This was unexpected Keynote talk for Open Science Grid All Hands Meeting Indianapolis IN - 11 March 2013 Craig A. Stewart Executive Director, Pervasive Technology Institute Associate Dean, Research Technologies 1

FIRST! THANKS TO THE OPEN SCIENCE GRID 2013 ALL HANDS MEETING SPONSORS Data Direct Networks (DDN). Thanks, and thanks for your ongoing partnership with IU! Indiana University Pervasive Technology Institute. 2

Some big questions Why is there something, rather than nothing? What is the nature of good, and evil? What is art? How do we practically and ethically create a future for the human race on this planet? 3

OSG gets to work on some pretty big questions “Why do those things that exist have mass?” is a pretty big question. Other pretty big questions OSG is working on: – “How do we eliminate disease?” – “How do we craft an approach to human occupancy of this planet that is sustainable for generations” 4

How IU got involved in OSG – excellence of IU Physicists and their involvement in LHC 5 IU Physicist Harold Ogren with a piece of the ATLAS TRT. Drafting is widely practiced at the Indianapolis 500 race track. We IU information technology experts know how to draft, too!

OSG at IU Timeline 1995 – Harold Ogren name Transition Radiation Tracker Level 2 manager, Fred Luerhing named ATLAS TRT Software Coordinator 1996 – Rob Gardner comes to IU as Assistant Professor of Physics 1998 – Craig Stewart and D.F. “Rick” McMullen use the term “Grid Operations Center” in a proposal to the NSF. That proposal was not funded, but the term was later reused in reference to OSG 2000 – Gardner gets IU’s first funding for IT activities related to GriPhyN 2001 – Gardner gets funding for prototype GOC 2003 – Fred Luehring takes on lead role in Physics Dept. re grid activities, Rob Quick’s first involvement in grid computing. University Information Technology Services involved – 24 x 7 support, ticket system, GridCAT iVDGL and other partners evolve to Open Science Grid. First LHC partner ticketing synchronization with Karlsruhe Institute of Technology – U. Chicago and IU partner on ATLAS MidWest Tier 2 facility. Hal Evans joins IU – Rob Quick now OSG Operations Coordinator. Virtual Organization Resource Selector (VORS) implemented –Development of third (and final) monitoring service RSV & MyOSG –OSG Production Operation services hardened, strict change management guidelines and SLAs enacted for all services. Later that year LHC restarts – CSIU VO Registered for campus grid activities. XSEDE funded with IU leading campus bridging efforts 2012 –GlideIn Factory, RPM Repo, Display, JIRA. Hal Evans Management and Operations Manager for US ATLAS 2013 – CSIU VO Actively running jobs from IU School of Medicine

Higgs Boson announcement 4 July From: NB: ATLAS and CMS contributed to the Higgs discovery, with no differences credit due that I am able to discern. There is one ATLAS and one CMS image in this talk.

OSG supports lots of science: usual suspects HEP – Accelerator, ALICE, Argoneut, ATLAS, Belle, CDF, CDMS, CMS, COUPP, DayaBay, DES, DOSAR, DREAM, DZero, Fermilab, Geant4, Gluex, GM2, GridUNESP, IceCube, ILC, LBNE, LCG, LQCD, MARS, MCDRD, MicroBooNE, Minerva, Miniboone, Minos, MIPP, Mu2e, Nova, Numi, OSG, Patriot, SLAC, SuperB, Theory, UC3 Physics – FusionGrid, NYSGrid Nuclear Physics – STAR National Laboratory – LBNL, NERSC, ORNL, SLAC Gravitational Phyics – LIGO Astronomy – LSST Chemistry – Engage, NanoHUB, NEBioGrid, NYSGrid, SURAGrid, UC3 Community Grid – CIGI, CSIU, DOSAR, Engage, FermiGrid, GCVO, GLOW, GPN, GridUNESP, GROW, HCC, NEBioGrid, NWICG, NYSGrid, SBGrid, UC3 Computer Science – CIGI, DOSAR, GCVO, GridUNESP, HCC, MIS, SLAC, SURAGrid 8

OSG support con’t: not the usual suspects Earth Sciences & GIS – CIGI, ESGF, GridUNESP, NYSGrid, Engage Ecology – CIGI Cellular Biology – CompBioGrid, NEBioGrid, SBGrid, SURAGrid Astrophysics – COUPP, CSIU, DES, SLAC, UC3, VLAB Medicine – CSIU, ENMR, NEBioGrid, SBGrid Bioinformatics – CSIU, Engage, ENMR, Geant4, GridUNESP, HCC, NEBioGrid, NYSGrid, SBGrid, SLAC, SURAGrid Information Theory – CSIU, Engage Mathematics – Engage, HCC Technology – CSIU, Engage, Geant4, I2U2, MIS, Ops Molecular Biology – ENMR, GridUNESP, SURAGrid Education – CGCEDU, I2U2, OSGEDU Accelerator Physics – MAP, MARS, SLAC Engineering – NanoHUB, NEES Zoology – NEBioGrid Microbiology - SBGrid Structural Biology – SBGrid Statistics – SURAGrid Economics – GLOW, UC2

OSG provides lots of cycles Thanks to Robert Quick for this slide

March 7 th Usage Table Thanks to Robert Quick for this slide

OSG provides resources from and to many places 12 Thanks to Robert Quick for this slide

And we need those cycles - (In)adequacy of Research CI Key observations from ACCI Campus Bridging Task Force (paraphrased): Aggregate US cyberinfrastructure inadequate to meet needs Existing CI not optimally utilized Many of the challenges have to do with the existing state of software, security, and policy Some reasonable choices well executed now are better than perfect solutions implemented later From: NSF Advisory Committee for Cyberinfrastructure Task Force on Campus Bridging. Final Report. March

OSG, XSEDE, & campus bridging GOAL: Promote better and easier use, via XSEDE and campus bridging tools, of the nation’s aggregate CI resources Campus Bridging could be thought of as a very technical and broad approach to usability To be conscientiously targeted at Data, HPC, and HTC – probably in that order OSG has been doing campus bridging since before it had that name! Strategy: conscientiously make a small number of reasoned choices, pursue them with diligence, and reap economies of scale (if things go right) or clear learning experiences (otherwise) Key foci for campus bridging right now: – GFFS pilot – Cluster and tool distribution 14

15 From Welch, V., Sheppard, R., Lingwall, M.J., Stewart, C.A Current structure and past history of US cyberinfrastructure (data set and figures).

An example of leveraging OSG tools – IU and SPLINTER SPLINTER - Structural Protein-Ligand Interactome Used autodock-vina – “…open-source program for drug discovery, molecular docking, and virtual screening…” Frist run - docked ~3900 Proteins with 5000 Ligands for a total of ~19M docked pairs. Submitted via command line to Condor using Pegasus on the OSG-XSEDE submission node Infrastructure is set and new runs can be easily started Thanks to Robert Quick for this slide

SPLINTER Run Stats Thanks to Robert Quick for this slide

Various rotations of Protein CBFA2T1 (Cyclin-D-related protein) (Eight twenty one protein) (Protein ETO) (Protein MTG8) (Zinc finger MYND domain-containing protein 2) The results will be scored, ranked and visualizations made available along with purchasing information for compounds to move quickly from simulation to a wet lab environment. Thanks to Robert Quick for this slide

We’re doing really great science - but this was unexpected As of 11 March – The sequester has been in effect just over 1 week – “At NSF, the major impact of sequestration will be seen in reductions to the number of new research grants and cooperative agreements awarded in FY We anticipate that the total number of new research grants will be reduced by approximately 1,000.” - Dr. Subra Suresh, Director, NSF – “The NIH continues to operate under a Continuing Resolution... all non-competing continuation awards are currently being funded at a level... generally up to 90% of the previously committed level... Should a sequestration occur, NIH likely will reduce the final FY 2013 funding levels of non- competing continuation grants and expects to make fewer competing awards... “ html 19

Support for research is at a low point – at least a local minimum in recent years State and local financial support for higher education is declining significantly (at 25 year low according to one report) Grant awards are taken out of context and distorted for political gain and for press attention. In some cases, utterly false information is used in political campaigns. Bipartisanship - as measured empirically by cross-party voting in Senate is at a low point. In years past, science has had strong bipartisan support. 20

We all have to do more As an example - Research Technologies Division Goals for Service to Indiana, world community For Indiana residents: – To have the benefits of information technology services and information available from IU; – the opportunity to obtain a first-class education at all levels; the social and economic benefits of having IU produce talented graduates, well educated and ready to pursue interesting and valuable careers; – a vibrant economy providing satisfying, high-quality jobs with good pay that provide new career options and entice IU graduates to stay; a high standard of living and quality of life; – and an engaging and enjoyable cultural community. For others in the United States and the world: – To have the benefits of information technology services and IT- related information from IU; – improved quality of life as a result of economic advancement, improved health, and artistic and literary creations brought about by the leadership of IU and the state of Indiana. 21

Outreach matters 22

From 1 July 1999 to 30 June 2012 the Pervasive Technology Institute and its forerunners and collaborators created 1,109 full time job-years of employment directly as a result of grants and contracts brought into Indiana Economic Development Matters Indiana Illinois Kentucky Michigan Ohio Milken Institute’s State Technology and Science Index for Indiana and bordering states 23

This was unexpected - what do we do now? That we would be doing this much great science and facing a decrease in public support... this was unexpected. If doing great science were enough to get broad public support, we’d have it now. Perhaps a loss of trust in scientists has contributed to the burden we feel when we write broader impacts sections in our grants We need to accept that it took decades for society to get here and it’s going to take decades to get someplace else We need to make effective use of our resources. – This is one of the places where OSG truly excels We need to do more to educate the lay public, and we can’t be cynical about it – We all have to do more We are at such a point of crisis that as a scientific community we ought to participate in rational discourse about scientific priorities (and non priorities) OSG has done great things... Let’s keep at it, keep delivering value, and double down on educating the public about the value of what we do. 24 Sisyphys ( ) by Titian, Prado Museum, Madrid, Spain jpg. This work is in the public domain in the United States, and those countries with a copyright term of life of the author plus 100 years or fewer. jpg

For further information PTI web site – Recent PTI report on economic development Report on public support for higher education - shef-report-fy2012-released shef-report-fy2012-released Auqsalaq

Thanks Thank you for your great work Thanks to Rob Quick, Alain Deximo, Kyle Gross, Soichi Hayashi, Tom Lee, Chris Pipes, Elizabeth Prout, and Scott Teige. And special thanks for Fred Luehring. They are the reason I am here today. OSG staff and XSEDE Campus Champions – whose input has already shaped Campus Bridging activities greatly. Guy Almes, Von Welch, Patrick Dreher, Jim Pepin, Dave Jent, Stan Ahalt, Bill Barnett, Therese Miller, Malinda Husk, Maria Morris, Gabrielle Allen, Jennifer Schopf, Ed Seidel. All of the IU Research Technologies and Pervasive Technology Institute staff who have contributed to OSG, TeraGrid, Campus Bridging, and XSEDE Kurt Seiffert, Kristy Kallback-Rose, Danko Antolovic, Therese Miller, and everyone else involved in RobotCamp NSF for funding support (Awards , , , , ; this material and ongoing work supported by Award ) Funding support provided by Lilly Endowment and the Indiana University Pervasive Technology Institute Any opinions presented here are those of the and do not necessarily represent the opinions of the National Science Foundation or any other funding agencies Thanks to Robert Quick as General Chair for the invitation to speak today, and for his help with many of the slides in this presentation 26

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