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Full Record Details
Persistent URL
http://purl.org/net/epubs/work/39893
Record Status
Checked
Record Id
39893
Title
Terascale materials modelling on high performance system HPCx
Contributors
M Plummer (CCLRC Daresbury Lab.)
,
J Hein
,
MF Guest (CCLRC Daresbury Lab.)
,
KJ D'Mellow
,
IJ Bush (CCLRC Daresbury Lab.)
,
K Refson (CCLRC Rutherford Appleton Lab.)
,
GJ Pringle
,
L Smith
,
A Trew
Abstract
We describe the HPCx UoE Ltd national computing resource HPCx Phase 2 as used in 2004 and 2005. We describe the work of the HPCx ?terascaling team? and how this work in collaboration with scientists and code developers allows for efficient exploitation of large-scale computational resources to produce new science as described in the rest of this volume. We emphasize the need for scientists and code developers to have an understanding of the peculiarities of the national and international facilities they use to generate their data. We give some examples of successful application code optimization in materials chemistry on HPCx. We introduce HPCx Phase 2A which entered service in November 2005.
Organisation
CCLRC
,
CSE
,
CSE-HEC
Keywords
Funding Information
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Language
English (EN)
Type
Details
URI(s)
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Year
Journal Article
J Mater Chem
16, no. 20 (2006): 1885-1893.
doi:10.1039/b600182n
2006
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