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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
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
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!
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
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
University at Buffalo The State University of New York CCRCenter for Computational Research
Growth of Peak Performance
PC
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
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…
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)
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
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
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
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
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
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
University at Buffalo The State University of New York CCRCenter for Computational Research
Visualization in Planning Studies
Bergmann Associates: Indian Street Bridge - Florida
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
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
University at Buffalo The State University of New York CCRCenter for Computational Research
Accident Reconstruction
University at Buffalo The State University of New York CCRCenter for Computational Research
The Accident
University at Buffalo The State University of New York CCRCenter for Computational Research
Accident Animation (Driver’s View)
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
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
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
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
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
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
University at Buffalo The State University of New York CCRCenter for Computational Research
Media Coverage
University at Buffalo The State University of New York CCRCenter for Computational Research
Outreach
University at Buffalo The State University of New York CCRCenter for Computational Research
Contact Information