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The paper presents a numerical solution to the heat wave motion problem for a degenerate second-order nonlinear parabolic equation with a source term. The nonlinearity is conditioned by the power dependence of the heat conduction coefficient on temperature. The problem for the case of two spatial variables is considered with the boundary condition specifying the heat wave motion law. A new solution algorithm based on an expansion in radial basis functions and the boundary element method is proposed. The solution is constructed stepwise in time with finite difference time approximation. At each time step, a boundary value problem for the Poisson equation corresponding to the original equation at a fixed time is solved. The solution to this problem is constructed iteratively as the sum of a particular solution to the nonhomogeneous equation and a solution to the corresponding homogeneous equation satisfying the boundary conditions. The homogeneous equation is solved by the boundary element method. The particular solution is sought by the collocation method using inhomogeneity expansion in radial basis functions. The calculation algorithm is optimized by parallelizing the computations. The algorithm is implemented as a program written in the C++ language. The parallel computations are organized by using the OpenCL standard, and this allows one to run the same parallel code either on multi-core CPUs or on graphic CPUs. Test cases are solved to evaluate the effectiveness of the proposed solution method and the correctness of the developed computational technique. The calculation results are compared with known exact solutions, as well as with the results we obtained earlier. The accuracy of the solutions and the calculation time are estimated. The effectiveness of using various systems of radial basis functions to solve the problems under study is analyzed. The most suitable system of functions is selected. The implemented complex computational experiment shows higher calculation accuracy of the proposed new algorithm than that of the previously developed one.

Difference of software development for parallel computing technology from sequential programming is dicussed. Arguements for introduction of new phases into technology of software engineering are given. These phases are: decomposition of algorithms, assignment of jobs to performers, conducting and mapping of logical to physical performers. Issues of performance evaluation of algorithms are briefly discussed. Decomposition of algorithms and programs into parts that can be executed in parallel is dicussed.

We developed an algorithm for fast simulation of VLSI CMOS (Very Large Scale Integration with Complementary Metal-Oxide-Semiconductors) with an accuracy control. The algorithm provides an ability of parallel numerical experiments in multiprocessor computational environment. There is computation speed up by means of block-matrix and structural (DCCC) decompositions application. A feature of the approach is both in a choice of moments and ways of parameters synchronization and application of multi-rate integration methods. Due to this fact we have ability to estimate and control error of given characteristics.

Modification of the lattice Boltzmann method for computation of viscous incompressible fluid flows is proposed. The method is based on the splitting of differential operator in Navier–Stokes equation and on the idea of instantaneous Maxwellisation of distribution function. The method is based on explicit schemes and didn’t have any problems with parallelization of computations. The stability of the method is demonstrated using von Neumann method in a wide range of input parameter values. The efficiency of the method proposed is demonstrated on the solution of the problem of 2D lid-driven cavity flow.

Equations of motion in Newtonian and Hamiltonian forms are used for classical molecular dynamics simulation of particle system time evolution. When Newton equations of motion are used for finding of particle coordinates and velocities in $N$-particle system it takes to solve $3N$ ordinary differential equations of second order at every time step. Traditionally numerical schemes of Verlet method are used for solving Newtonian equations of motion of molecular dynamics. A step of integration is necessary to decrease for Verlet numerical schemes steadiness conservation on sufficiently large time intervals. It leads to a significant increase of the volume of calculations. Numerical schemes of Verlet method with Hamiltonian conservation control (the energy of the system) at every time moment are used in the most software packages of molecular dynamics for numerical integration of equations of motion. It can be used two complement each other approaches to decrease of computational time in molecular dynamics calculations. The first of these approaches is based on enhancement and software optimization of existing software packages of molecular dynamics by using of vectorization, parallelization and special processor construction. The second one is based on the elaboration of efficient methods for numerical integration for equations of motion. A procedure for constructing of explicit, implicit and symmetric symplectic numerical schemes with given approximation accuracy in relation to integration step for solving of molecular dynamic equations of motion in Hamiltonian form is proposed in this work. The approach for construction of proposed in this work procedure is based on the following points: Hamiltonian formulation of equations of motion; usage of Taylor expansion of exact solution; usage of generating functions, for geometrical properties of exact solution conservation, in derivation of numerical schemes. Numerical experiments show that obtained in this work symmetric symplectic third-order accuracy scheme conserves basic properties of the exact solution in the approximate solution. It is more stable for approximation step and conserves Hamiltonian of the system with more accuracy at a large integration interval then second order Verlet numerical schemes.

This work is dedicated to application of bicompact schemes to numerical solution of evolutionary hyperbolic equations. The main advantage of this class of schemes lies in combination of two beneficial properties: the first one is spatial approximation of high even order on a stencil that always occupies only one mesh cell; the second one is spectral resolution which is better in comparison to classic compact finite-difference schemes of the same order of spatial approximation. One feature of bicompact schemes is considered: their spatial approximation is rigidly tied to Cartesian meshes (with parallelepiped-shaped cells in three-dimensional case). This feature makes rather challenging any application of bicompact schemes to problems with complex computational domains as treated in the framework of unstructured meshes. This problem is proposed to be solved using well-known methods for treating complex-shaped boundaries and their corresponding boundary conditions on Cartesian meshes. The generalization of bicompact schemes on problems in geometrically complex domains is made in case of gas dynamics problems and Euler equations. The free boundary method is chosen as a particular tool to introduce the influence of arbitrary-shaped solid boundaries on gas flows on Cartesian meshes. A brief description of this method is given, its governing equations are written down. Bicompact schemes of fourth order of approximation in space with locally one-dimensional splitting are constructed for equations of the free boundary method. Its compensation flux is discretized with second order of accuracy. Time stepping in the obtained schemes is done with the implicit Euler method and the third order accurate $L$-stable stiffly accurate three-stage singly diagonally implicit Runge–Kutta method. The designed bicompact schemes are tested on three two-dimensional problems: stationary supersonic flows with Mach number three past one circular cylinder and past three circular cylinders; the non-stationary interaction of planar shock wave with a circular cylinder in a channel with planar parallel walls. The obtained results are in a good agreement with other works: influence of solid bodies on gas flows is physically correct, pressure in control points on solid surfaces is calculated with the accuracy appropriate to the chosen mesh resolution and level of numerical dissipation.

The article presents the results of numerical modeling of the vortex spatial non-stationary motion of the medium arising near the lateral and bottom surfaces of the descent module during its movement in the atmosphere of Mars. The numerical study was performed for the high-speed streamline regime at various angles of attack. Mathematical modeling was carried out on the basis of the Navier – Stokes model and the model of equilibrium chemical reactions for the Martian atmosphere gas. The simulation results showed that under the considered conditions of the descent module motion, a non-stationary flow with a pronounced vortex character is realized near its lateral and bottom surfaces. Numerical calculations indicate that, depending on the angle of attack, the nonstationarity and vortex nature of the flow can manifest itself both on the entire lateral and bottom surfaces of the module, and, partially, on their leeward side. For various angles of attack, pictures of the vortex structure of the flow near the surface of the descent vehicle and in its near wake are presented, as well as pictures of the gas-dynamic parameters fields. The non-stationary nature of the flow is confirmed by the presented time dependences of the gas-dynamic parameters of the flow at various points on the module surface. The carried out parametric calculations made it possible to determine the dependence of the aerodynamic characteristics of the descent module on the angle of attack. Mathematical modeling is carried out on the basis of the conservative numerical method of fluxes, which is a finitevolume method based on a finite-difference writing of the conservation laws of additive characteristics of the medium using «upwind» approximations of stream variables. To simulate the complex vortex structure of the flow over descent module, the nonuniform computational grids are used, including up to 30 million finite volumes with exponential thickening to the surface, which made it possible to reveal small-scale vortex formations. Numerical investigations were carried out on the basis of the developed software package based on parallel algorithms of the used numerical method and implemented on modern multiprocessor computer systems. The results of numerical simulation presented in the article were obtained using up to two thousand computing cores of a multiprocessor complex.

This article proposes a numeric method of solution of quasilinear parabolic equations, based on the flux approximation, describes the implementation of the method on a rectangular grid and presents numerical results. Unlike methods used in common practice, this method uses an approximation of flows in non-dilated template. For each iteration of the Newton method it is possible to solve a linear problem using the method of upper relaxation (SOR). Compared with the methods of flux sweeping, the considered method has greater potential for use in modern parallel computing system.

In this paper, we propose a new software for simulation of fluid-structure interaction. The software is designed for solving coupled problems and provides an interface for synchronization synchronisation and data exchange between existing fluid and structural solvers. Algorithms of coupling solvers and mesh deformation are discussed. The software can be used on hybrid CPU/GPU platforms.

The approach to parallel implementation of low-frequency PIC-algorithms is proposed, taking into account peculiarity of the nonradiative (Darwin) field approximation. Its advantages and specifics of adaptation to the base computer types for high performance calculations are discussed.