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Resolutions of the Coulomb Operator: VIII. Parallel Implementation Using the Modern Programming Language X10

Limpanuparb, Taweetham; Milthorpe, Josh; Rendell, Alistair


Use of the modern parallel programming language X10 for computing long-range Coulomb and exchange interactions is presented. By using X10, a partitioned global address space language with support for task parallelism and the explicit representation of data locality, the resolution of the Ewald operator can be parallelized in a straightforward manner including use of both intranode and internode parallelism. We evaluate four different schemes for dynamic load balancing of integral calculation...[Show more]

CollectionsANU Research Publications
Date published: 2014
Type: Journal article
Source: Journal of Computational Chemistry
DOI: 10.1002/jcc.23720


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