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

dc.contributor
Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear
dc.contributor
Universitat Politècnica de Catalunya. SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity
dc.contributor.author
Khwaldeh, Ali
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Tahat, Amani
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Martí Rabassa, Jordi
dc.date.issued
2012-10-30
dc.identifier
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
1812-5654
dc.identifier
https://hdl.handle.net/2117/16829
dc.identifier
10.3923/jas.2012.2115.2127
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.
dc.description.abstract
Postprint (published version)
dc.format
13 p.
dc.format
application/pdf
dc.language
eng
dc.relation
http://scialert.net/abstract/?doi=jas.2012.2115.2127
dc.rights
http://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.rights
Restricted access - publisher's policy
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Attribution-NonCommercial-NoDerivs 3.0 Spain
dc.subject
Àrees temàtiques de la UPC::Física
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Software refactoring
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Parallel computers
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Schrödinger equation
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Programari--Refacció
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Processament en paral·lel (Ordinadors)
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Schrödinger, Equació de
dc.title
Software refactoring: solving the time-dependent Schrodinger equation via fast Fourier transforms and parallel programming
dc.type
Article


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