Minority-Serving Institutions Cyberinfrastructure Institute Welcome to TeraGrid

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 Compact Muon Solenoid Experiment is looking for the Higgs Boson particles thought to be responsible for mass, and to find supersymmetry, for String theory. 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. 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 Linked Environments for Atmospheric Discovery (LEAD) Nanohub is used by undergraduate and graduate students in dozens of courses. 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 CTSS Computational Environment “Service” Local Value-Added User Environment Heterogeneous Resources at Autonomous Resource Provider Sites • 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. 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 TeraGrid User Portal Provides user capabilities in one place:

8. TeraGrid Resources Over 100 TeraFlops in Computing Resources

9. Science Gateways – Portals Tailored to Science Community Needs Workflow Composer • 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.

10. Current Science Gateways

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

13. 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

14. Benefits to MSICI2 • 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

15. 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 MSICI2 may apply to DAC for a community allocation to simplify access to TeraGrid resources.

16. Participate in Education Programs • Professional developmentfor and with faculty and teachers • Development and dissemination of resourcesincluding software, curricular materials, and lesson plans • Mentoring of studentsin 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 programsincluding: • National Computational Science Institute • Computational Science Education Reference Desk - NSDL • Engaging People in Cyberinfrastructure • Minority Serving Institution Network • Open Science Grid • Global Grid Forum

17. 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

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

19. 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

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

21. 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) • 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/