Performance characterization of a molecular dynamics code on PC clusters: Is there any easy parallelism in CHARMM?

Proceedings - International Parallel and Distributed Processing Symposium, IPDPS 2002

Volumn , Issue , 2002, Pages 282-289

  Taufer, M ^a   Perathoner, E ^a,c   Cavalli, A ^b   Caflisch, A ^b   Stricker, T ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF ZURICH   (Switzerland)

^c UNIVERSITY OF PADOVA   (Italy)

Author keywords

cluster of PCs; distributed computation; distributed molecular dynamics; message passing; middleware; performance optimization; performance tuning

Indexed keywords

EID: 84966539606     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1109/IPDPS.2002.1015505     Document Type: Conference Paper

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