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Russ Miller |
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Director, Center for Computational Research |
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UB Distinguished Professor, Computer Science
& Engineering |
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Senior Research Scientist, Hauptman-Woodward
Medical Inst |
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Supercomputing Center |
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High-Performance Computing (9TF; 250TB) |
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gapcon.com: 6th Worldwide; #1
Academia |
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High-End Visualization |
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$42M New Grants; $46M Vendor Support |
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Support ~100 Groups in ~25 Depts + 12 Industry |
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Bioinformatics Center |
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$61M NYS; $3M Feds; $53M New Grants; |
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$3.5 Foundation; $135M Corporate |
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Education/Outreach/Training |
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H.S. Summer Program |
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Hosts Meetings/Provides Tours |
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Work with Local Industry & Local Colleges |
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Wide-Variety of Degree Programs |
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Dell Linux Cluster |
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5.8TF Peak; 4036 Processors (PIII 1.2GHz + P4
2.4GHz) |
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2TB RAM; 160TB Disk |
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16TB RAID |
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Dell Linux Cluster |
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2.9TF Peak; 304 Processors (P4 2.4GHz) |
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Myrinet2000 |
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600GB RAM; 40TB Disk |
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HP/Compaq SAN (Oct, 2002) |
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25TB Disk |
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250TB Tape |
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HP/Compaq 1TF EV7 Alpha System (3/03) |
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Fakespace ImmersaDesk |
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SGI 3300W |
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Portable Systems |
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Access Grid Node |
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Tiled Display Wall |
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Onyx2 / Onyx300 |
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Groundwater Modeling |
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Predict contaminant flow in groundwater &
possible migration into streams and lakes. |
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Geophysical Mass Flows |
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Study of geophysical mass flows for risk
assessment of lava flows and mudslides. |
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Astrophysics |
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Determine whether interacting astrophysical jets
in dense star environments can generate turbulence in surrounding medium |
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Bioinformatics |
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Protein Folding (Computer simulations determine
the 3D structure of proteins.) |
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Pharmacology |
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Computational Chemistry |
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Algorithm Development & Simulations |
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Fluid Dynamics |
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Modeling turbulent flows and combustion to
improve design of chemical reactors, turbine engines, and airplanes. |
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Current work is based on Analytic Element Method |
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Key features: |
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High precision |
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Highly parallel |
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Object-oriented programming |
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Intelligent user interface |
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GIS facilitates large-scale regional
applications |
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Utilized 10,661 CPU days (32 CPU years) of
computing in past year on CCR’s commodity clusters |
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Integrate information from several sources |
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Simulation results |
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Remote sensing |
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GIS data |
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Develop realistic 3D models of geophysical mass
flows |
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Present information at user appropriate
resolutions |
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SnB Software by UB/HWI |
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“Top Algorithms of the Century” |
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Critical to Rational Drug Design |
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Important Link in Structural Biology |
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Current Effort |
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Grid |
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Collaboratory |
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Intelligent Learning |
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Ability of proteins to perform biological
function is attributed to their 3-D structure. |
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Protein folding problem refers to the challenge
of predicting 3-D structure from amino-acid sequence. |
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Solving the protein folding problem will impact
drug design. |
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3D Reconstruction of CT Dataset |
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Created with the Visualization Toolkit (VTK) on
a Linux Workstation |
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3D Isosurface Clearly Shows Structure that is
Nearly Impossible to Determine from 2D Slices |
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Master’s Program in Bioinformatics (Sloan) |
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Advanced Degrees under development |
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Pharmacometrics, Biophotonics, Computational
Chemistry, Molecular Biology |
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School of Informatics (AT&T curr. dev.) |
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UB-HWI Dept. of Structural Biology |
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Complementary Degrees |
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Canisius College and Niagara University |
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miller@buffalo.edu |
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www.ccr.buffalo.edu |
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www.bioinformatics.buffalo.edu |
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Notes
