APPLICATION OF DESKTOP GRID TECHNOLOGY IN MATERIAL SCIENCE

O Gatsenko and O Baskova and B Bandalak and V Tatarenko and Y Gordienko, DISTRIBUTED COMPUTING AND GRID-TECHNOLOGIES IN SCIENCE AND EDUCATION, 123-129 (2012).

The global distributed computing infrastructure (DCI) on the basis of BOINC and Desktop Grids (DGs) technologies for high-performance distributed computing was used for porting the sequential molecular dynamics (MD) application to its parallel version for DCI with DGs and Service Grids (SGs) connected by EDGeS-bridge. It is shown that the mechanical characteristics evaluated on the basis of MD simulations using LAMMPS package in the DG-SG DCI are in satisfactory agreement with the experimental data and allowed to discover the new aspects of deformation and fracture mechanisms in nanomaterials. Porting MD- applications to DG-SG DCI is easy and efficient, if BOINC SZTAKI DC-API and SG-DG EDGeS Bridge are used; parameter decomposition and sweeping parallelism are possible; message passing is localized at worker side.

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