Pisika ng Pilipinas.

Abstract

This paper presents a computational strategy for improving the performance of wavepacket simulations using the quantum trajectory method (QTM). A multi-agent-based loop scheduling technique is utilized to dynamically load balance the parallel computation of the trajectories. The load imbalance introduced by the parallel runtime system and by the computationally-intensive moving weighted least squares (MWLS), the governing equations for the trajectories of the pseudoparticles, is reduced by the multi-agent-based loop scheduling at higher number of processors. Results of experiments on a multi-purpose message-passing cluster are presented to confirm that the multi-agent-based loop scheduling achieves better performance than with the current best adaptive loop scheduling technique when simulating a free particle at higher number of processors.

Keywords: Wavepacket simulations, quantum trajectory method, multi-agent system, loop scheduling.