"Organization of quantum chemical computations using the Firefly package in a heterogeneous grid environment on the basis of the BOINC platform"
Nikitina N.N., Ivashko E.E.

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: BOINC, Firefly, distributed computing, grid

Nikitina N.N.   e-mail: nikitina@krc.karelia.ru;   Ivashko E.E.   e-mail: ivashko@krc.karelia.ru