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International Journal of High Performance Computing Applications
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A Parallel Implementation: Real Space Green’s Function Technique

Berk Onat

Informatics Institute, Istanbul Technical University, Maslak 34469, Istanbul, Turkey

Sondan Durukanoglu

Department of Physics, Istanbul Technical University, Maslak 34469, Istanbul, Turkey

Hasan Dag

Department of Information Technologies, Isik University, Sile 34980, Istanbul, Turkey, dag{at}isikun.edu.tr

We develop an MPI-based parallel algorithm to implement the real space Green’s function technique for calculating the vibrational density of states corresponding to a solid. The Hamiltonian describing the interactions between the atoms within the system is obtained from the embedded atom method. The parallel implementation speeds up calculation by an order of magnitude. The parallel implementation details and results are presented in this paper.

Key Words: Vibrations • Metals • Vicinal surfaces • parallel algorithm • MPI

International Journal of High Performance Computing Applications, Vol. 21, No. 1, 66-74 (2007)
DOI: 10.1177/1094342006074862
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