Acceleration of the GAMESS-UK electronic structure package on graphical processing units

Journal of Computational Chemistry

Volumn 32, Issue 10, 2011, Pages 2313-2318

  Wilkinson, Karl A ^a   Sherwood, Paul ^b   Guest, Martyn F ^c   Naidoo, Kevin J ^a  

^a UNIVERSITY OF CAPE TOWN   (South Africa)

^b DARESBURY LABORATORY   (United Kingdom)

^c CARDIFF UNIVERSITY   (United Kingdom)

Author keywords

accelerated computing; fortran scientific computing; GAMESS; GAMESS UK; graphical processing units; heterogeneous computing; two electron repulsion integrals

Indexed keywords

ACCELERATED COMPUTING; GAMESS; GAMESS-UK; GRAPHICAL PROCESSING UNITS; HETEROGENEOUS COMPUTING; REPULSION INTEGRALS;

ACCELERATION; CALCULATIONS; DENSITY FUNCTIONAL THEORY; DISTRIBUTED COMPUTER SYSTEMS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FORTRAN (PROGRAMMING LANGUAGE); IMAGE CODING; MOLECULAR ELECTRONICS; PROGRAM COMPILERS;

COMPUTER GRAPHICS EQUIPMENT;

EID: 79958242136     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21815     Document Type: Article

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