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Results obtained during practical training session on MPI during high perfomance computing summer school MIPT-2010 are discussed. MPI technology were one of technologies proposed to participants for realization of project. 3D version of Conway’s Game of Life was proposed as a project. Algorithms used in the development, theoretical and practical assessment of their scalability is analyzed.

The method of modelling of a compact bone tissue microstructure is presented. The modelling sample is considered as set of the structural elements containing reinforcing element – osteon and a matrix. The form of structural elements is defined by distances to next osteons and directions of next osteons arrangement. Calculation of the stress and strain state of the modelling sample is carried out at tension in program complex ANSYS. Results of calculation have shown, that haversian canals are stress concentrators.

The computation model of the interlayer magnetostatic energy and its contribution into the total magnetic energy of multilayer films has been proposed. The model has been used for the energy computation of three-layer Co/Cu/Co structure. The comparison of obtained theoretical results with experimental data has been allowed made an estimation of magnetostatic interaction influence on a value and a character of saturation field behavior for such structures.

The computer code NINE (Newtonian Iteration for Nonlinear Equation) for numerical solution of the boundary problems for nonlinear differential equations on the basis of continuous analogue of the Newton method (CANM) is presented. Numerov’s finite-difference appproximation is applied to provide the fourth accuracy order with respect to the discretization stepsize. Algorithms of calculating the Newtonian iterative parameter are discussed. A convergence of iteration process in dependence on choice of the iteration parameter has been studied. Results of numerical investigation of the particle-like solutions of the scalar field equation are given.

The problems of radiative-conductive heat transfer in the scattering layer are considered. They consist in finding the temperature profile and improving the heat transfer from boundaries. For their solution the Monte Carlo method is used. The different approaches of parallelization of proposed algorithm are analyzed.

The paper presents a new dense material modeling method based on spherepolyhedra packing algorithm, describes mathematical model of spherepolyhedra and discuss the results of computation experiments on different spherepolyhedra packs. The results of experiments show convergence of proposed method. Experiments include investigations of spherepolyhedra packs with different shapes, polydisperse and oriented structures. Presented method would be applied to virtual design of dense materials composed of non-spherical particles.

This article is dedicated to numerical algorithms for solving problems of ignition and unsteady combustion of gunpowder on a uniform computational grid, and a grid with concentration near the surface of the combustion at a constant and adapts the depth under the heated layer of computational domain. The analysis of efficiency of a numerical grid.

GIS INTEGRO is the geo-information software system forming the basis for the integrated interpretation of geophysical data in researching a deep structure of Earth. GIS INTEGRO combines a variety of computational and analytical applications for the solution of geological and geophysical problems. It includes various interfaces that allow you to change the form of representation of data (raster, vector, regular and irregular network of observations), the conversion unit of map projections, application blocks, including block integrated data analysis and decision prognostic and diagnostic tasks.

The methodological approach is based on integration and integrated analysis of geophysical data on regional profiles, geophysical potential fields and additional geological information on the study area. Analytical support includes packages transformations, filtering, statistical processing, calculation, finding of lineaments, solving direct and inverse tasks, integration of geographic information.

Technology and software and analytical support was tested in solving problems tectonic zoning in scale 1:200000, 1:1000000 in Yakutia, Kazakhstan, Rostov region, studying the deep structure of regional profiles 1:S, 1-SC, 2-SAT, 3-SAT and 2-DV, oil and gas forecast in the regions of Eastern Siberia, Brazil.

The article describes two possible approaches of parallel calculations for data processing 2D or 3D nets in the field of geophysical research. As an example presented realization in the environment of GRID of the application software ZondGeoStat (statistical sensing), which create 3D net model on the basis of data 2d net. The experience has demonstrated the high efficiency of the use of environment of GRID during realization of calculations in field of geophysical researches.

This article is dedicated to the construction of the approximate mathematical model of the nonlinear elasticity theory for plane strain state. The third order effects method applied to symbolic computing. There three boundary value problems for the first, the second and the third order effects has been obtained within this method, which gets ability to use well-elaborated methods of the linear elasticity theory for the solution of specific problems. This method can be applied for analytical solving of plane problems of nonlinear elasticity theory of stress concentration around holes in mathematical package Maple. Considered example of the triangular hole. The influence of external loads on the stress concentration factor.

A vector-matrix approach to the theoretical design of metabolic pathways converting chemical compounds, viz., preset substrates, into desirable products is described. It is a mathematical basis for computer–aided generation of alternative biochemical reaction sets executing the given substrate–product conversion. The pathways are retrieved from the used database of biochemical reactions and utilize the reaction stoichiometry and restrictions based on the irreversibility of a part of them. Particular attention is paid to the analysis of restriction interrelations. It is shown that the number of restrictions can be notably reduced due to the existence of families of parallel restricting planes in the space of reaction flows. Coinciding planes of contradirectional restrictions result in the existence of fixed reaction flow values. The problem of exclusion of so called futile cycles is also considered. Utilization of these factors allows essential lowering of the problem complexity and necessary computational resources. An example of alternative biochemical pathway computation for conversion of glucose and glycerol into succinic acid is given. It is found that for a preset “substrate–product” pair many pathways have the same high-energy bond balance.