%0 Journal Article
%T Angara interconnect makes GPU
%A Alexander Semenov
%A Alexei Simonov
%A Alexey Timofeev
%A Dmitry Makagon
%A Ekaterina Dlinnova
%A Grigory Smirnov
%A Mikhail Khalilov
%A Nikolay Kondratyuk
%A Timur Ismagilov
%A Vladimir Stegailov
%J The International Journal of High Performance Computing Applications
%@ 1741-2846
%D 2019
%R 10.1177/1094342019826667
%X 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
%K HPC interconnect
%K scalability
%K efficiency
%K GPU-accelerated software
%K atomistic simulations
%U https://journals.sagepub.com/doi/full/10.1177/1094342019826667