Notes
Outline
The Center for
Computational Research
Russ Miller, Director
Professor, Comp Sci & Eng
Senior Research Scientist @ Hauptman-Woodward Inst.
Adj Prof., Electrical Engineering and Structural Biology
Overview
Leading U.S. Academic Supercomputing Center
High-Performance Computing and High-End Visualization
Support ~80 Groups in ~25 Depts at UB
Funding
Initial $300K Provided by NSF (CS/Chem)
UB Faculty/Staff have Leveraged CCR to Acquire $40M in Funding
Education/Outreach/Training
H.S. Summer Program
Work with Local Industry
Hosts Meetings/Provides Tours
M.S. Certificate Program in Computational Science
Corporate Partners: IBM, SGI, Sun, Alias|Wavefront, Q-Chem, Nortel, IBC Digital, Praxair, Sarnoff, Myricom,…..
Computational Science
and Engineering
Third Science (Theoretical and Laboratory)
Focuses on Scientific Problems, combining:
Mathematics qComputer Science
Disciplinary Science
Biology qChemistry
Applied and Eng. Fields qPhysics
Impact (Simulation)
Structural Biology qMaterials Science
Fluid Dynamics qHigh Energy Physics
Pharm. Drug Design qGlobal Climate Change
NSF: “proving to be an effective way to generate new knowledge”
Sample CCR-Supported Research
Semiconductor Manufacturing
New processes & chemicals to improve the manufacturing of computer chips.
Environmentally Friendly Solvents
Study supercritical CO2 as a solvent to reduce the need for toxic solvents.
Protein Folding
Computer simulations determine the 3D structure of proteins.
Dental Implant Design
Simulation and modeling of a dental implant in a jawbone to reduce failure rate.
Volcanology
Study of volcanoes for risk assessment. Modeling of lava flows and mudslides.
Groundwater Modeling
Predict contaminant flow in groundwater & migration into streams and lakes.
Fluid Dynamics
Modeling turbulent flows and combustion in order to improve design of chemical reactors, turbine engines, and airplanes.
CCR Computing (0.4TFlops)
SGI Origin2000
128 Processors (250 MHz)
32 GB RAM
400 GB Fibre Channel Disk Storage
IBM RS/6000 SP
78 Processors
26 GB Ram, 640 GB Disk Storage
Sun Microsystems Cluster
48 Sun Ultra 5 Workstations (333MHz)
32 Sunblades (750MHz)
Myrinet + 100BT Ethernet
SGI Intel Linux Cluster
150 Pentium III Processors (1 GHz)
75 GB RAM, 2.5 TB Disk Storage
Myrinet2000 + 100BT Ethernet
CCR Visualization
Manufacturing
Medical Imaging
Computational Science
Simulation & Modeling
Historical Reenactments
Multimedia Presentations
Molecular Structure Determination
SnB Software by UB/HWI
“Top Algorithms of the Century”
Critical to Rational Drug Design
Important Link in Structural Biology
Vancomycin - Antibiotic of Last Resort
Collaboratory – Incorporated in Backend of System
HWI, CSE, CCR
Children’s Hospital CT
3D Reconstruction of CT Dataset
Created with the Visualization Toolkit (VTK) on a Linux Workstation
3D Isosurface Shows Structure that is Nearly Impossible to Determine from 2D Slices
Children’s & CCR
Confocal Microscopy
3D Reconstruction of an Oral Epithelial Cell
Translucent White Surface Represents the Cell Membrane
Reddish Surface Represents Groups of Bacteria
Photonics & CCR
Pan Am Exposition
1901 Celebration
Hightlighted Americas
Featured all Aspects of Life
Arts to Technology
Buffalo
1st American City to Light Streets with Electricity
Most Paved Streets in World
Walk Through
PSCHologram
Pan Am Temple of Music
3D & LightBox
Media & CCR
Peace Bridge
(IBC Digital / UB VR Lab / CCR)
International Crossing (USA/Canada)
Existing Bridge: Old (75yrs) & Small (3 lanes)
Existing USA Plaza: Small & Poor Design
IBC, VR Lab, CCR
Proposed Options
Relocate USA Plaza
Build a 3 Lane Companion & Rehab Original
Build a 6 Lane Signature Span
CCR Provides Immersive 3D Viz
All Bridge & Plaza Options
Buffalo Medical Corridor
Realtime Visualization of the Downtown Medical Complex
Photorealistic Representation
Alias|Wavefront and Multigen
3D Tool for Future Development
IBC & CCR
Sarnoff Project
Enhanced Visualization Modalities
Commodity Cluster-Based Viz
$2.3M/yr Subcontract
Parallel File Database Servers
High-Redundancy/Low-Failure
IBM Intel Linux Cluster
28 Pentium III Processors (1 GHz)
28 GB RAM, 2.2 TB Disk storage
Emulex + 100BT Ethernet
CCR
Future Acquisitions
Hardware
1-4TFlops of Cluster Computing
Commodity Viz Clusters
Portable Viz Systems
Additional Viz Workbench
ACCESS Grid
Commodity Projection Systems
Software
Bioinformatics
Modeling and Simulation Packages
Database & Data Mining
Storage Management
"CCR Grand Opening"
   CCR Grand Opening
Contact Information
(www.ccr.buffalo.edu  miller@ccr.buffalo.edu)