On ERI sorting for SIMD execution of large-scale Hartree-Fock SCF

Computer Physics Communications

Volumn 178, Issue 11, 2008, Pages 817-834

  Ramdas, Tirath ^a   Egan, Gregory K ^a   Abramson, David ^a   Baldridge, Kim K ^b  

^a MONASH UNIVERSITY   (Australia)

^b UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

Electron repulsion integrals; Hartree Fock self consistent field; Single instruction multiple data processing

Indexed keywords

COMPUTER GRAPHICS; DATA PROCESSING; FIELD PROGRAMMABLE GATE ARRAYS (FPGA); PROGRAM PROCESSORS; STORAGE ALLOCATION (COMPUTER); THROUGHPUT;

ELECTRON REPULSION INTEGRALS; HARTREE-FOCK SELF CONSISTENT FIELDS; MEMORY LOCALITY ANALYSIS; SINGLE INSTRUCTION MULTIPLE DATA PROCESSING;

SORTING;

EID: 43049175171     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2008.01.045     Document Type: Article

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