1. Russ Miller Center for Computational Research Computer Science & Engineering SUNY-Buffalo Hauptman-Woodward Medical Inst CCR User Advisory Board Meeting January 2005 University at Buffalo The State University of New York

2. University at BuffaloThe State University of New York CCR Center for Computational Research Organization Internal Advisory Committee  Innus, Nowak, Pitman, Trevisan Education/Outreach  Pitman, Furlani Colloquia, Training, User Services  Patra, Furlani, Hu, Jones, King Allocations  Coppens, Jankovic, Patra User Advisory Board  Kofke, Bisantz, Bursik, Coppens, DesJardin, Gaile, Halfon, Han, Jain, Jankovic, Lund, Markelz, Patra, Rabideau, Sheridan, Szyperski, Weeks, Yao, Zubrow  Includes Visualization Personnel (below) Visualization  Pape, Anstey, Hoffman, Kesavadas, Paley

3. University at BuffaloThe State University of New York CCR Center for Computational Research User Advisory Board Input on Hardware Requirements/Expenditures  Compute Systems (processors, memory, disk, interconnects)  Storage Systems (latency, throughput, size, backups)  Grid Infrastructure (applications, local/global access)  Visualization (compute, display, storage, frame rates) Input on Software  General Audience (queueing, compilers, debugging, parallel)  Narrow Audience (domain specific packages) Input on Allocation of Resources  Hardware (cycles)  Software (floating licenses)  Personnel (time) Input on Allocation of Funds Acquisition of Funds  Grants, Contracts, Lobbying

4. University at BuffaloThe State University of New York CCR Center for Computational Research 21 st Century University Embrace digital data-driven society Empower students to compete in knowledge-based economy Support research, scholarship, education, and community outreach Deliver high-end cyberinfrastructure to enable efficient  Collection of data  Management/Organization of data  Analysis of data  Visualization of data

5. University at BuffaloThe State University of New York CCR Center for Computational Research CCR Mission Statement In areas that require high-end computing, storage, networking (grid), and visualization:  Enable Research and Scholarship  Provide Education, Outreach and Training  Provide Technology Transfer to WNY community In order to enable and provide critical high-end infrastructure  CCR staff must be knowledgeable of HPC  CCR staff must be involved with the HPC community  CCR staff must work at the leading edge of HPC

6. University at BuffaloThe State University of New York CCR Center for Computational Research Center for Computational Research 1999-2005 Snapshot Raptor Image High-Performance Computing and High-End Visualization  ~100 Research Groups in 37 Depts  13 Local Companies  10 Local Institutions External Funding ($300M+)  $169M External Funding  $18M as lead  $151M in support  $144M Vendor Donations Total Leveraged WNY: $0.5B Deliverables  400+ Publications 1/2003  Software, Media, Algorithms, Consulting, Training, CPU Cycles…

7. University at BuffaloThe State University of New York CCR Center for Computational Research Return on Investment 1998-2005 Millions White House: “Give HPC Priority” “While the importance of each networking and IT research and development program areas continues, high-end computing and cyberinfrastructure R&D should be given higher relative priority due to the potential of each in furthering progress across a broad range of scientific and technological application areas…” UB’s total investment in CCR: $7M UB’s ROI: $300M

8. University at BuffaloThe State University of New York CCR Center for Computational Research CCR-Supported Research at UB Physical Sciences  Autschbach (Chem), Coppens (Chem), Errington (CBE), Furlani (CCR), Han (Physics), Jones (CCR), King (Chem), Kinney (Physics), Kofke (CBE), Lund (CBE), Markelz (Physics), Ruckenstein (CBE), Sen (Physics), Swihart (CBE), Szyperski (Chem) Life Sciences  Almon (Biology), Andreadis (Chem Eng), Beal (CSE), DeTitta (Structural Biology), Halfon (Biochemistry), Gaile (Biostatistics), Hu (CCR), Hauptman (Structural Biology), Koffas (Chem Eng), Miller (CSE), Murphy (Medicine), Nowak (RPCI), Sullivan (Ophthalmology), Szyperski (Chem), Trevisan (Public Health), Weeks (Structural Biology), Willsky (Biochemistry), Zhang (CSE), Zhou (Physiology and Biophysics) Engineering  Atkinson (CSEE), Aref (CSEE), Bisantz (IE), Becker (Geology), Bucher (CCR), Bursik (Geology), Cartwright (EE), Dargush (CSEE), DesJardin (MAE), Flewelling (Geography), Green (CCR), Jankovic (CSEE), Jayaraman (CSE), Jones (CCR), Llinas (IE), Madnia (MAE), Nagi (IE), Patra (MAE), Pitman (Math), Qiao (CSE), Rabideau (CSEE), Reinhorn (CSEE), Sheridan (Geology), Singh (MAE), Upadhyaya (CSE), Zubrow (Anthropology) Scientific Visualization, Medical Imaging, Virtual Reality  Ansty (Media), Baker (Nuclear Med), Evans (Oral Bio), Geffan (Oral Bio), Hoffmann (Nuclear Med), Innus (CCR), Jones (CCR), Kesavadas (MAE), Lockwood (Neurology, Nuclear Med), Miletich (Nuclear Med), Pape (Media), Paley (Classics), Yao (Nuclear Med)

9. University at BuffaloThe State University of New York CCR Center for Computational Research Apex Bioinformatics System  Sun V880 (3), Sun 6800  Sun 280R (2)  Intel PIIIs  Sun 3960: 7 TB Disk Storage  UB: Off Maint & Mng Srv HP/Compaq SAN  75 TB Disk; 190 TB Tape  64 Alpha Processors (400 MHz)  32 GB RAM; 400 GB Disk  UB: Outyear Costs not Covered Dell Linux Cluster: #187  #368  off  4036 Processors (PIII 1.2 GHz)  2TB RAM; 160TB Disk; 16TB SAN IBM BladeCenter Cluster: #106  #152  532 P4 Processors (2.8 GHz)  5TB SAN Major Compute/Storage Resources Dell Linux Cluster (Joplin)  #22  #25  #38  #95  #123  600 P4 Processors (2.4 GHz)  600 GB RAM; 40 TB Disk; Myrinet  Maintenance Expires 9/2005 SGI Altix3700 (Lennon/McCartney)  64 Processors (1.3GHz ITF2)  256 GB RAM  2.5 TB Disk SGI Intel Linux Cluster (Nash)  150 PIII Processors (1 GHz)  Myrinet SGI Origin3800 (Hillman)  64 Processors (400 MHz)  32 GB RAM; 400 GB Disk IBM RS/6000 SP (Stills): 78 Processors Sun Cluster (Young): 80 Processors

10. University at BuffaloThe State University of New York CCR Center for Computational Research CCR Visualization Resources Fakespace ImmersaDesk R2  Portable 3D Device Tiled-Display Wall  20 NEC projectors: 15.7M pixels  Screen is 11’  7’  Dell PCs with Myrinet2000 Access Grid Nodes (2)  Group-to-Group Communication  Commodity components SGI Reality Center 3300W  Dual Barco’s on 8’  4’ screen

11. University at BuffaloThe State University of New York CCR Center for Computational Research Machine Utilization 100 User Groups in 37 Departments

12. University at BuffaloThe State University of New York CCR Center for Computational Research CCR Research & Projects Ground Water Modeling Computational Fluid Dynamics Molecular Structure Determination via Shake-and-Bake Protein Folding Digital Signal Processing Grid Computing Computational Chemistry Bioinformatics Real-time Simulations and Urban Visualization Accident Reconstruction Risk Mitigation (GIS) Medical Visualization High School Workshops Virtual Reality

13. University at BuffaloThe State University of New York CCR Center for Computational Research ACDC Data Grid Overview (Grid-Available Data Repositories ) 300 Dual Processor 2.4 GHz Intel Xeon RedHat Linux 7.3 38.7 TB Scratch Space Joplin: Compute Cluster 75 Dual Processor 1 GHz Pentium III RedHat Linux 7.3 1.8 TB Scratch Space Nash: Compute Cluster Crosby: Compute Cluster SGI Origin 3800 64 - 400 MHz IP35 IRIX 6.5.14m 360 GB Scratch Space 9 Dual Processor 1 GHz Pentium III RedHat Linux 7.3 315 GB Scratch Space Mama: Compute Cluster 16 Dual Sun Blades 47 Sun Ultra5 Solaris 8 770 GB Scratch Space Young: Compute Cluster Note: Network connections are 100 Mbps unless otherwise noted. 182 GB Storage 100 GB Storage 56 GB Storage 100 GB Storage 70 GB Storage Network Attached Storage 1.2 TB Storage Area Network 75 TB 136 GB Storage CSE Multi-Store 2 TB 4 Processor Dell 6650 1.6 GHz Intel Xeon RedHat Linux 9.0 66 GB Scratch Space ACDC: Grid Portal

14. University at BuffaloThe State University of New York CCR Center for Computational Research 300 Dual Processor 2.4 GHz Intel Xeon RedHat Linux 7.3 38.7 TB Scratch Space Joplin: Compute Cluster 75 Dual Processor 1 GHz Pentium III RedHat Linux 7.3 1.8 TB Scratch Space Nash: Compute Cluster 4 Processor Dell 6650 1.6 GHz Intel Xeon RedHat Linux 9.0 66 GB Scratch Space ACDC: Grid Portal Crosby: Compute Cluster SGI Origin 3800 64 - 400 MHz IP35 IRIX 6.5.14m 360 GB Scratch Space 9 Dual Processor 1 GHz Pentium III RedHat Linux 7.3 315 GB Scratch Space Mama: Compute Cluster 16 Dual Sun Blades 47 Sun Ultra5 Solaris 8 770 GB Scratch Space Young: Compute Cluster 182 GB Storage 100 GB Storage 56 GB Storage 100 GB Storage 70 GB Storage Network Attached Storage 1.2 TB Storage Area Network 75 TB 136 GB Storage CSE MultiStore 40 TB ACDC Data Grid Overview (Grid-Available Data Repositories )

15. University at BuffaloThe State University of New York CCR Center for Computational Research ACDC-Grid Collaborations Grid3+ Collaboration / iVDGL Member Open Science Grid Founding Participant  Monitoring & Information Services, co-chair  Security, Tech Working Group Participant WNY Grid Initiative Grid-Lite  HP Labs Collaboration Innovative Laboratory Prototype  Dell Collaboration NE Bio-Grid  IBM Research Collaboration  MIT, Harvard Grid-Based Visualization  SGI Collaboration

16. University at BuffaloThe State University of New York CCR Center for Computational Research CCR by the Numbers 15  13? Technical Staff  Associate Director  Computational Scientist (4)  Database Administrator  Scientific Visualization  System Administration (5)  Storage Area Network Admin  Programmer  Multimedia 3 Support Staff  Financial/Contracts (2)  Receptionist Annual Personnel: $1.2M Annual Operating: $0.1M Annual Expend: ~$2.4M Opportunistic Funding Model Decommissioned  Crosby, Stills, Young Joplin/Nash Upgrades due 7/2003  $2.3M funds avail; not allocated SGI Altix installed 5/2004 Visualization Equipment  $0.8M+ from NYS; not allocated BioACE off maintenance HP SAN available  Users responsible for outyear costs Space for Viz available  not allocated

17. University at BuffaloThe State University of New York CCR Center for Computational Research Thanks for agreeing to participate in CCR’s UAB!

18. University at BuffaloThe State University of New York CCR Center for Computational Research www.ccr.buffalo.edu