| Autor: |
Stegailov, Vladimir, Dlinnova, Ekaterina, Ismagilov, Timur, Khalilov, Mikhail, Kondratyuk, Nikolay, Makagon, Dmitry, Semenov, Alexander, Simonov, Alexei, Smirnov, Grigory, Timofeev, Alexey, Mencagli, Gabriele, França, Felipe MG, Bentes, Cristiana Barbosa, Justen Marzulo, Leandro Augusto, Lima Pilla, Mauricio, Wyrzykowski, Roman, Deelman, Ewa |
| Předmět: |
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| Zdroj: |
International Journal of High Performance Computing Applications; May2019, Vol. 33 Issue 3, p507-521, 15p |
| Abstrakt: |
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. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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