Analysis of parallel molecular dynamics for MPI, CUDA and CUDA-MPI implementation

MaRDI QIDQ5004720zbMATH OpenFDO

Authors Andreĭ V. Utkin

Publication date 3 August 2021

Full work available at URL http://www.montis.pmf.ac.me/vol39/8.pdf

zbMATH Keywords

CUDAmolecular dynamicsMPIparallel computations

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Numerical algorithms for specific classes of architectures (65Y10) Complexity and performance of numerical algorithms (65Y20) Applications to the sciences (65Z05)

Recommendations

• scientific article; zbMATH DE number 434564
• A novel mode and its verification of parallel molecular dynamics simulation with the coupling of GPU and CPU
• Parallelization and optimization of 4{D} binary mixture Monte Carlo simulations using Open MPI and CUDA
• scientific article; zbMATH DE number 2086785
• Parallel molecular dynamics simulation; Implementation of PVM for a lipid membrane

Cited in

(3)

• Design and analysis of a parallel molecular dynamics application
• Molecular-dynamics simulations using spatial decomposition and task-based parallelism
• Molecular-dynamic Investigation of Silicon Carbide Fracture Under External Mechanical Loads

This page was built for publication: Analysis of parallel molecular dynamics for MPI, CUDA and CUDA-MPI implementation

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q5004720)