Time Independent 3D Quantum Reactive Scattering on MIMD Parallel Computers

Authors:
Alessandro Bolloni;Stefano Crocchianti;Antonio Laganà
Affiliations:
-;-;-
Venue:
Proceedings of the 7th European PVM/MPI Users' Group Meeting on Recent Advances in Parallel Virtual Machine and Message Passing Interface
Year:
2000

Citing 3
Cited 0

Structured development of parallel programs

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Parallel Quantum Scattering Calculations Applied to the Dynamics of Elementary Reactions

Proceedings of the 5th European PVM/MPI Users' Group Meeting on Recent Advances in Parallel Virtual Machine and Message Passing Interface

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Abstract

An exact three dimensional quantum reactive scattering computational procedure (APH3D) aimed at calculating the reactive probability for atom diatom chemical reactions has been parallelized. Here, we examine the structure of the parallel algorithms developed to achieve high performances on MIMD architectures.