Coupled cluster algorithms for networks of shared memory parallel processors

DOI10.1016/J.CPC.2007.03.001MaRDI QIDQ710043zbMATH OpenOpenAlexFDO

Authors Jonathan L. Bentz, Ryan M. Olson, Mark S. Gordon, Michael W. Schmidt, Ricky A. Kendall

Publication date 18 October 2010

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cpc.2007.03.001

zbMATH Keywords

parallel algorithmselectronic structure calculationscoupled cluster algorithmshybrid programming

Mathematics Subject Classification ID

Parallel algorithms in computer science (68W10) Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

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Cites work

• High performance computational chemistry: An overview of NWChem a distributed parallel application
• The distributed data interface in GAMESS

Cited in

(1)

• Spin summations: a high-performance perspective

Describes a project that uses

Uses Software

• NWChem
• GAMESS

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