Interconnection networks for parallel molecular dynamics simulation based on Hamiltonian cubic symmetric topology

DOI10.1007/S10910-008-9412-5MaRDI QIDQ1029754zbMATH OpenOpenAlexFDO

Authors Klavdija Kutnar, Urban Borštnik, Dragan Marušič, Dušanka Janežič

Publication date 13 July 2009

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-008-9412-5

zbMATH Keywords

interconnection networkscommunication schedulingcubic symmetric graphs

Mathematics Subject Classification ID

Applications of graph theory (05C90) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cites work

• scientific article; zbMATH DE number 3873360 (Why is no real title available?)
• scientific article; zbMATH DE number 1750091 (Why is no real title available?)
• scientific article; zbMATH DE number 3445271 (Why is no real title available?)
• scientific article; zbMATH DE number 3236772 (Why is no real title available?)
• A canonical representation of trivalent hamiltonian graphs
• A note on \(N\)-body computations with cutoffs
• Action graphs and coverings
• Classifying cubic symmetric graphs of order \(8p\) or \(8p^2\)
• Comparing four classes of torus-based parallel architectures: network parameters and communication performance
• Cubic symmetric graphs of order twice an odd prime-power
• Efficient parallel algorithms for molecular dynamics simulations
• Fast parallel algorithms for short-range molecular dynamics
• Lifting graph automorphisms by voltage assignments
• Parallel algorithms in computational science
• Two-dimensional regular \(d\)-meshes

Cited in

(2)

• On the Hamiltonian cycle mapping onto 3-D torus interconnection network based on base-b reflected gray codes
• Combinatorial multinomial generators for colorings of 4D-hypercubes and their applications

Describes a project that uses

Uses Software

• MPI
• CHARMM
• NAMD

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