Performance models on QCDOC for molecular dynamics with Coulomb potentials

International Journal of High Performance Computing Applications

Volumn 18, Issue 2 SPEC. ISS., 2004, Pages 183-195

  Deng, Yuefan ^a,b   Glimm, James ^a,b   Davenport, James W ^b   Cai, Xiaodan ^c   Santos, Eunice E ^d  

^a Stony Brook University   (United States)

^b BROOKHAVEN NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^d State University   (United States)

Author keywords

Ewald summation; Molecular dynamics; Parallel computing; Timing estimates

Indexed keywords

ATOMS; CACHE MEMORY; COMPUTER HARDWARE; COMPUTER SIMULATION; MOLECULAR DYNAMICS; MOLECULES; QUANTUM THEORY;

COULUMB POTENTIALS; EWALD SUMMATION METHOD; QUANTUM CHROMODYNAMICS; TIMING ESTIMATES;

PARALLEL PROCESSING SYSTEMS;

EID: 2942568489     PISSN: 10943420     EISSN: None     Source Type: Journal    
DOI: 10.1177/1094342004044010     Document Type: Article

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