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Angara interconnect makes GPU-based Desmos supercomputer an efficient tool for molecular dynamics calculationsстатья
Информация о цитировании статьи получена из
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 15 февраля 2024 г.
- Авторы: Stegailov Vladimir, Dlinnova Ekaterina, Ismagilov Timur, Khalilov Mikhail, Kondratyuk Nikolay, Makagon Dmitry, Semenov Alexander, Simonov Alexei, Smirnov Grigory, Timofeev Alexey
- Журнал: International Journal of High Performance Computing Applications
- Том: 33
- Номер: 3
- Год издания: 2019
- Издательство: SAGE Publications
- Местоположение издательства: United States
- Первая страница: 507
- Последняя страница: 521
- DOI: 10.1177/1094342019826667
- Аннотация: In this article, we describe the Desmos supercomputer that consists of 32 hybrid nodes connected by a low-latency high-bandwidth Angara interconnect with torus topology. This supercomputer is aimed at cost-effective classical molecular dynamics calculations. Desmos serves as a test bed for the Angara interconnect that supports 3-D and 4-D torus network topologies and verifies its ability to unite massively parallel programming systems speeding-up effectively message-passing interface (MPI)-based applications. We describe the Angara interconnect presenting typical MPI benchmarks. Desmos benchmarks results for GROMACS, LAMMPS, VASP and CP2K are compared with the data for other high-performance computing (HPC) systems. Also, we consider the job scheduling statistics for several months of Desmos deployment.
- Добавил в систему: Семенов Александр Сергеевич