Center for Computational Research
| Russ Miller | |
| Director, Center for Computational Research | |
| Supercomputing | |||
| 9 Teraflops Aggregate Compute Capacity | |||
| www.gapcon.com: | |||
| 6th Worldwide (JAMSTEC, LLNL, NSA, IBM, LANL) | |||
| #1 Academia | |||
| High-End Visualization | |||
| Scientific Visualization | |||
| Urban Planning | |||
| Education/Outreach/Training | |||
| H.S. Summer Program | |||
| Hosts Meetings/Provides Tours | |||
| Work with Local Industry & Local Colleges | |||
| Wide-Variety of Degree Programs | |||
| Support/Expand HPC at UB | ||
| 90 Research Groups in 25 Depts | ||
| Leverage $300K NSF Grant ̃ | ||
| $46M Vendor Donations | ||
| $30M Equipment | ||
| $42M Grants (Peer-Reviewed) | ||
| Funding | ||
| NSF, NIH, NIMA, EPA, Keck, Sloan | ||
| NYS, SUNY, UB | ||
| IBM, SGI, Sun, DELL, HP (Compaq), Nortel, Myricom | ||
| Dell Linux Cluster | ||
| 5.8TF Peak; 4036 Processors (PIII 1.2GHz + P4 2.4GHz) | ||
| 2TB RAM; 160TB Disk | ||
| 16TB RAID | ||
| Dell Linux Cluster | ||
| 2.9TF Peak; 304 Processors (P4 2.4GHz) | ||
| Myrinet2000 | ||
| 600GB RAM; 40TB Disk | ||
| HP/Compaq SAN (Oct, 2002) | ||
| 25TB Disk | ||
| 250TB Tape | ||
| HP/Compaq 1TF EV7 Alpha System (3/03) | ||
| Fakespace ImmersaDesk | |
| SGI 3300W | |
| Portable Systems | |
| Access Grid Node | |
| Tiled Display Wall | |
| Onyx2 / Onyx300 |
| Groundwater Flow Modeling | ||
| Predict contaminant flow in groundwater & possible migration into streams and lakes. | ||
| Geophysical Mass Flows | ||
| Study of geophysical mass flows for risk assessment of lava flows and mudslides. | ||
| Astrophysics | ||
| Determine whether interacting astrophysical jets in dense star environments can generate turbulence in surrounding medium | ||
| Bioinformatics | ||
| Protein Folding (Computer simulations determine the 3D structure of proteins.) | ||
| Pharmacology | ||
| Computational Chemistry | ||
| Algorithm Development & Simulations | ||
| Fluid Dynamics | ||
| Modeling turbulent flows and combustion to improve design of chemical reactors, turbine engines, and airplanes. | ||
| Institute of Lasers, Photonics, and Biophotonics (www.photonics.buffalo.edu) | ||
| MEMS, Data Storage, Chem/Bio Sensors, Nanotechnology, Spintronics | ||
| National Center for Geographic Information Analysis (www.geog.buffalo.edu/ncgia) | ||
| UB, UC Santa Barbara, Univ. of Maine | ||
| Center for Multisource Information Fusion (www.infofusion.buffalo.edu) | ||
| Center for Excellence in Document Analysis and Recognition (www.cedar.buffalo.edu) | ||
| Database and Multimedia Laboratory (www.cse.buffalo.edu/DBGROUP/index.html) | ||
| Content based image retrieval | ||
| Advanced data mining algorithm development | ||
| Center of Excellence in Bioinformatics (www.bioinformatics.buffalo.edu) | ||
| NSA Center of Excellence in Information Systems Assurance Research and Education (cyberterrorism) | ||
| Laboratory for Advanced Network Design (www.cse.buffalo.edu/faculty/qiao/) | ||
| Master’s Program in Bioinformatics (Sloan) | ||
| Advanced Degrees under development | ||
| Pharmacometrics, Biophotonics, Computational Chemistry, Molecular Biology | ||
| School of Informatics (AT&T curr. dev.) | ||
| UB-HWI Dept. of Structural Biology | ||
| Complementary Degrees | ||
| Canisius College and Niagara University | ||
| Dynamics of Hemoglobin (Example) | ||
| 50 Days of Processing on 16 Processors (800 CPU Days) | ||
| Key | ||
| White – Heme Groups | ||
| Red – Phe97 | ||
| Red – Oxygen (in the subunit at bottom) | ||
| Green – His 69 and 101 | ||
| Blue – Tyr 72 | ||
| Cyan (Ball) – Water Molecules | ||
| Yellow – Helix E/F | ||
| Interest | ||
| Flip of the Phe97 ring at top | ||
| Water movement around Phe97 | ||
| Heme-heme relative movement | ||
| miller@buffalo.edu | |
| www.ccr.buffalo.edu | |