Parallel molecular dynamics for silicon and silicon carbide: MPI, CUDA and CUDA-MPI implementation

In this paper, the creation of a hybrid computer code based on the joint use of CUDA and MPI technology for silicon Si and silicon carbide SiC is considered in the framework of the molecular dynamics method. The efficiency of the created code is compared both with a program that uses only the MPI in...

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Main Authors: Utkin, A. V., Fomin, V. M., Golovneva, E. I.
Format: Conference Proceeding
Language:English
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Hybrid computers
Molecular dynamics
Silicon carbide
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Fomin, V. M.
Golovneva, E. I.
description In this paper, the creation of a hybrid computer code based on the joint use of CUDA and MPI technology for silicon Si and silicon carbide SiC is considered in the framework of the molecular dynamics method. The efficiency of the created code is compared both with a program that uses only the MPI interface, and with a CUDA program designed to work only with one GPU.
doi_str_mv 10.1063/5.0028297
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source American Institute of Physics:Jisc Collections:Transitional Journals Agreement 2021-23 (Reading list)
subjects Hybrid computers
Molecular dynamics
Silicon carbide
title Parallel molecular dynamics for silicon and silicon carbide: MPI, CUDA and CUDA-MPI implementation
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