Parallel short range molecular dynamics simulations on computer clusters: performance evaluation and modeling
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Publication:815407
DOI10.1016/j.mcm.2005.09.007zbMath1121.62551OpenAlexW2064417750MaRDI QIDQ815407
N. S. Cholevas, A. B. Liakopoulos, Theodoros E. Karakasidis
Publication date: 16 February 2006
Published in: Mathematical and Computer Modelling (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.mcm.2005.09.007
MPImolecular dynamicsdistributed computingcluster computingatom decompositionLennard-Jones liquidparallel simulations
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Cites Work
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- Molecular dynamics simulation using quaternions
- Fast parallel algorithms for short-range molecular dynamics
- Measurement and prediction of communication delays in Myrinet networks
- Parallel molecular dynamics simulations for short-ranged many-body potentials
- Modelling and analysis of communication overhead for parallel matrix algorithms
- Performance modeling and evaluation of MPI
- Balancing load versus decreasing communication: Parameterizing the tradeoff
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