ERI sorting for emerging processor architectures

Computer Physics Communications

Volumn 180, Issue 8, 2009, Pages 1221-1229

  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

AB INITIO; ADDRESS SPACE; CELL BROADBAND ENGINE; COMPUTATIONAL CHEMISTRY; DATA CACHES; ELECTRON REPULSION INTEGRALS; HARTREE-FOCK SELF-CONSISTENT FIELD; HETEROGENEOUS PROCESSORS; INSTRUCTION CACHES; PROCESSOR ARCHITECTURES; RECONFIGURABLE COMPUTING; SIMD PROCESSING; SIMULATION-BASED; SINGLE-INSTRUCTION-MULTIPLE-DATA PROCESSING;

CACHE MEMORY; CELL MEMBRANES; CURRENT VOLTAGE CHARACTERISTICS; DATA PROCESSING; MOLECULAR PHYSICS; SORTING; SURFACE STRUCTURE;

COMPUTER ARCHITECTURE;

EID: 67650863162     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2009.01.029     Document Type: Article

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