Abstract
This article reviews the performance of supercomputers. The increase in computational performance is also provided through parallel programming, the development of which is represented by a set of high-level programming languages, the emergence of new architectures and distributed and cluster systems. The article presents a numerical simulation of the calculation of the physical characteristics of the composites using the OpenMX package. At the same time, the use of parallel programming methods led to a significant increase in computing performance.
Highlights
Today in the field of a hardware development is reached the organization of independence of operation of the computers of different devices, there was a multilevel memory, were improved architecture of processors [1]
High-performance computing plays an important role in the field of scientific computing, allowing you to perform the solution of scientific problems faster and more qualitatively
This OS has an application for Computational Physics and Materials Modeling, such as OpenMX (Open source package for Material eXplorer) is a program package for nano-scale material simulations based on density functional theories (DFT), norm-conserving pseudopotentials and pseudo-atomic localized basis functions
Summary
Today in the field of a hardware development is reached the organization of independence of operation of the computers of different devices (the processor and devices of input-output), there was a multilevel memory, were improved architecture of processors (a superscalarity, pipelining, dynamic planning) [1]. Among the various classifications of computing systems, the Flynn classification is key, but the most perspective direction in increasing productivity is the organization of multiprocessing computing devices.The latest developments of supercomputers have improved processors, a large number of cores and an optimized architecture. The hardware of the supercomputer is equipped with the LINUX operating system, with support for parallel computing and HPC. This OS has an application for Computational Physics and Materials Modeling, such as OpenMX (Open source package for Material eXplorer) is a program package for nano-scale material simulations based on density functional theories (DFT), norm-conserving pseudopotentials and pseudo-atomic localized basis functions. Large-scale ab initio calculations on parallel computers, it is anticipated that OpenMX can be a useful and powerful tool for nano-scale material sciences in a wide variety of systems such as biomaterials, carbon nanotubes, magnetic materials, and nanoscale conductors [3]
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