Porting ONETEP to graphical processing unit-based coprocessors. 1. FFT box operations

Journal of Computational Chemistry

Volumn 34, Issue 28, 2013, Pages 2446-2459

  Wilkinson, Karl ^a   Skylaris, Chris Kriton ^a  

^a UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

Author keywords

graphical processing units; heterogeneous computing; linear scaling; quantum chemistry

Indexed keywords

ENERGY CALCULATION; GRAPHICAL PROCESSING UNIT (GPUS); GRAPHICAL PROCESSING UNITS; HETEROGENEOUS COMPUTING; HIGH-PERFORMANCE COMPUTING; LINEAR SCALING; PROGRAMMING MODELS; QUANTUM-MECHANICAL CALCULATION;

ALGORITHMS; COMPUTER SOFTWARE PORTABILITY; DATA TRANSFER; DISTRIBUTED COMPUTER SYSTEMS; FAST FOURIER TRANSFORMS; KINETICS; PROGRAM PROCESSORS; QUANTUM CHEMISTRY;

COMPUTER GRAPHICS EQUIPMENT;

EID: 84884904918     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23410     Document Type: Article

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