Parallelization of the quantum dynamics code for cluster architecture and its applications to the Gross-Pitaevskii equation

We present a parallel version of a quantum dynamics (QD) algorithm in a wave function representation. The algorithm has been optimized for a Linux cluster as well as for Cray T3E, using a parallel version of a three‐dimensional FFT library. We have applied this algorithm for solving the nonlinear Gr...

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Bibliographic Details
Published in:International journal of quantum chemistry 2006, Vol.106 (3), p.664-669
Main Authors: Gorecki, Adam, Bala, Piotr, Lesyng, Bogdan
Format: Article
Language:English
Subjects:
Fourier methods
Gross-Pitaevskii equation
parallel computing
quantum dynamics
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Summary:We present a parallel version of a quantum dynamics (QD) algorithm in a wave function representation. The algorithm has been optimized for a Linux cluster as well as for Cray T3E, using a parallel version of a three‐dimensional FFT library. We have applied this algorithm for solving the nonlinear Gross–Pitaevskii equation (GPE), which describes the evolution of Bose–Einstein condensates (BEC) in the mean field approximation. Our method reduces the computational time and allows the study of nonlinear quantum systems. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2006
ISSN:0020-7608
1097-461X
DOI:10.1002/qua.20828