1. Sept 2008 OSG Engagement VO, RENCI 1 Open Science Grid Embedded Immersive Engagement for Cyberinfrastructure on the Open Science Grid John McGee – mcgee@renci.org Renaissance Computing Institute University of North Carolina, Chapel Hill

2. Sept 2008 OSG Engagement VO, RENCI 2 Open Science Grid Context: Evolution of Projects 2 19992000200120022005200320042006200720082009 PPDG GriPhyN iVDGL Trillium Grid3 OSG (DOE) (DOE+NSF) (NSF)

3. Sept 2008 OSG Engagement VO, RENCI 3 Open Science Grid OSG Members - Universities - National laboratories and computing centers - Scientific collaborations - Grid projects and alliances OSG Consortium Meeting, August 2006 OSG welcomes new members, partners and collaborators. OSG members today represent:

4. Sept 2008 OSG Engagement VO, RENCI 4 Open Science Grid 4 Transform compute and data intensive science through a cross-domain self-managed national distributed cyberinfrastructure that Brings together campus and community Infrastructure and facilitating the needs of Virtual Organizations at all scales The OSG Vision

5. Sept 2008 OSG Engagement VO, RENCI 5 Open Science Grid The Open Science Grid OSG is a consortium of software, service and resource providers and researchers, from universities, national laboratories and computing centers across the U.S., who together build and operate the OSG project. The project is funded by the NSF and DOE, and provides staff for managing various aspects of the OSG. Brings petascale computing and storage resources into a uniform grid computing environment Integrates computing and storage resources from over 80 sites in the U.S. and beyond A framework for large scale distributed resource sharing addressing the technology, policy, and social requirements of sharing

6. Sept 2008 OSG Engagement VO, RENCI 6 Open Science Grid Using OSG Today Astrophysics Biochemistry Bioinformatics Earthquake Engineering Genetics Gravitational-wave physics Mathematics Nanotechnology Nuclear and particle physics Text mining And more…

7. Sept 2008 OSG Engagement VO, RENCI 7 Open Science Grid Virtual Organizations (VOs) The OSG Infrastructure trades in Groups not Individuals Regional Grid Image courtesy: UNM Project HPC Resource Image courtesy: UNM Campus Grid Image courtesy: UNM

8. Sept 2008 OSG Engagement VO, RENCI 8 Open Science Grid 8 VIRTUAL ORGANIZATIONS (2/1/07) Collider Detector at Fermilab (CDF) Compact Muon Solenoid (CMS) CompBioGrid (CompBioGrid) D0 Experiment at Fermilab (DZero) Dark Energy Survey (DES) Distributed Organization for Scientific and Academic Research (DOSAR) Engagement (Engage) Fermi National Accelerator Center (Fermilab) Functional Magnetic Resonance Imaging (fMRI) Geant4 Software Toolkit (geant4) Genome Analysis and Database Update (GADU) Georgetown University Grid (GUGrid) Great Plains Network (GPN) Grid Exerciser (GEx) (GridEx) Grid Laboratory of Wisconsin (GLOW) Grid Research and Education Group at Iowa (GROW) Group Researching Advances in Software Engineering at Buffalo (NYSGrid) Interactions in Understanding the Universe Initiative (i2u2) International Virtual Data Grid Laboratory (iVDGL) Laser Interferometer Gravitational-Wave Observatory (LIGO) nanoHUB Network for Computational Nanotechnology (NCN) (nanoHUB) Northwest Indiana Computational Grid (NWICG) Open Science Grid (OSG) OSG Monitoring Information System (MIS) OSG Operations Group (Ops) Sloan Digital Sky Survey (SDSS) Solenoidal Tracker at RHIC (STAR) United States ATLAS Collaboration (USATLAS) Non-physics Partner Grids VO crosses OSG & TeraGrid

9. Sept 2008 OSG Engagement VO, RENCI 9 Open Science Grid What OSG does/does-not provide The OSG Facility does not – – “Own” any compute (processing, storage and communication) resources – “Own” any middleware – Fund any site or VO administration/operation personnel – Make a “one size fits all”. The OSG Facility does – – Help sites join the OSG facility and enable effective guaranteed and opportunistic usage of their resources (including data) by remote users – Help VOs join the OSG facility and enable effective guaranteed and opportunistic harnessing of remote resources (including data) – Define interfaces which people can use. – Maintain and supports an integrated software stack that meets the needs of the stakeholders of the OSG consortium – Reach out to non-HEP communities to help them use the OSG – Train new users, administrators, and software developers

10. Sept 2008 OSG Engagement VO, RENCI 10 Open Science Grid

11. Sept 2008 OSG Engagement VO, RENCI 11 Open Science Grid Why should my University/Gov’t Lab facilitate (or drive) resource sharing? Because it is the right thing to do – Enables new modalities of collaboration – Enables new levels of scale – Democratizes large scale computing – Sharing locally leads to sharing globally – Better overall resource utilization – Funding agencies At the heart of the cyberinfrastructure vision is the development of a cultural community that supports peer-to- peer collaboration and new modes of education based upon broad and open access to leadership computing; data and information resources; online instruments and observatories; and visualization and collaboration services. Arden Bement CI Vision for 21 st Century introduction At the heart of the cyberinfrastructure vision is the development of a cultural community that supports peer-to- peer collaboration and new modes of education based upon broad and open access to leadership computing; data and information resources; online instruments and observatories; and visualization and collaboration services. Arden Bement CI Vision for 21 st Century introduction

12. Sept 2008 OSG Engagement VO, RENCI 12 Open Science Grid Engagement Mission 1.Facilitate University Campus CI deployment, and interconnect it with the national organizations 2.Help new user communities from diverse scientific domains adapt their computational systems to leverage OSG

13. Sept 2008 OSG Engagement VO, RENCI 13 Open Science Grid New User/Provider Issues OSG is a large and complicated entity with many moving parts. That’s simply what it takes! Big goals, high performing world class distributed infrastructure – A federation of like minded individuals and teams – Can seem very daunting to an individual researcher, especially for those not from physics/compSci, yet working to accomplish computational science OSG must appear to be well coordinated with a unified message, especially during early stage contact, prior to a plateau of buy-in/value recognition by new users/providers

14. Sept 2008 OSG Engagement VO, RENCI 14 Open Science Grid Embedding experts into research and campus infrastructure teams to bring specific applications onto OSG Build trusting relationships with researchers, students, campus IT leadership Recruit potential engagements via formal venues and the social networking activities of OSG staff Engagement Process

15. Sept 2008 OSG Engagement VO, RENCI 15 Open Science Grid Clemson Campus Condor Pool Machines in 27 different locations on Campus ~1,700 job slots >1.8M hours served in 6 months Users from Industrial and Chemical engineering, and Economics Fast ramp up of usage Accessible to the OSG through a gateway

16. 6,400 CPUs available Campus Condor pool backfills idle nodes in PBS clusters - provided 5.5 million CPU-hours in 2006, all from idle nodes in clusters Use on TeraGrid: 2.4 million hours in 2006 spent Building a database of hypothetical zeolite structures; 2007: 5.5 million hours allocated to TG http://www.cs.wisc.edu/condor/PCW2007/presentations/cheeseman_Purdue_Condor_Week_2007.ppt

17. Grid Laboratory of Wisconsin (GLOW) Computational Genomics, Chemistry Amanda, Ice-cube, Physics/Space Science High Energy Physics/CMS, Physics Materials by Design, Chemical Engineering Radiation Therapy, Medical Physics Computer Science 2003 Initiative, Six Initial GLOW Sites Diverse users with different deadlines and usage patterns

18. Users submit jobs to their own private or department scheduler as members of a group (e.g. “CMS” or “MedPhysics”)  Jobs are dynamically matched to available machines  Jobs run preferentially at the “home” site, but may run anywhere when machines are available  Computers at each site give highest priority to jobs from same group (via machine RANK) Crosses multiple administrative domains  No common uid-space across campus  No cross-campus NFS for file access Grid Laboratory of Wisconsin (GLOW)

19. Sept 2008 OSG Engagement VO, RENCI 19 Open Science Grid Date range: 2007-04-29 00:00:00 GMT - 2007-05-07 23:59:59 GMT

20. Sept 2008 OSG Engagement VO, RENCI 20 Open Science Grid Active Science Areas Biology Biochemistry Genetics Information and Library Science Coastal Modeling Economics Video Processing Earthquake Simulation Earth Sciences Energy Research Physics Molecular Dynamics 12 domains represented in current active engagements, including a couple of SCIDac projects

21. Sept 2008 OSG Engagement VO, RENCI 21 Open Science Grid Kuhlman: Biology Designing proteins that fold into specific structures and bind target molecules Millions of simulations lead to the creation of a few proteins in the wet- lab Brought to OSG’s attention by local campus research computing group that was being overwhelmed Assistant Professor and a lab of 5 graduate students http://www.isgtw.org/?pid=1000507 One protein can fold in many ways. This computationally designed protein switches between a zinc finger structure and a coiled-coil structure, depending on its environment.

22. For each protein we design, we consume about 5,000 CPU hours across 10,000 jobs,” says Kuhlman. “Adding in the structure and atom design process, we’ve consumed about 250,000 CPU hours in total so far.” Designing proteins in the Kuhlman Lab

23. Sept 2008 OSG Engagement VO, RENCI 23 Open Science Grid 16 member ensemble run for fine grained (4km) forecast using WRF Validating accuracy of components within the WRF model when scaled from 30km to 4km Publication acknowledgement: http://personal.uncc.edu/betherto/ams-slc-nwp.pdf Led to analysis of MPI services: http://www.isgtw.org/?pid=1000860 http://osg-docdb.opensciencegrid.org/0006/000674/001/OSG_MPI.pdf Etherton: Earth Sciences

24. Sept 2008 OSG Engagement VO, RENCI 24 Open Science Grid “All, Kevin, Mats, and I set up a test of running the coarse/fast ADCIRC system on 50,000 Monte Carlo simulated tracks that impact NC. The tracks are from Peter's track generation methods. Kevin and Mats set up the 50K runs to run on the NSF/DOE Open Science Grid. There are 2 images attached. The first shows the jobs running on OSG, and the big, sustained blip of jobs is the submission and delegation of the 50K runs onto available compute resources. From the graph, it looks like the 50K runs took about 7 hours. The second figure is the max elevation (in meters) at the 489 coastal nodes for all of the 50K tracks. I haven't looked in detail at the results, although they look reasonable. The main point is that this was fairly easy to do, and this will allow us to explore sensitivities to track selections for the Flood Plain Mapping simulations.“ – Brian Blanton Luettich: Coastal Modeling

25. Sept 2008 OSG Engagement VO, RENCI 25 Open Science Grid Blake: Information and Library Science "Claim Jumping through Scientific Literature" – a collaborative research project with Dr. Catherine Blake, Assistant Professor in the School of Information and Library Science at UNC-CH investigating approaches to multi-document summarization of scientific literature across disciplines. natural language parsing (NLP) of a large sample set (162,000) of biomedical research papers from the TREC (Text Retrieval Conference - NIST) Genomics Track document collection. “Using the OSG for this task has reduced NLP analysis time for the TREC collection from weeks to only a few days. The dramatic reduction in running time has allowed us to experiment and to fix problems iteratively in the text preprocessing and NLP that would not have been possible on a multi-week time scale.”

26. Campus IT and Enterprise Systems Department IT Campus ResearcherStudent … so, what can we do together … … to advance scientific research and education? … to advance scientific research and education? Computer Science Dept Lab IT Research Computing

27. Sept 2008 OSG Engagement VO, RENCI 27 Open Science Grid OSG is looking for a few partners to help deploy campus wide infrastructure that integrates with local enterprise infrastructure and the national CI OSG's Engagement team is available to help scientists get their applications running on OSG – low impact starting point – Help your researchers gain significant compute cycles while exploring OSG as a framework for your own campus CI What can we do together?

28. Sept 2008 OSG Engagement VO, RENCI 28 Open Science Grid Questions? OSG Engagement VO https://twiki.grid.iu.edu/twiki/bin/view/Engagement/WebHome engage-team@opensciencegrid.org

29. Sept 2008 OSG Engagement VO, RENCI 29 Open Science Grid E N D