Implementing molecular dynamics on hybrid high performance computers - Particle-particle particle-mesh

Computer Physics Communications

Volumn 183, Issue 3, 2012, Pages 449-459

  Brown, W Michael ^a   Kohlmeyer, Axel ^b   Plimpton, Steven J ^c   Tharrington, Arnold N ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b Temple University   (United States)

^c SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

Electrostatics; GPU; Hybrid parallel computing; Molecular dynamics; Particle mesh

Indexed keywords

DISTRIBUTED MEMORY; EFFICIENT IMPLEMENTATION; ELECTRICAL POWER; FLOATING POINT PROCESSOR; FUTURE DIRECTIONS; GPU; GPU CLUSTERS; GRAPHICS PROCESSING UNITS; HETEROGENEOUS COMPUTERS; HIGH MEMORY BANDWIDTH; HIGH-PERFORMANCE COMPUTERS; HYBRID MACHINE; IMPROVING PERFORMANCE; INFINIBAND; LOW COSTS; MULTI CORE; PARALLEL EFFICIENCY; PARTICLE-MESH METHOD; PERFORMANCE COMPARISON; PROCESSING POWER; SCIENTIFIC COMPUTING APPLICATIONS; SHORT-RANGE MODEL;

COMPUTER GRAPHICS; DIGITAL ARITHMETIC; DYNAMICS; ELECTROSTATIC FORCE; ELECTROSTATICS; MICROPROCESSOR CHIPS; PARALLEL ARCHITECTURES; POWER QUALITY; PROGRAM PROCESSORS;

MOLECULAR DYNAMICS;

EID: 84855431216     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2011.10.012     Document Type: Article

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