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  Speeding up parallel GROMACS on high-latency networks

Kutzner, C., van der Spoel, D., Fechner, M., Lindahl, E., Schmitt, U. W., de Groot, B. L., et al. (2007). Speeding up parallel GROMACS on high-latency networks. Journal of Computational Chemistry, 28(12), 2075-2084. Retrieved from http://www3.interscience.wiley.com/cgi-bin/fulltext/114205207/HTMLSTART.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0012-E29B-E Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0027-DBF1-B
Genre: Journal Article

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 Creators:
Kutzner, C.1, Author              
van der Spoel, D., Author
Fechner, M.2, Author              
Lindahl, E., Author
Schmitt, U. W.1, Author              
de Groot, B. L.3, Author              
Grubmueller, H.1, Author              
Affiliations:
1Department of Theoretical and Computational Biophysics, MPI for biophysical chemistry, Max Planck Society, ou_578631              
2Emeritus Group of Spectroscopy and Photochemical Kinetics, MPI for biophysical chemistry, Max Planck Society, ou_578625              
3Research Group of Computational Biomolecular Dynamics, MPI for biophysical chemistry, Max Planck Society, ou_578573              

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Free keywords: GROMACS parallel molecular dynamics; Car-Parrinello MD; Ethernet flow control; MPI_Alltoall; network congestion
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 Dates: 2007
 Publication Status: Published in print
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Title: Journal of Computational Chemistry
Source Genre: Journal
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Pages: - Volume / Issue: 28 (12) Sequence Number: - Start / End Page: 2075 - 2084 Identifier: -