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Use of Cluster OpenMP with the Gaussian Quantum Chemistry Code: A Preliminary Performance Analysis

Yang, Rui; Cai, Jie; Rendell, Alistair; Ganesh (Venkateshwara), V (Ganesh)

Description

The Intel Cluster OpenMP (CLOMP) compiler and associated runtime environment offer the potential to run OpenMP applications over a few nodes of a cluster. This paper reports on our efforts to use CLOMP with the Gaussian quantum chemistry code. Sample results on a four node quad core Intel cluster show reasonable speedups. In some cases it is found preferable to use multiple nodes compared to using multiple cores within a single node. The performances of the different benchmarks are analyzed in...[Show more]

CollectionsANU Research Publications
Date published: 2009
Type: Book chapter
URI: http://hdl.handle.net/1885/52775
DOI: 10.1007/978-3-642-02303-3_5

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