Molecular-dynamics simulations using spatial decomposition and task-based parallelism

DOI10.1007/978-3-319-30379-6_13MaRDI QIDQ2958760zbMATH OpenOpenAlexFDO

Authors Chris M. Mangiardi, Ralf Meyer

Publication date 3 February 2017

Published in Mathematical and Computational Approaches in Advancing Modern Science and Engineering (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-3-319-30379-6_13

zbMATH Keywords

parallelizationmessage passingmolecular-dynamics simulationscell-task methodspatial decomposition method

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Multigrid methods; domain decomposition for boundary value problems involving PDEs (65N55) Numerical algorithms for specific classes of architectures (65Y10)

Recommendations

• An efficient parallel implementation of the smooth particle mesh Ewald method for molecular dynamics simulations
• Design and analysis of a parallel molecular dynamics application
• Multibillion-atom molecular dynamics simulation: design considerations for vector-parallel processing
• scientific article; zbMATH DE number 1948456
• Analysis of parallel molecular dynamics for MPI, CUDA and CUDA-MPI implementation

Cites work

• scientific article; zbMATH DE number 46777 (Why is no real title available?)
• scientific article; zbMATH DE number 1082719 (Why is no real title available?)
• Fast parallel algorithms for short-range molecular dynamics

Cited in

(7)

• scientific article; zbMATH DE number 1225034 (Why is no real title available?)
• Parallel implementation of isothermal and isoenergetic dissipative particle dynamics using Shardlow-like splitting algorithms
• NWChem: Exploiting parallelism in molecular simulations
• Acceleration of molecular mechanic simulation by parallelization and fast multipole techniques
• Design and analysis of a parallel molecular dynamics application
• scientific article; zbMATH DE number 1948456 (Why is no real title available?)
• Parallel discrete molecular dynamics simulation with speculation and in-order commitment

This page was built for publication: Molecular-dynamics simulations using spatial decomposition and task-based parallelism

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2958760)