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Solving the hydrodynamic formulation of quantum mechanics: A parallel MLS method
Author(s) -
Brook R. Glenn,
Oppenheimer Paul E.,
Weatherford Charles A.,
Banicescu Ioana,
Zhu Jianping
Publication year - 2001
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.1509
Subject(s) - computer science , quantum , code (set theory) , trajectory , particle (ecology) , algorithm , parallel algorithm , parallel computing , mathematics , physics , quantum mechanics , oceanography , set (abstract data type) , programming language , geology
Abstract This article documents the first implementation of a parallel algorithm for solving the governing equations of the hydrodynamic formulation of quantum mechanics. The algorithm employs a quantum trajectory method (QTM) based on the serial algorithm introduced by Wyatt and Lopreore. The OpenMP API is employed to parallelize the code across the quantum trajectories in a shared memory environment. An outline of the parallel algorithm is provided; the analytical solution for a moving free particle is used to verify the solution obtained by the parallel algorithm. Further validation against several of the results obtained by Wyatt and Lopreore is also provided. The parallel speedups and runtimes are presented, and several performance issues are noted. Finally, the results of a preliminary accuracy study examining a moving free particle are provided. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001