ePubs

The open archive for STFC research publications

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
Related Research Object(s):
Licence Information:
Language	English (EN)

Type	Details	URI(s)	Local file(s)	Year
Journal Article	J Mater Chem 16, no. 20 (2006): 1885-1893.	doi:10.1039/b600182n		2006