1. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation Science Gateways and their tremendous potential for science Nancy Wilkins-Diehr TeraGrid Area Director for Science Gateways San Diego Supercomputer Center wilkinsn@sdsc.edu NEESit Summer Institute July 30 – August 2, 2007 La Jolla, California

2. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation Overview What are Science Gateways? What is TeraGrid? Why TeraGrid and Gateways? Examples of Success How Does This Help Me?

3. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation Phenomenal Impact of the Internet on Scientific Research Only 15 years since the release of Mosaic!  Very rapid changes in how science is conducted  1988, National Center for Biotechnology Information BLAST server, search results sent by email, still a working portal today  1992 Mosaic web browser developed  1995 “International Protein Data Bank Enhanced by Computer Browser”  2004 TeraGrid project director Rick Stevens recognized growth in scientific portal development and proposed the Science Gateway Program  Ensuing explosion of digital information  Need for analysis in a growing number of scientific areas

4. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation Very Rapid Changes in Web Usability  First generation  Static Web pages  Second generation  Dynamic, database interfaces, cgi  Lacked the ease of use of desktop applications  Third generation  True networked and internetworked applications that enable dynamic two- way, even multi-way, communication and collaboration on the Web.  These new applications will enable remarkable new uses of the Web in the organizational workplace and on the Internet  Fourth generation  Web 2.0  Source: Screen Porch White Paper, The University of Western Ontario (1998)

5. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation Gateways are a Natural Extension of Internet Developments  3 common types of gateway  Web portal with users in front and services in back  Client server model where application programs running on users' machines (i.e. workstations and desktops) and accesses services  Bridges across multiple grids, allowing communities to utilize both community developed grids and shared grids  Continued rapid changes ahead, must be adaptable, gateways can provide some nimbleness

6. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation Arden Bement Senate Testimony, April 19, 2007  “Virtual environments have the potential to enhance collaboration, education, and experimentation in ways that we are just beginning to explore.”  “In every discipline, we need new techniques that can help scientists and engineers uncover fresh knowledge from vast amounts of data generated by sensors, telescopes, satellites, or even the media and the Internet.”  Gateways are a terrific example of interfaces that can support transformative science

7. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation Gateway Idea Resonates with Scientists  Capabilities provided by the Web are easy to envision because we use them in every day life  Researchers can imagine scientific capabilities provided through a familiar interface  Groups resonate with the fact that gateways are designed by communities and provide interfaces understood by those communities  But also provide access to greater capabilities on the back end without the user needing to understand the details of those capabilities  Scientists know they can undertake more complex analyses and that’s all they want to focus on  But this seamless access doesn’t come for free. It all hinges on very capable developers

8. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation Tremendous Opportunities Using the Largest Shared Resources - Challenges too! What’s different when the resource doesn’t belong just to me? Resource discovery Accounting Security Proposal-based requests for resources (peer-reviewed access) Code scaling and performance numbers Detailed justification of resource request Citations, metrics of success Tremendous benefits at the high end, but even more work for the developers Potential impact on science is huge Small number of developers can impact thousands of scientists But need a way to train and fund those developers and provide them with appropriate tools

9. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation What is the TeraGrid?  NSF-funded facility to offer high end compute, data and visualization resources to the nation’s academic researchers 300+ Teraflops Computation 20+ Petabytes Storage Dedicated cross-country network Visualization

10. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation TeraGrid Resources Available to Academic Researchers at No Cost TeraGrid creates integrated, persistent, and pioneering computational resources that significantly improve our nation’s ability and capacity to gain new insights into our most challenging research questions and societal problems Proposal-based access, researchers can use resources at no cost Targeted support available as well

11. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation Implementing Common Gateway Requirements Web Services GT4 deployment, identification of remaining capabilities Information services, WebMDS Auditing Need to retrieve job usage info on production resources GRAM audit deployed in test mode in September, inclusion in CTSSv4 Community Accounts Policy finalized, security approaches being tested by RPs Attribute-based authentication testing Allocations Changes in allocation procedures, the mechanisms used to evaluate science impact, and models for identity management, authentication and authorization that are more tuned to virtual organizations. Scheduling Metascheduling RAT On-demand via SPRUCE framework Outreach Talks, Schools/workshops (NVO, GISolve), major project demonstrations (LEAD) SURA, HASTAC, GEON, CI-Channel, SC, Grace Hopper, MSI-CI2, Lariat, Science Workflows and On Demand Computing for Geosciences Workshop Primer Living document in wiki, provides up-to- date overview and instructions for new gateway developers (“how to make your portal a TeraGrid science gateway”)

12. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation Gateways are growing in numbers Success in a variety of domains 10 initial projects as part of TG proposal >20 Gateway projects today No limit on how many gateways can use TG resources Prepare services and documentation so developers can work independently Open Science Grid (OSG) Special PRiority and Urgent Computing Environment (SPRUCE) National Virtual Observatory (NVO) Linked Environments for Atmospheric Discovery (LEAD) Computational Chemistry Grid (GridChem) Computational Science and Engineering Online (CSE- Online) GEON(GEOsciences Network) Network for Earthquake Engineering Simulation (NEES) SCEC Earthworks Project Network for Computational Nanotechnology and nanoHUB GIScience Gateway (GISolve) Biology and Biomedicine Science Gateway Open Life Sciences Gateway The Telescience Project Grid Analysis Environment (GAE) Neutron Science Instrument Gateway TeraGrid Visualization Gateway BIRN Gridblast Bioinformatics Gateway Earth Systems Grid Astrophysical Data Repository (Cornell) Many others interested SID Grid HASTAC

13. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation GEON Developing cyberinfrastructure in support of an environment for integrative geoscience research IT advances can significantly impact how geoscientists conduct their daily research activities Web/grid services, TeraGrid Semantic data integration Information management and ontologies Tremendous opportunities to conduct novel and efficient research in many areas of the geosciences SYNSEIS – SYNthetic SEISmogram generation tool Helps seismologists calculate synthetic 3D regional seismic waveforms Accesses distributed data centers and large computational clusters Users only need to have access to the Internet and a browser. The entire system is web-based and is accessible from the GEONgrid portal web page.GEONgrid portal web page

14. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation GEON: LiDAR (Light Distance And Ranging) data Capable of generating digital elevation models (DEMs) more than an order of magnitude more accurate than those currently available Opportunity for geologists to study the processes the shape the earth’s surface at resolutions not previously possible. Distribution, interpolation and analysis of large LiDAR datasets, which frequently exceed a billion data-points, present significant computational challenges. GEON tools begin with a user- defined subset of data and ends with download and visualization of interpolated surfaces and derived products.

15. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation  Southern California Earthquake Center  Philip Maechling  SCEC IT Architect  Involves 500+ scientists at 55 institutions worldwide  Focuses on earthquake system science using Southern California as a natural laboratory  Translates basic research into practical products for earthquake risk reduction

16. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation SCEC Earthworks Science Gateway Wave propagation simulations for a variety users made possible Seismological researchers Grad students Public interest in resulting data product Configure earthquake wave propagation simulations. Submit simulation for execution as workflow. Workflow executes across distributed grid environment including SCEC, USC HPCC, and TeraGrid Monitoring of workflow status Data products registered with metadata into digital library Data discovery tools using metadata searches Data Retrieval for data products of interest Basic Capabilities

17. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation One of the Famous SCEC Movies  http://visservices.sdsc.edu/projects/scec/terashake/movies/ TeraShakeNorthAsTopo.mov http://visservices.sdsc.edu/projects/scec/terashake/movies/ TeraShakeNorthAsTopo.mov

18. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation NCAR Earth System Grid Integrates supercomputers with large-scale data and analysis servers located at numerous national labs and research centers to create a powerful environment for next generation climate research User registration, authorization controls, and metrics tracking CCSM model source, initialization datasets, post-processing codes, and analysis and visualization tools Community Climate System Model, allows data exchange between components – land, sea, ice, atmosphere Prototypes of model- submission environments Eventually real-time tracking of model status along with references to available output datasets.

19. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation

20. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation Linked Environments for Atmospheric Discovery (LEAD) Providing tools that are needed to make accurate predictions of tornados and hurricanes Meteorological data Forecast models Analysis and visualization tools Data exploration and Grid workflow

21. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation LEAD Inspires Students “Dr. Sikora:Attached is a display of 2- m T and wind depicting the WRF's interpretation of the coastal front on 14 February 2007. It's interesting that I found an example using IDV that parallels our discussion of mesoscale boundaries in class. It illustrates very nicely the transition to a coastal low and the strong baroclinic zone with a location very similar to Markowski's depiction. I created this image in IDV after running a 5-km WRF run (initialized with NAM output) via the LEAD Portal. This simple 1-level plot is just a precursor of the many capabilities IDV will eventually offer to visualize high-res WRF output. Enjoy!” Eric (email, March 2007)

22. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation NanoHub Explosive User Growth Nanohub attracts thousands of users Over 2M hits in last month In past 12 months Over 21,000 users Almost 175,000 simulation runs Very full-featured Simulation tools Research proceedings Curricula content Collaboration spaces Nanohub is used to complete coursework by undergraduate and graduate students in dozens of courses at 10 universities.

23. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation GridChem - a desktop application gateway Computational Chemistry Grid (CCG) science gateway GridChem has been using TeraGrid in production since April 2006 Currently services over 100 users and has delivered hundreds of thousands of CPU hours Team expects a significant increase in usage as new applications are deployed

24. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation BIRN uses SSHFS to mount TeraGrid filesystems locally 220TB through CIS portal using autofs, samba, smbwebclient. CIS has 87TB of local storage. /cis/net lists network drives. Source: Anthony Kolasny, Johns Hopkins University

25. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation CReSIS (Center for Remote Sensing of Ice Sheets) Awarded CI-TEAM funding to build a Polar Gateway International Polar Year 2007- 2008 CReSISGrid Build a TeraGrid Science Gateway Provide broad-based educational and training activity in Cyberinfrastructure for remote sensing and ice sheet dynamics MSI impact through leadership of Linda Hayden, Elizabeth City State University

26. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation Tremendous Potential for Gateways  In only 15 years, the Web has fundamentally changed human communication  Science Gateways can leverage this amazingly powerful tool to:  transform the way scientists collaborate  tackle the toughest problems independent of location  impact the amount of science that can result from each project  influence the public’s perception of science  High end resources can have a profound impact  The future is very exciting!  Web 2.0  Application Hosting  Gateway-in-a-box

27. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation Would development of a gateway help your research?  Researchers using defined sets of tools in different ways  Same executables, different input  Datasets  Workflow creation  Common data formats  gateways@teragrid.org mailing list gateways@teragrid.org  Email majordomo@teragrid.orgmajordomo@teragrid.org  in body  Biweekly telecons to get advice from others  www.teragrid.org www.teragrid.org  Details about current gateways  Materials from June full day tutorial at TG07

28. NEES Cyberinfrastructure Center at the San Diego Supercomputer Center, UCSD George E. Brown, Jr. Network for Earthquake Engineering Simulation Thank you for your attention Time for LUNCH! Nancy Wilkins-Diehr, wilkinsn@sdsc.edu wilkinsn@sdsc.edu