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Num. Meth. Prog., 2010, Volume 11, Issue 1, Pages 42–49 (Mi vmp338)  

Программирование

GRID technologies in computing chemistry

V. M. Volokhov, D. A. Varlamov, A. V. Pivushkov, G. A. Pokatovich, N. F. Surkov

Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow region

Abstract: The main variants of GRID technology applications in the field of computing chemistry are considered. The main achievements of the authors in usage of similar technologies on the basis of the GRID resource site at the Institute of Problems of Chemical Physics (Russian Academy of Sciences) are discussed. The main types of the problems, the used technologies, and the main solution techniques in distributed environments, including the development of applied program interfaces of various level to start in the distributed computing environments, methods of creation and start of “bunches” of independent tasks on the distributed resources, creations of user's WWW interfaces, methods of dynamic creation of the calculation's environment, etc. are described.

Keywords: distributed computing; quantum and computational chemistry; GRID.

Full text: PDF file (370 kB)
UDC: 004.272.2+004.75+544.18

Citation: V. M. Volokhov, D. A. Varlamov, A. V. Pivushkov, G. A. Pokatovich, N. F. Surkov, “GRID technologies in computing chemistry”, Num. Meth. Prog., 11:1 (2010), 42–49

Citation in format AMSBIB
\Bibitem{VolVarPiv10}
\by V.~M.~Volokhov, D.~A.~Varlamov, A.~V.~Pivushkov, G.~A.~Pokatovich, N.~F.~Surkov
\paper GRID technologies in computing chemistry
\jour Num. Meth. Prog.
\yr 2010
\vol 11
\issue 1
\pages 42--49
\mathnet{http://mi.mathnet.ru/vmp338}


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