Parallel implementation of the recursive Green's function method

DOI10.1016/J.JCP.2005.11.010zbMATH Open1119.78018arXivcond-mat/0507415OpenAlexW2164126827MaRDI QIDQ2495752FDOQ2495752

Authors: P. S. Drouvelis, P. Schmelcher, P. Bastian 

Publication date: 30 June 2006

Published in: Journal of Computational Physics (Search for Journal in Brave)

Abstract: A parallel algorithm for the implementation of the recursive Green's function technique, which is extensively applied in the coherent scattering formalism, is developed. The algorithm performs a domain decomposition of the scattering region among the processors participating in the computation and calculates the Schur's complement block in the form of distributed blocks among the processors. If the method is applied recursively, thereby eliminating the processors cyclically, it is possible to arrive at a Schur's complement block of small size and compute the desired block of the Green's function matrix directly. The numerical complexity due to the longitudinal dimension of the scatterer scales linearly with the number of processors, though, the computational cost due to the processors' cyclic reduction, establishes a bottleneck to achieve efficiency 100%. The proposed algorithm is accompanied by a performance analysis for two numerical benchmarks, in which the dominant sources of computational load and parallel overhead as well as their competitive role in the efficiency of the algorithm will be demonstrated.

Full work available at URL: https://arxiv.org/abs/cond-mat/0507415

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zbMATH Keywords

recursive Green's function methodblock tridiagonal matricescoherent transportSchur's complementparallel recursive algorithm

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Diffraction, scattering (78A45) Physical optics (78A10)

Cites Work

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Cited In (8)

• A hybrid method for the parallel computation of Green's functions
• Treecode-accelerated Green iteration for Kohn-Sham density functional theory
• Examining the analytic structure of Green's functions: massive parallel complex integration using GPUs
• Memory efficient Fock-space recursion scheme for computing many-fermion resolvents
• Recursive Green's function method for multi-terminal nanostructures
• Block tridiagonal matrix inversion and fast transmission calculations
• Fast algorithms for implementation of the Green's function
• Optimal block-tridiagonalization of matrices for coherent charge transport

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