Software refactoring: solving the time-dependent Schrodinger equation via fast Fourier transforms and parallel programming

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To access the full text documents, please follow this link: http://hdl.handle.net/2117/16829

dc.contributor	Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear
dc.contributor	Universitat Politècnica de Catalunya. SIMCON - Grup de Recerca de Simulació per Ordinador en Matèria Condensada
dc.contributor.author	Khwaldeh, Ali
dc.contributor.author	Tahat, Amani
dc.contributor.author	Martí Rabassa, Jordi
dc.date	2012-10-30
dc.identifier.citation	Khwaldeh, A.; Tahat, A.; Marti, J. Software refactoring: solving the time-dependent Schrodinger equation via fast Fourier transforms and parallel programming. "Journal of applied sciences", 30 Octubre 2012, vol. 12, núm. 20, p. 2115-2127.
dc.identifier.citation	1812-5654
dc.identifier.citation	10.3923/jas.2012.2115.2127
dc.identifier.uri	http://hdl.handle.net/2117/16829
dc.language.iso	eng
dc.relation	http://scialert.net/abstract/?doi=jas.2012.2115.2127
dc.rights	Attribution-NonCommercial-NoDerivs 3.0 Spain
dc.rights	info:eu-repo/semantics/openAccess
dc.rights	http://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subject	Àrees temàtiques de la UPC::Física
dc.subject	Software refactoring
dc.subject	Parallel computers
dc.subject	Schrödinger equation
dc.subject	Programari--Refacció
dc.subject	Processament en paral·lel (Ordinadors)
dc.subject	Schrödinger, Equació de
dc.title	Software refactoring: solving the time-dependent Schrodinger equation via fast Fourier transforms and parallel programming
dc.type	info:eu-repo/semantics/publishedVersion
dc.type	info:eu-repo/semantics/article
dc.description.abstract	In this study a multiprocessor C++ message passing interface implementation of a new bit-reversal algorithm to numerically solve the time dependent Schrodinger equation using a spectral method based on Fourier transform was presented. The major issues of parallel computer performance were discussed in terms of efficiency; speed up, cost and fraction of the execution time that could be parallelized. The scalable performance to a very high number of processors was addressed as well as compared with ideal values of Amdahl’s Law when presenting the parallel performance of the new developed algorithms. The results showed that message passing interface was an optimal method of implementing a parallelized bit-reversal algorithm.

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