Alexander Moskovsky

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The paper is dedicated to an open T-system (OpenTS) — a programming system that supports automatic parallelization of computations for high-performance and distributed applications. In this paper, we describe the system architecture and input programming language as well as system's distinctive features. The paper focuses on the achievements of the last two(More)
We developed molecular models describing the thermally initiated motion of nanocars, nanosized vehicles composed of two to four spherical fullerene wheels chemically coupled to a planar chassis, on a metal surface. The simulations were aimed at reproducing qualitative features of the experimentally observed migration of nanocars over gold crystals as(More)
Methodical problems of coarse-grained-type molecular dynamics, namely, rigid-body molecular dynamics (RB MD), are studied by investigating the dynamics of nanosized molecular vehicles called nanocars that move on gold and silver surfaces. Specifically, we analyzed the role of thermostats and the effects of temperature, couplings, and correlations between(More)
In this paper, we analyze energy consumption characteristics of calculation runs with different implementations of the fundamental quantum chemistry method called Hartree-Fock in the popular quantum chemistry package GAMESS. The Hartree-Fock algorithms vary in how electron repulsion integrals are recomputed or stored in memory or disk. Based on our results,(More)
Energy efficiency is an important aspect of high performance computing systems design, as the power consumption grows. Free cooling is a widespread technique to lower energy consumption of the cooling subsystem, usually requires expensive equipment to be installed. The standard chilled water temperature is 7 °C may be attained large part of the year(More)
Modern OpenMP threading techniques are used to convert the MPI-only Hartree-Fock code in the GAMESS program to a hybrid MPI/OpenMP algorithm. Two separate implementations that di‚er by the sharing or replication of key data structures among threads are considered, density and Fock matrices. All implementations are benchmarked on a super-computer of 3,000(More)
This poster presents an approach to distributed seismic data processing using Seismic Un*x Software and the Active Storage system based on TSim C++ template library and the Lustre file system. Active Storage concept implies the use of distributed system architecture, where each node has processing and storage capabilities. Data are distributed accross these(More)