The divide-expand-consolidate MP2 scheme goes massively parallel

Molecular Physics

Volumn 111, Issue 9-11, 2013, Pages 1196-1210

  Kristensen, Kasper ^a   Kjærgaard, Thomas ^a   Høyvik, Ida Marie ^a   Ettenhuber, Patrick ^a   Jørgensen, Poul ^a   Jansik, Branislav ^b   Reine, Simen ^c   Jakowski, Jacek ^d  

^a AARHUS UNIVERSITY   (Denmark)

^b VSB TECHNICAL UNIVERSITY OF OSTRAVA   (Czech Republic)

^c UNIVERSITY OF OSLO   (Norway)

^d Department University of Tennessee   (United States)

Author keywords

DEC; large molecules; linear scaling; massively parallel; MP2

Indexed keywords

DEC; DISTRIBUTION SCHEME; LINEAR SCALING; MASSIVELY PARALLELS; MEMORY BOTTLENECK; MOLECULAR SYSTEMS; MP2; PARALLEL SCALABILITY;

COMPUTER ARCHITECTURE; SCALABILITY;

ALGORITHMS;

EID: 84882456041     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2013.783941     Document Type: Article

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