Speeding up parallel GROMACS on high-latency networks

Journal of Computational Chemistry

Volumn 28, Issue 12, 2007, Pages 2075-2084

  Kutzner, Carsten ^a   Van Der Spoel, David ^b   Fechner, Martin ^a   Lindahl, Erik ^c   Schmitt, Udo W ^a   De Groot, Bert L ^a   Grubmüller, Helmut ^a  

^a MAX PLANCK INSTITUTE FOR BIOPHYSICAL CHEMISTRY   (Germany)

^b UPPSALA UNIVERSITY   (Sweden)

^c STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

Car Parrinello MD; Ethernet flow control; GROMACS parallel molecular dynamics; MPI_Alltoall; Network congestion

Indexed keywords

BANDWIDTH; CONGESTION CONTROL (COMMUNICATION); ETHERNET; PACKET NETWORKS; SUPERCOMPUTERS;

CAR-PARRINELLO MD; ETHERNET FLOW CONTROL; GROMACS PARALLEL MOLECULAR DYNAMICS; NETWORK CONGESTION;

MOLECULAR DYNAMICS;

EID: 34547241687     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20703     Document Type: Article

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