Abstract
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.
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Meier, U., Vogelsang, R. (1990). Parallelizing an SCF program on SUPRENUM. In: Harms, U. (eds) Supercomputer and Chemistry. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-75917-8_6
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DOI: https://doi.org/10.1007/978-3-642-75917-8_6
Publisher Name: Springer, Berlin, Heidelberg
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