Original scientific paper

Development of a Quantum Chemical Two-Electron Integral Program for a Hierarchical Distributed Shared Memory Multiprocessor System (MEMSY)

Joachim Nedvidek ; Chair for Theoretical Chemistry, Friedrich-Alexander-University Erlangen Nurnberg, Egerlandstr. 3, 91054 Erlangen, FRO
Peter Otto ; Chair for Theoretical Chemistry, Friedrich-Alexander-University Erlangen Nurnberg, Egerlandstr. 3, 91054 Erlangen, FRO

Abstract

A quantum mechanical integral program has been implemented on
a multiprocessor system with a hierarchical architecture, having at
the same time a global memory and a locally distributed memory.
Due to this hardware concept the possibilities of communication
are manifold and therefore more complexin comparison with other
multiprocessor systems, e.g. Intel iPSC/860 or workstation clusters.
Nevertheless, the efficiencyobtained using asimulator or the real
system are of comparable quality. It is expected that this variety
of interprocessor communications can be employed to its full extent
in the second part of the program in which hermitian eigenvalue
problems have to be solved many times.

Keywords

Hrčak ID:

177120

URI

https://hrcak.srce.hr/177120

Publication date:

1.11.1996.

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