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Volumn , Issue , 2013, Pages 43-50

Early experiences scaling VMD molecular visualization and analysis jobs on blue waters

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS; SUPERCOMPUTERS;

EID: 84901007959     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1109/XSW.2013.10     Document Type: Conference Paper
Times cited : (20)

References (24)
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    • (2008) J. Chem. Theor. Comp. , vol.4 , Issue.2 , pp. 222-231
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  • 7
    • 55749101745 scopus 로고    scopus 로고
    • The impact ofaccelerator processors for high-throughput molecular modeling andsimulation
    • G. Giupponi, M.J. Harvey, and G. De Fabritiis. The impact ofaccelerator processors for high-throughput molecular modeling andsimulation. Drug Discovery Today, 13(23-24):1052-1058, 2008.
    • (2008) Drug Discovery Today , vol.13 , Issue.23-24 , pp. 1052-1058
    • Giupponi, G.1    Harvey, M.J.2    De Fabritiis, G.3
  • 11
    • 84901043738 scopus 로고    scopus 로고
    • Analysis of the blue watersfile system architecture for application I/O performance
    • (CUG 2013), May
    • Kalyana Chadalavada and Robert Sisneros. Analysis of the Blue Watersfile system architecture for application I/O performance. In Cray UserGroup Meeting (CUG 2013), May 2013.
    • (2013) Cray User Group Meeting
    • Chadalavada, K.1    Sisneros, R.2
  • 12
    • 84901043727 scopus 로고    scopus 로고
    • Blue waters I/O performance
    • (CUG 2013), May
    • Mark Swan and Doug Petesch. Blue Waters I/O performance. In CrayUser Group Meeting (CUG 2013), May 2013.
    • (2013) CrayUser Group Meeting
    • Swan, M.1    Petesch, D.2
  • 15
    • 80053344063 scopus 로고    scopus 로고
    • Immersiveout-of-core visualization of large-size and long-timescale moleculardynamics trajectories
    • John E. Stone, Kirby L. Vandivort, and Klaus Schulten. Immersiveout-of-core visualization of large-size and long-timescale moleculardynamics trajectories. Lect. Notes in Comp. Sci., 6939:1-12, 2011.
    • (2011) Lect. Notes in Comp. Sci. , vol.6939 , pp. 1-12
    • Stone, J.E.1    Vandivort, K.L.2    Schulten, K.3
  • 16
    • 60649084560 scopus 로고    scopus 로고
    • Multilevelsummation of electrostatic potentials using graphics processing units
    • David J. Hardy, John E. Stone, and Klaus Schulten. Multilevelsummation of electrostatic potentials using graphics processing units.J. Paral. Comp., 35:164-177, 2009.
    • (2009) J. Paral. Comp. , vol.35 , pp. 164-177
    • Hardy, D.J.1    Stone, J.E.2    Schulten, K.3
  • 18
    • 79952443011 scopus 로고    scopus 로고
    • Fast analysisof molecular dynamics trajectories with graphics processing units-radialdistribution function histogramming
    • Benjamin G. Levine, John E. Stone, and Axel Kohlmeyer. Fast analysisof molecular dynamics trajectories with graphics processing units- radialdistribution function histogramming. J. Comp. Phys., 230:3556-3569,2011.
    • (2011) J. Comp. Phys. , vol.230 , pp. 3556-3569
    • Levine, B.G.1    Stone, J.E.2    Kohlmeyer, A.3
  • 19
    • 84875929674 scopus 로고    scopus 로고
    • Fastvisualization of Gaussian density surfaces for molecular dynamics andparticle system trajectories
    • DOI: 10.2312/PE/EuroVisShort/EuroVisShort2012/067-071
    • Michael Krone, John E. Stone, Thomas Ertl, and Klaus Schulten. Fastvisualization of Gaussian density surfaces for molecular dynamics andparticle system trajectories. In EuroVis-Short Papers 2012, pages 67-71, 2012. DOI: 10.2312/PE/EuroVisShort/EuroVisShort2012/067-071.
    • (2012) Euro Vis-Short Papers 2012 , pp. 67-71
    • Krone, M.1    Stone, J.E.2    Ertl, T.3    Schulten, K.4
  • 20
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    • Tutorial, Theoretical and Computational Biophysics Group, Universityof Illinois at Urbana-Champaign
    • Barry Isralewitz. Timeline: a VMD plugin for trajectory analysis.Tutorial, Theoretical and Computational Biophysics Group, Universityof Illinois at Urbana-Champaign, 2012.
    • (2012) Timeline: A VMD Plugin for Trajectory Analysis
    • Isralewitz, B.1
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    • Running in reverse: Thestructural basis for translocation polarity in hexameric helicases
    • Nathan D. Thomsen and James M. Berger. Running in reverse: Thestructural basis for translocation polarity in hexameric helicases. Cell,139(3):523-534, 2009.
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    • Rendering of numerical flowsimulations using MPI
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    • Stone, J.1    Underwood, M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.