• A
  • A
  • A
  • АБВ
  • АБВ
  • АБВ
  • A
  • A
  • A
  • A
  • A
Обычная версия сайта
  • RU
  • EN
  • HSE University
  • Publications
  • Book chapter
  • Deploying Elbrus VLIW CPU Ecosystem for Materials Science Calculations: Performance and Problems.
  • RU
  • EN
Расширенный поиск
Высшая школа экономики
Национальный исследовательский университет
Priority areas
  • business informatics
  • economics
  • engineering science
  • humanitarian
  • IT and mathematics
  • law
  • management
  • mathematics
  • sociology
  • state and public administration
by year
  • 2028
  • 2027
  • 2026
  • 2025
  • 2024
  • 2023
  • 2022
  • 2021
  • 2020
  • 2019
  • 2018
  • 2017
  • 2016
  • 2015
  • 2014
  • 2013
  • 2012
  • 2011
  • 2010
  • 2009
  • 2008
  • 2007
  • 2006
  • 2005
  • 2004
  • 2003
  • 2002
  • 2001
  • 2000
  • 1999
  • 1998
  • 1997
  • 1996
  • 1995
  • 1994
  • 1993
  • 1992
  • 1991
  • 1990
  • 1989
  • 1988
  • 1987
  • 1986
  • 1985
  • 1984
  • 1983
  • 1982
  • 1981
  • 1980
  • 1979
  • 1978
  • 1977
  • 1976
  • 1975
  • 1974
  • 1973
  • 1972
  • 1971
  • 1970
  • 1969
  • 1968
  • 1967
  • 1966
  • 1965
  • 1964
  • 1963
  • 1958
  • More
Subject
News
September 4, 2026
Time to Showcase Your Research: Applications Are Now Open for Student Research Paper Competition 2026
Taking part in the Student Research Paper Competition (SRPC) gives you an opportunity to present your research to experts, receive an independent assessment, and determine the future direction of your work. The competition is open to students graduating in 2026 not only from HSE University but from universities in Russia and abroad. Papers may be submitted in Russian and English, and in some fields also in French, German, and Spanish.
September 4, 2026
‘Hedgehog Versus ‘Relatives: Researchers Measure How the Brain Responds to Unexpected Words During Natural Speech
Russian neurophysiologists, including researchers from HSE University, have demonstrated the feasibility of using event-related fields (ERFs) to study brain activity during natural speech perception. The researchers showed that this approach can be applied not only to individual words but also to continuous speech. Their findings indicate that words whose meanings differ significantly from the preceding context require longer processing times. The study also reveals that the brain processes function words in two stages: first, it identifies their grammatical role and then uses this information to predict the next word. The study has been published in Frontiers in Human Neuroscience.
August 25, 2026
Scientists Develop Algorithm for More Reliable Processors in Data Centres
Researchers from HSE MIEM and Samara University have developed the LRF-3D algorithm to automatically bypass idle nodes in three-dimensional networks-on-chip. Thanks to its hierarchical architecture, the algorithm outperforms existing solutions in both speed and path accuracy, improving processor reliability for use in data centres, supercomputers, and AI computing. The source code and test results are publicly available.

 

Have you spotted a typo?
Highlight it, click Ctrl+Enter and send us a message. Thank you for your help!

Publications
  • Books
  • Articles
  • Chapters of books
  • Working papers
  • Report a publication
  • Research at HSE

?

Deploying Elbrus VLIW CPU Ecosystem for Materials Science Calculations: Performance and Problems.

P. 543–553.
Stegailov V., Timofeev A.

Modern Elbrus-4S and Elbrus-8S processors show floating point performance comparable to the popular Intel processors in the field of high-performance computing. Tasks oriented to take advantage of the VLIW architecture show even greater efficiency on Elbrus processors. In this paper the efficiency of the most popular materials science codes in the field of classical molecular dynamics and quantum-mechanical calculations is considered. A comparative analysis of the performance of these codes on Elbrus processor and other modern processors is carried out.

Language: English
Full text
DOI
Text on another site
Keywords: LAMMPSVASPElbrus
Publication based on the results of:
­­­Atomistic multiscale modeling of properties and processes in materials and living systems; analysis of efficiency of new supercomputer technologies (2018)

In book

Supercomputing. RuSCDays 2018. Communications in Computer and Information Science, vol 965. Springer, Cham
Springer, 2019.
Similar publications
Towards performance analysis of GPU-aware MPI over Angara interconnect
Ismagilov T., Mukosey A., Smirnov F. et al., International Journal of High Performance Computing Applications 2026 Vol. 40 No. 2 P. 240–253
One of the most important aspects of supercomputer development in the post-Moore era is the interconnect technologies that allow one to unite a multitude of processing elements into a well-synchronized computing system. Novel types of supercomputer interconnect require careful benchmarking and compliance with the requirements of modern hardware trends. GPU-based heterogeneous computing is one of ...
Added: May 7, 2026
GPU-based molecular dynamics of fluid flows: Reaching for turbulence
Pavlov D., Galigerov V., Kolotinskii D. et al., International Journal of High Performance Computing Applications 2024 Vol. 38 No. 1 P. 34–49
Fluid dynamics is a ubiquitous problem that arises in different branches of science and industry. It is usually tackled by numerically solving differential equations on a finite grid. Molecular dynamics was not a feasible tool to approach fluid dynamics until very recently due to its disproportional computational complexity. In this paper we propose a new ...
Added: July 18, 2023
Research on monolayer h-BN cell strain effect vacancy stability
Serzhantova M. V., Titov M. A., Obvertkin I. V., Journal of Physics: Conference Series 2019 No. 1353 Article 012020
This article presents a research on Hexagonal Boron Nitride (h-BN) monolayer cell strain effect 2 % and 4 %. Structure of h-BN with nitrogen vacancy, with boron vacancy and with divacancy was considered for this. The calculations were carried out within framework of the density functional formalism with gradient corrections and using the VASP package. ...
Added: February 20, 2023
GPU-accelerated molecular dynamics: State-of-art software performance and porting from Nvidia CUDA to AMD HIP
Kondratyuk N., Nikolskiy V., Pavlov D. et al., International Journal of High Performance Computing Applications 2021 Vol. 35 No. 4 P. 312–324
Classical molecular dynamics (MD) calculations represent a significant part of the utilization time of high-performance computing systems. As usual, the efficiency of such calculations is based on an interplay of software and hardware that are nowadays moving to hybrid GPU-based technologies. Several well-developed open-source MD codes focused on GPUs differ both in their data management ...
Added: June 25, 2021
GPU Acceleration of Four-Site Water Models in LAMMPS
Nikolskiy V., Stegailov V., , in: Parallel Computing: Technology Trends.: IOS Press, 2020. P. 565–573.
In this work, a new algorithm was developed for calculating the fourpoint water model TIP4P on graphics accelerators. It was designed as a part of the flexible molecular dynamics modeling package LAMMPS in the library module “GPU”. In this paper we describe two approaches to implement the TIP4P model for GPU: 1) to divide the ...
Added: March 27, 2020
Performance and Scalability of Materials Science and Machine Learning Codes on the State-of-Art Hybrid Supercomputer Architecture
Kondratyuk N., Smirnov G., Agarkov A. et al., , in: Supercomputing. RuSCDays 2019. Communications in Computer and Information ScienceVol. 1129: Supercomputing. RuSCDays 2019.: Springer, 2019. P. 597–609.
8 of top 10 supercomputers of Top500 list published in November 2018 consist of computing nodes with hybrid architectures that require special programming techniques. 5 systems among these are based on Nvidia GPUs. In this paper, we consider the benchmark results of the brand new hybrid supercomputer installed in March 2019 in NRU HSE. This ...
Added: December 11, 2019
Performance of Elbrus Processors for Computational Materials Science Codes and Fast Fourier Transform
Stegailov V., Дергунов Д. О., Timofeev A., , in: Communications in Computer and Information ScienceVol. 910: Parallel Computational Technologies.: Springer, 2018. P. 92–103.
Modern Elbrus-4S and Elbrus-8S processors provide a level of floating-point performance close to that of widespread x86_64 CPUs that are predominantly used in high-performance computing (HPC). The uniqueness of the software ecosystem of Elbrus processors requires special attention in the case of their deployment for execution of mainstream computational codes. In this paper, we consider ...
Added: March 10, 2019
Deploying Elbrus VLIW CPU ecosystem for materials science calculations: performance and problems
Stegailov V., Timofeev A., , in: Суперкомпьютерные дни в России: Труды международной конференции (24-25 сентября 2018 г., г. Москва).: М.: МГУ, 2018. P. 149–159.
Modern Elbrus-4S and Elbrus-8S processors show floating point performance comparable to the popular Intel processors in the field of high-performance computing. Tasks oriented to take advantage of the VLIW architecture show even greater efficiency on Elbrus processors. In this paper the efficiency of the most popular materials science codes in the field of classical molecular ...
Added: October 31, 2018
Efficiency Analysis of Intel and AMD x86_64 Architectures for Ab Initio Calculations: A Case Study of VASP
Stegailov V., Vecher V., , in: Communications in Computer and Information ScienceBook 793: Supercomputing.: Switzerland: Springer, 2017. P. 430–441.
Nowadays, the wide spectrum of Intel Xeon processors is available. The new Zen CPU architecture developed by AMD has extended the number of options for x86_64 HPC hardware. This large number of options makes the optimal CPU choice for HPC systems not a straightforward procedure. Such a co-design procedure should follow the requests from the ...
Added: November 29, 2017
Performance of MD-Algorithms on hybrid systems-on-chip Nvidia Tegra K1 & X1
Nikolskiy V., Vecher V., Stegailov V., , in: Supercomputing. RuSCDays 2016. Communications in Computer and Information Science. Revised Selected Papers.Vol. 687.: Springer, 2016. P. 199–211.
In this paper we consider the efficiency of hybrid systemson-a-chip for high-performance calculations. Firstly, we build Roofline performance models for the systems considered using Empirical Roofline Toolkit and compare the results with the theoretical estimates. Secondly, we use LAMMPS as an example of the molecular dynamic package to demonstrate its performance and efficiency in various ...
Added: May 31, 2017
GPU-accelerated molecular dynamics: Energy consumption and performance
Vecher V., Nikolskiy V., Stegailov V., , in: Supercomputing. RuSCDays 2016. Communications in Computer and Information Science. Revised Selected Papers.Vol. 687.: Springer, 2016. P. 78–90.
Energy consumption of hybrid systems is an actual problem of modern high-performance computing. The trade-off between power consumption and performance becomes more and more prominent. In this paper, we discuss the energy and power efficiency of two modern hybrid minicomputers Jetson TK1 and TX1. We use the Empirical Roofline Tool to obtain peak performance data ...
Added: May 31, 2017
  • About
  • About
  • Key Figures & Facts
  • Sustainability at HSE University
  • Faculties & Departments
  • International Partnerships
  • Faculty & Staff
  • HSE Buildings
  • HSE University for Persons with Disabilities
  • Public Enquiries
  • Studies
  • Admissions
  • Programme Catalogue
  • Undergraduate
  • Graduate
  • Exchange Programmes
  • Summer University
  • Summer Schools
  • Semester in Moscow
  • Business Internship
  • Research
  • International Laboratories
  • Research Centres
  • Research Projects
  • Monitoring Studies
  • Conferences & Seminars
  • Academic Jobs
  • Yasin (April) International Academic Conference on Economic and Social Development
  • Media & Resources
  • Publications by staff
  • HSE Journals
  • Publishing House
  • iq.hse.ru: commentary by HSE experts
  • Library
  • Economic & Social Data Archive
  • Video
  • HSE Repository of Socio-Economic Information
  • HSE1993–2026
  • Contacts
  • Copyright
  • Privacy Policy
  • Site Map
Edit