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Dual-level parallelism for ab initio molecular dynamics: Reaching teraflop performance with the CPMD code.
Jürg Hutter
Alessandro Curioni
Published in:
Parallel Comput. (2005)
Keyphrases
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molecular dynamics
level parallelism
scientific data
high performance computing
protein folding
molecular dynamics simulations
source code
instruction set
multi core processors
sensor networks
fluid flow
database systems
data collection