Notes
Outline
The Center for Computational Research
Dr. Russ Miller, Director
Professor of Computer Science & Engineering, UB
Senior Research Scientist, Hauptman-Woodward Inst.
History of CCR
Ad-Hoc Task Force on High-Performance Computing
Formed January 1998 by Provost’s Office
Faculty from Science, Engineering, Medicine, Arts
Staff from Central Computing and Local Support Services
Final Report Submitted April 1998
Significant need to provide support in
Computational Science
High-Performance Computing
Visualization
National priority (PITAC report)
Recommends formation of CCR
Provost establishes CCR in Summer 1998
PITAC Report
(President’s Information Technology Advisory Committee)
Federal IT R&D Investment is Inadequate
Federal IT R&D Should Focus on Long-Term
Research Priorities
Scalable Information Infrastructure
Software and Communications technology for scaling infor. infrastr.
Expand NGI testbeds to foster development and deployment of enabling technologies
High-End Computing
Innovative computing technologies and architectures
Software for improving high-end computing
Acquisition of high-end computing to support sci. and eng. research
Expand Fed. High End Computing and Computation (HECC) program
Software
Socio-Economic and Workforce Impact
High-Performance Computing
"CCR Established:"
  CCR Established:   January, 1999
  CCR Facility Occupied:   May, 1999
  Research Groups Supported:   75+ (25 depts)
  Publications/Presentations:   100+
  Proposals Submitted:   50+ ($150M)
  Proposals Funded to Date:   20+ ($28M)
  Equipment/Software Donated:  12 ($6M)
  News Articles about CCR:   125+
Mission of CCR
Foster High-Tech Research & Economic Development
High-Performance Computing
High-End Visualization
Provide
Support Services
Collaborative Opportunities
Foster Partnerships
Computing & Visualization
Software & Consultation
Technology Transfer
Seminars, Workshops, Tutorials, and Courses
Management
Overview of CCR
Support/Expand HPC at SUNY-Buffalo
70 Research Groups/25 Departments
Economic Development in WNY
Local Companies
Education, Outreach, Training
HS, College, Companies
National Partnerships
SGI, IBM, Sun, Nortel, Alias|Wavefront, Myricom
Financial Leverage
$300K NSF ® $11M equip, $28M Grants, $6M Donations
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
Urban Planning
Manufacturing
Molecular Modeling
Multimedia Presentations
Historical Reenactments
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 as well as modeling of lava flows and mudslides.
Groundwater Modeling
Predict contaminant flow in groundwater & possible migration into streams and lakes.
Fluid Dynamics
Modeling turbulent flows and combustion to improve design of chemical reactors, turbine engines, and airplanes.
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
UB’s Virtual Reality Lab; NYSCEDII
Design and Virtual Prototypes
Model Factories and Plants
Simulate Manufacturing
Study Human Factors
Visualize New Products
Industries: Auto, Aviation,  Space, Components, Process, Pharmaceutical, Movie
Peace Bridge
(CCR / IBC Digital / UB VR Lab)
International Crossing (USA/Canada)
Existing Bridge: Old (75yrs) & Small (3 lanes)
Existing USA Plaza: Small & Poor Design
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
Education, Outreach, and Training
High-School Summer Program
Graduate Certificate Program in Computational Science
Courses in High-Performance Computing
Regional Relationships
Brockport
Geneseo
Training
IBM SP, SGI O2K, MPI, Viz
ACA99 Workshop
Open Houses (Internal and External)
Computational Science
Focuses on Scientific Problems
Impact (Simulation & Modeling)
Bioinformatics qIndustrial Design
CFD qPhotonics
Pharm. Drug Design qEnvironmental Science
Graduate Certificate in     Computational Science & Engineering
Requires 15 Credits (5 Courses)
Requires a Two-Semester Course in HPC
Combines Computational Methods with Disciplinary Work
Cooperative between CCR and
Mathematics
Chemical Engineering
Physics
Mechanical & Aerospace Engineering
Computer Science & Engineering
HPC I & II
High Performance Computing I: Parallel Architectures, MPI, OpenMP, BLAS, Linear Algebra Libraries.
High Performance Computing II: Applications – Monte Carlo, MD, Finite Elements, Finite Differences, FFTs.
First Year: 25 Students
CCR on the Road
Visual Outreach
CCR & Albany Collaboration
Cluster Computing Course
Computational Science Classes
Computational Science Research
Real-Time Simulation & Modeling
Infrastructure
Distributed Cluster Computing Environments
Collaboratories/Meeting Environments
Networking (?) – multiple OC12 lines
Contact Information
www.ccr.buffalo.edu
www.hwi.buffalo.edu/SnB
miller@{ccr,cse,hwi}.buffalo.edu