Performance of computationally intensive parameter sweep applications on Internet-based Grids of computers: The mapping of molecular potential energy hypersurfaces

Concurrency and Computation: Practice and Experience

Volumn 19, Issue 4, 2007, Pages 463-481

  Reyes, S ^a   Munoz Caro C ^a   Nino A ^a,b   Badia, R M ^b   Cela, J M ^b  

^a UNIVERSITY OF CASTILLA LA MANCHA   (Spain)

^b BARCELONA SUPERCOMPUTING CENTER   (Spain)

Author keywords

Electronic structure calculations; Grid computing; parameter sweep; GRID superscalar; Performance modeling; Potential energy hypersurfaces

Indexed keywords

COMPUTATION THEORY; ELECTRONIC STRUCTURE; INTERNET; PARAMETER ESTIMATION; POTENTIAL ENERGY; PROBLEM SOLVING;

ELECTRONIC STRUCTURE CALCULATIONS; GRID SUPERSCALAR; PARAMETER SWEEP; PERFORMANCE MODELING; POTENTIAL ENERGY HYPERSURFACES;

GRID COMPUTING;

EID: 33947422156     PISSN: 15320626     EISSN: 15320634     Source Type: Journal    
DOI: 10.1002/cpe.1114     Document Type: Article

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