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Russ Miller Director, Center for Computational Research UB Distinguished Professor, Computer Science & Engineering Senior Research Scientist, Hauptman-Woodward Medical Inst The Center for Computational Research University at Buffalo The State University of New York

The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

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Page 1: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

Russ MillerDirector, Center for Computational Research

UB Distinguished Professor, Computer Science & EngineeringSenior Research Scientist, Hauptman-Woodward Medical Inst

The Center for Computational Research

University at BuffaloThe State University of New York

Page 2: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Computers are used in Many Professions

n Science and EngineeringqPhysics, Chemistry, BiologyqAerospace, Mechanical,

Civil, Environmentaln ArchitectureqBuilding and Bridge Design

n Computer Animation qCartoons, Movies,

AdvertisingqGames (Playstation,

Nintendo, PC games, etc) n Graphic Arts/Designn Computer Programmers

Page 3: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Gordon E. Mooren Co-Founder of Inteln Predicted (1965/75) that transistor density

would double every 12/18 monthsn Processing speed doubling every 18 mos.n Disk storage doubling every 12 mos.n Aggregate bandwidth doubling every 9 mos.

Gordon E. Moore

n A computation that took 1 year to run on a PC in 1985 would only take 5 mins to run on a PC today!

n A computation that runs in 2 hours on a PC today would have taken 24 years to run on a PC in 1985!

n A computation that took 1 year to run on a PC in 1985 would only take 5 mins to run on a PC today!

n A computation that runs in 2 hours on a PC today would have taken 24 years to run on a PC in 1985!

n A computation that took 1 year to run on a PC in 1985 would only take 5 mins to run on a PC today!

n A computation that runs in 2 hours on a PC today would have taken 24 years to run on a PC in 1985!

Page 4: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Beowulf Clustersn Industry Standard Hardware and SoftwareqPC-Based Components (Intel or AMD)qEthernet or MyrinetqLinux, PBS, MPIq“Commodity Off-The-Shelf” (COTS)

n Operates as a Single Systemn Rivals Performance of Traditional Supercomputer

at a Fraction of the Price

Thomas SterlingCaltech

CCR

Page 5: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

SupercomputersnFastest computers at any point in timenUsed to solve large and complex problemsnMachines 1000 times faster than a PCnMachines 10 times slower than what

you need to solve the most challenging problems

Seymour Cray1925-1996

“Seymour Cray is the Thomas Edison of the supercomputing industry”- Larry L. Smarr

Cray1 - 1976

Page 6: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Growth of Peak Performance

PC

Page 7: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Earth Simulatorn 40TFlops Peakn Homogeneous,

Centralized, Proprietary, Vector

n Expensive!n CFD-Weather,

Climate, Earthquaken 640 NEC SX/6 Nodes

(5120 CPUs)n Footprint = 4 tennis

courtsn $6M/year in power

Page 8: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Center for Computational Research1999-2003 Snapshot

Raptor Image

n High-Performance Computing and High-End Visualizationq 110 Research Groups in 27 Deptsq 13 Local Companies q 10 Local Institutions

n External Fundingq $111M External Fundingm$13.5M as leadm$97.5M in support

q $41.8M Vendor Donationsn Deliverablesq 350+ Publicationsq Software, Media, Algorithms, Consulting,

Training, CPU Cycles…

Page 9: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

n SGI Origin3800q 64 Processors (400 MHz) q 32 GB RAM; 400 GB Disk

n Apex Bioinformatics Systemq Sun V880 (3), 6800, 280R (2), PIIIsq Sun 3960: 7 TB Disk Storage

n HP/Compaq SANq 75 TB Disk; 190 TB Tape

Exit Strategy Required for Followingn IBM RS/6000 SPq 78 Heterogeneous Processors

n Sun Microsystems Clusterq 80 Heterogeneous Processorsq Myrinet

n SGI Intel Linux Clusterq 150 PIII Processors (1 GHz)q Myrinet

Major CCR Resources

n Dell Linux Cluster: #22 → #25 → #38q 600 P4 Processors (2.4 GHz)q 600 GB RAM; 40 TB Disk; Myrinet

n Dell Linux Cluster: #187 → #368 → off q 4036 Processors (PIII 1.2 GHz)q 2TB RAM; 160TB Disk; 16TB SNq Restricted Use (Skolnick)

Page 10: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Grid Computing Overview

n Coordinate Computing Resources, People, Instruments in Dynamic Geographically-Distributed Multi-Institutional Environment

n Treat Computing Resources like Commoditiesq Compute cycles, data storage, instruments q Human communication environments

n No Central Control; No Trust

Imaging InstrumentsComputational

ResourcesLarge-Scale Databases

Data Acquisition AnalysisAdvanced Visualization

Thanks toMark Ellisman

Page 11: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Advanced CCR Data Center (ACDC) Computational Grid Overview

300 Dual Processor2.4 GHz Intel XeonRedHat Linux 7.338.7 TB Scratch Space

Joplin: Compute Cluster 75 Dual Processor1 GHz Pentium IIIRedHat Linux 7.31.8 TB Scratch Space

Nash: Compute Cluster

9 Single Processor Dell P4 DesktopsSchool of Dental Medicine

13 Various SGI IRIX ProcessorsHauptman-Woodward Institute

25 Single Processor Sun Ultra5sComputer Science & Engineering

Crosby: Compute Cluster

SGI Origin 380064 - 400 MHz IP35IRIX 6.5.14m360 GB Scratch Space

9 Dual Processor1 GHz Pentium IIIRedHat Linux 7.3315 GB Scratch Space

Mama: Compute Cluster

16 Dual Sun Blades47 Sun Ultra5Solaris 8770 GB Scratch Space

Young: Compute Cluster

T1 Connection

Note: Network connections are 100 Mbps unless otherwise noted.

19 IRIX, RedHat, & WINNT Processors

CCRRedHat, IRIX, Solaris,

WINNT, etc

Expanding

ACDC: Grid Portal4 Processor Dell 66501.6 GHz Intel XeonRedHat Linux 9.066 GB Scratch Space

1 Dual Processor250 MHz IP30IRIX 6.5

Fogerty: Condor Flock Master

Page 12: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Molecular Structure Determinationvia Shake-and-Bake

n SnB Software by UB/HWIq“Top Algorithms of the Century”

nWorldwide Utilizationn Critical to Rational Drug Designn Important Link in Structural Biologyn Vancomycin: Antibiotic of Last Resortn Current EffortqGridqCollaboratoryq Intelligent Learning

Page 13: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Groundwater Flow Modelingn Regional-scale modeling of groundwater

flow and contaminant transport (Great Lakes Region)

n Ability to include all hydrogeologicfeatures as independent objects

n Current work is based on Analytic Element Method

n Key features:q High precisionq Highly parallelq Object-oriented programmingq Intelligent user interfaceq GIS facilitates large-scale regional applications

n Utilized 10,661 CPU days (32 CPU years) of computing in past year on CCR’s commodity clusters

Page 14: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Risk Mitigation

n Integrate information from several sourcesq Simulation resultsq Remote sensingqGIS data

n Develop realistic 3D models of geophysical mass flows

n Present information at user appropriate resolutions

Page 15: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

CCR Visualization Resourcesn Fakespace ImmersaDesk R2q Portable 3D Device

n Tiled-Display Wallq 20 NEC projectors: 15.7M pixelsq Screen is 11’×7’q Dell PCs with Myrinet2000

n Access Grid NodeqGroup-to-Group Communicationq Commodity components

n SGI Reality Center 3300Wq Dual Barco’s on 8’×4’ screen

n VREX VR-4200 Stereo Imaging Projectorq Portable projector works with PC

Page 16: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Visualization in Planning Studies

Bergmann Associates: Indian Street Bridge - Florida

Page 17: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Williamsville Toll Barrier Improvement Project

Initial Photo Match incorporating real and computer-generated components

Page 18: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Real-time Simulation

q Key Receptor Sites q Multiple Viewpointsq Fully Interactiveq Aerial Photography

Page 19: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Accident Reconstruction

Page 20: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

The Accident

Page 21: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Accident Animation (Driver’s View)

Page 22: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

3D Medical Visualization App

n Collaboration with Children’s HospitalqLeading miniature

access surgery centern Application reads data

output from a CT Scann Visualize multiple

surfaces and volumesn Export images, movies

or CAD representation of model

Page 23: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Multiple Sclerosis Project

n Compare caudate nuclei between MS patients and healthy controls

n Looking for size as well as structure changesqLocalized deformitiesqSpacing between halves

n Able to see correlation between disease progression and physical structure changes

Page 24: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

StreetScenesStreetScenes®® Demonn StreetScenesStreetScenes®® is a

Virtual Reality (VR) software solution for 3D visualization of surface traffic

n 3D model of proposed soccer stadium in Rochester

n Used StreetScenesStreetScenes®® to import output file from Synchro traffic simulation

Page 25: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Select WNY Synergiesn IBC DigitalqGov. Pataki Visitq Peace Bridge (Early & Current)q Buffalo-Niagara Medical Campusq Compute Cycles for Animation

n Bergmann Associatesq Peace Bridge (Current)q NYS Thruway Toll Plaza

n Azar & Moreq Reenactment of 1901 Pan Am

Exhibitionq PHSCologram & Coursesq Avid Digital Editing

n Niagara Collegeq Start upq Peace Bridge (Current)

n Hauptman-Woodward Medical Research Instituteq Computingq Collaboratory

n The Children’s Hospital of BuffaloqMedical Visualization

n Veridianq Battlespace Management

Page 26: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Outreach

nHS Summer Workshops in Computational ScienceqChemistry, Bioinformatics, Visualizationq10-14 HS Students Participate Each Summer for 2 weeksqProject-Based Program

Page 27: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

OutreachnPilot HS Program in Computational ScienceqYear long extracurricular activity at Mount St. Mary’s,

City Honors, and Orchard Park HSqProduce next generation scientists and engineersqStudents learn Perl, SQL, Bioinformaticsq$50,000 startup funding from Verizon, PC’s from HP

Page 28: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Media Coverage

Page 29: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Outreach

Page 30: The Center for Computational Research...University at Buffalo The State University of New York Center for Computational Research CCR Gordon E. Moore nCo-Founder of Intel nPredicted

University at Buffalo The State University of New York CCRCenter for Computational Research

Contact Information

[email protected]