1990 | OriginalPaper | Buchkapitel
Parallelizing an SCF program on SUPRENUM
verfasst von : Ulrich Meier, Reiner Vogelsang
Erschienen in: Supercomputer and Chemistry
Verlag: Springer Berlin Heidelberg
Enthalten in: Professional Book Archive
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This article describes how an existing serial SCF-Programm can be adpated to a parallel computer architecture with distributed memory like the SUPRENUM system. The SCF program, which should be adapted, can be considered as a traditionally coded Gaussian lobe program as far as the code structure is concerned. The intregral part of the program is massively vectorized.A short overview of the SUPRENUM system describes the basic features of the hardware, programming environment, and the user interface.