Biomolecular electrostatics using a fast multipole BEM on up to 512 gpus and a billion unknowns

Computer Physics Communications

Volumn 182, Issue 6, 2011, Pages 1272-1283

  Yokota, Rio ^a   Bardhan, Jaydeep P ^b   Knepley, Matthew G ^c   Barba, L A ^a   Hamada, Tsuyoshi ^d  

^a Boston University   (United States)

^b RUSH UNIVERSITY MEDICAL CENTER   (United States)

^c UNIVERSITY OF CHICAGO   (United States)

^d NAGASAKI UNIVERSITY   (Japan)

Author keywords

Bioelectrostatics; Boundary element method; Fast multipole method; gpu; Graphics processors; Integral equations

Indexed keywords

ALGORITHMS; BOLTZMANN EQUATION; CLUSTER COMPUTING; DISSOCIATION; ELECTROSTATICS; INTEGRAL EQUATIONS; PARALLEL PROCESSING SYSTEMS; POISSON EQUATION; REYNOLDS NUMBER;

BIOELECTROSTATICS; BOUNDARY ELEMENTS; FAST MULTIPOLE METHOD; GPU; GRAPHICS PROCESSORS;

BOUNDARY ELEMENT METHOD;

EID: 84962408488     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2011.02.013     Document Type: Article

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