Solving the hydrodynamic formulation of quantum mechanics: A parallel MLS method

Citation
Rg. Brook et al., Solving the hydrodynamic formulation of quantum mechanics: A parallel MLS method, INT J QUANT, 85(4-5), 2001, pp. 263-271
Citations number
59
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
ISSN journal
00207608 → ACNP
Volume
85
Issue
4-5
Year of publication
2001
Pages
263 - 271
Database
ISI
SICI code
0020-7608(200111/12)85:4-5<263:STHFOQ>2.0.ZU;2-S
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 o n the serial algorithm introduced by Wyatt and Lopreore. The OpenMP API is employed to parallelize the code across the quantum trajectories in a share d memory environment. An outline of the parallel algorithm is provided; the analytical solution for a moving free particle is used to verify the solut ion obtained by the parallel algorithm. Further validation against several of the results obtained by Wyatt and Lopreore is also provided. The paralle l speedups and runtimes are presented, and several performance issues are n oted. Finally, the results of a preliminary accuracy study examining a movi ng free particle are provided. (C) 2001 John Wiley & Sons, Inc.