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Num. Meth. Prog., 2012, Volume 13, Issue 1, Pages 8–12 (Mi vmp64)  

This article is cited in 1 scientific paper (total in 1 paper)

Программирование

Organization of quantum chemical computations using the Firefly package in a heterogeneous grid environment on the basis of the BOINC platform

E. E. Ivashko, N. N. Nikitina

Institute of Applied Mathematical Research, Karelian Research Centre, RAS, Petrozavodsk

Abstract: An experience of carrying a large number of computational experiments on the basis of a heterogeneous grid environment managed by the BOINC platform is considered. In order to perform the quantum chemical computations, the Firefly package is used. This package is adapted for the execution in a distributed environment with the use of the “wrapper” application named GenWrapper. The registration of computational tasks is carried through a special web-based interface of access to the grid segment.

Keywords: distributed computing; grid.

Full text: PDF file (292 kB)
UDC: 004.75
Received: 19.01.2012

Citation: E. E. Ivashko, N. N. Nikitina, “Organization of quantum chemical computations using the Firefly package in a heterogeneous grid environment on the basis of the BOINC platform”, Num. Meth. Prog., 13:1 (2012), 8–12

Citation in format AMSBIB
\Bibitem{IvaNik12}
\by E.~E.~Ivashko, N. N. Nikitina
\paper Organization of quantum chemical computations using the Firefly package in a heterogeneous grid environment on the basis of the BOINC platform
\jour Num. Meth. Prog.
\yr 2012
\vol 13
\issue 1
\pages 8--12
\mathnet{http://mi.mathnet.ru/vmp64}


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    This publication is cited in the following articles:
    1. I. A. Chernov, E. E. Ivashko, N. N. Nikitina, I. E. Gabis, “Chislennaya identifikatsiya modeli degidrirovaniya v grid-sisteme na baze BOINC”, Kompyuternye issledovaniya i modelirovanie, 5:1 (2013), 37–45  mathnet  crossref
  • Numerical methods and programming
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