1. Minority-Serving Institutions Cyberinfrastructure Institute Welcome to TeraGrid Scott Lathrop, TeraGrid Director of Education, Outreach and Training lathrop@mcs.anl.gov University of Chicago and Argonne National Laboratory January 30, 2006

2. TeraGrid Objectives Deep Science: Enabling Terascale Science –Make Science More Productive through an integrated set of very-high capability resources. Wide Impact: Empowering communities –Bring TeraGrid capabilities to the broad science community. Open Infrastructure, Open Partnership –Provide a coordinated, general purpose, reliable set of services and resources.

3. Science and Engineering Impact Center for Analysis and Prediction of Storms predicted the occurrence of storms within 20 miles and 30 minutes of where and when they actually happened, and they did it 24 hours in advance. SPICE explores translocation of a DNA molecule through the nano-sized pore of a channel protein winning the SC HPC Analytics Challenge award. Compact Muon Solenoid Experiment is looking for the Higgs Boson particles thought to be responsible for mass, and to find supersymmetry, for String theory. Largest-ever simulation of blood flow through the human arterial tree. The simulation included 55 arteries and 27 bifurcation, accounting for every artery in the human body larger than two millimeters in diameter. Researchers running applications in nanoelectronics, nanomechanics, and bionanointerface submit jobs via the nanoHUB science gateway. NEMO3D models the largest quantum dot simulation ever—21 million atoms. Exploring the mechanism that controls when a gene triggers expression of a protein and when that expression is held back using Lactose metabolism in E. coli.

4. Education Impact NanoHub Harnesses TeraGrid for Education Nanohub is used by undergraduate and graduate students in dozens of courses. Linked Environments for Atmospheric Discovery (LEAD) Howard University and Millersville University are deploying education materials through LEAD. SC05-09 Education Programs Year-long professional development and curriculum development with educators across the country. National Computational Science Institute

5. Community Engagement Providing resources for research and education Collaborating on Science Gateway community portals Offering workshops, seminars, and conferences Involving 2- and 4-year colleges and universities including MSIs and EPSCoR schools Engaging non-traditional HPC communities including humanities, arts, and social sciences Connecting new sites and resources We need your help to drive the evolution of TeraGrid June 12-15 – TeraGrid All Hands Meeting Indianapolis, Indiana

6. TeraGrid Approach Heterogeneous Resources at Autonomous Resource Provider Sites Local Value-Added User Environment CTSS Computational Environment “Service” A single point of contact for user assistance. A common allocation process that includes a currency usable across all systems A common access service and environment on all platforms, allowing users to readily move from machine to machine. Learn Once; Run Anywhere. Services to assist users in harnessing the right TeraGrid platforms for each part of their work, ranging from tightly-coupled applications (MPICH-G2) to workflow (Condor-G, GridShell), file staging (GridFTP/RFT) and remote file I/O (GPFS), supported by common authentication (GSI), and in 2006 Web services via GT4. New capabilities driven by tight feedback loop with users via surveys and hands-on projects. Science gateways provide portals with common definitions, interfaces, desktop applications, peer grids.

7. TeraGrid User Portal –Information services: Documentation, training, real time consulting Notification (news, MOTDs, next downtimes, etc.) Resources info, calendars, cross-site run scheduling Network information –Access to data collections –Remote vis (interactive) –Account services Allocation requests Allocation management & usage reporting Accounts management –Interactive services Job launching File transfers Linear workflow Data mining Provides user capabilities in one place:

8. ANL/UCIUNCSAORNLPSCPurdueSDSCTACC Computational Resources Itanium 2 (0.5 TF) IA-32 (0.5 TF) Itanium2 (0.2 TF) IA-32 (2.0 TF) Itanium2 (10.7 TF) SGI SMP (7.0 TF) Dell Xeon (17.2TF) IBM p690 (2TF) Condor Flock (1.1TF) IA-32 (0.3 TF) XT3 (10 TF) TCS (6 TF) Marvel (0.3 TF) Hetero (1.7 TF) IA-32 (11 TF) Itanium2 (4.4 TF) Power4+ (15.6 TF) Blue Gene (5.7 TF) IA-32 (6.3 TF) Online Storage20 TB32 TB1140 TB1 TB300 TB26 TB1400 TB50 TB Mass Storage1.2 PB5 PB2.4 PB1.3 PB6 PB2 PB Data Collections 5 Col. >3.7 TB URL/DB/ GridFTP > 30 Col. URL/SRB/DB/ GridFTP 4 Col. 100GB-6TB SRB/Portal/ OPeNDAP >70 Col. >1 PB GFS/SRB/ DB/GridFTP 4 Col. 2.35 TB SRB/Web Services/ URL InstrumentsProteomics X-ray Cryst. SNS and HFIR Facilities Visualization Resources RI: Remote Interact RB: Remote Batch RC: RI/Collab RI, RC, RB IA-32, 96 GeForce 6600GT RB SGI Prism, 32 graphics pipes; IA-32 RI, RB IA-32 + Quadro4 980 XGL RB IA-32, 48 Nodes RBRI, RC, RB UltraSPARC IV, 512GB SMP, 16 gfx cards TeraGrid Resources Over 100 TeraFlops in Computing Resources

9. Science Gateways – Portals Tailored to Science Community Needs Increasing investment by communities to address their cyberinfrastructure needs –TeraGrid capabilities –Resources –Users – from expert to K-12 –Software stacks, policies Three common forms: –Web-based Portals –Application programs running on users' machines accessing services in TeraGrid –Coordinated access points enabling users to move seamlessly between TeraGrid and other grids. Workflow Composer

10. Current Science Gateways Science Gateway PrototypeDiscipline Linked Environments for Atmospheric Discovery (LEAD) Atmospheric National Virtual Observatory (NVO)Astronomy Network for Computational Nanotechnology (NCN) and “nanoHUB” Nanotechnology Open Life Sciences GatewayBiomedicine and Biology Biology and Biomedical Science GatewayBiomedicine and Biology Neutron Science Instrument GatewayPhysics Grid Analysis EnvironmentHigh-Energy Physics Transportation System Decision SupportHomeland Security Groundwater/Flood ModelingEnvironmental Science Grid [GrPhyN/ivDGL/Grid3]Multiple

11. Gateways Under the Hood: LEAD, Workflows and Web Services Providing tools that are needed to make accurate predictions of tornados and hurricanes Data exploration and Grid workflow

12. Neutron Science Gateway 17 instruments Users worldwide get “beam time” Need access to their data and post processing capabilities

13. Data Collections Instruments & Sensors Colleagues Data Collections Science/Education Portal

14. Indiana University National Center for Supercomputing Applications Oak Ridge National Laboratory Pittsburgh Supercomputing Center Purdue University San Diego Supercomputer Center Texas Advanced Computing Center The University of Chicago / Argonne National Laboratory TeraGrid Resource Providers

15. Benefits to MSICI 2 comprehensive cyberinfrastructure to enable discovery in science and engineering access to advanced computing systems, vast data collections, and remote instruments and sensor arrays education and mentoring programs to connect and broaden scientific communities

16. RequestingTeraGrid Allocations The Development Allocations Committee (DAC) accepts requests to develop applications, to experiment with TeraGrid platforms, or to use TeraGrid systems as part of classroom instruction. The MSICI 2 may apply to DAC for a community allocation to simplify access to TeraGrid resources.

17. Participate in Education Programs Professional development for and with faculty and teachers Development and dissemination of resources including software, curricular materials, and lesson plans Mentoring of students in science, technology, engineering, math SC05-09 Education Programs –TeraGrid Team is promoting a multi-year Education Program –Provide continuity and sustained integration of computational science education within undergraduate education Partnerships to leverage successful programs including: –National Computational Science Institute –Computational Science Education Reference Desk - NSDL –Engaging People in Cyberinfrastructure –Minority Serving Institution Network –Open Science Grid –Global Grid Forum

18. SC05-09 Education Programs Year-long, multi-year Education Programs for sustained integration of HPC and computational science into undergraduate science, technology, engineering and mathematics (STEM) classrooms Faculty, administrators, and students across STEM fields with emphasis on 2-and4-year MSIs and EPSCoR schools Secondary teachers collaborating with faculty Hands-on experiences for the faculty and students at SC Week-long regionally distributed summer workshops for professional development and curriculum development Institutional visits to participating institutions throughout the year to support teaching, learning, and sustained change National dissemination via NSDL, publications, textbooks, and presentations http://development.shodor.org/~dtanase/ncsi2/map8.php

19. Training Opportunities for You Hands-on training on topics from introductory to advanced applications of grid computing. Training venues include live workshops, Access Grid sessions, and on-line tutorials Coordination of training opportunities across TeraGrid and other national programs –NSF Middleware Initiative (NMI) –National Microbial Pathogen Data Resource (NMPDR) –Cyberinfrastructure Partnerships (CIP)

20. Connecting to TeraGrid Procedures for adding sites to TeraGrid are being developed Sites run Coordinated TeraGrid Software and Services (CTSS) for interoperability Aspects to Consider –Providing community resources –Support for users –Allocations of resources –Network capacity

21. For More Information Scott Lathrop lathrop@mcs.anl.gov www.teragrid.org www.eotepic.org www.computationalscience.org sc06.supercomp.org www.opensciencegrid.org

22. Gateways Under the Hood: Open Life Science Gateway and Web Services OLSG integrates four components: –Tools from National Microbial Pathogen Data Resource (http://www.nmpdr.org) and TheSeed (http://theseed.uchicago.edu/FIG/index.cgi)http://www.nmpdr.orghttp://theseed.uchicago.edu/FIG/index.cgi –Open bioinformatics tools and data –Web Services –TeraGrid resources Providing: –Web-based access for account administration, trivial access to resources, and documentation. –Web service based access to tools, including: Taverna, Kepler, other workflow tools Microsoft Development Environment Open Source Web Service Toolkits: – SOAP::Lite [perl], ZSI [python], Apache Axis [c/java] Bioinformatics toolkits such as BioPerl and BioPython –Data access TeraGrid presentation requested at for February NIH meeting http://lsgw.mcs.anl.gov/

23. Flood Modeling/Homeland Security Gordon Wells, UT; David Maidment, UT; Budhu Bhaduri, ORNL Large-scale flooding along Brays Bayou in central Houston triggered by heavy rainfall during Tropical Storm Allison (June 9, 2001) caused more than $2 billion of damage.