1. Grid computing using Open Science Grid (OSG) Alina Bejan University of Chicago

2. Open Science Grid (OSG) takes High Throughput Computing to the next level, to transform data-intensive science through a cross-domain, self-managed nationally distributed cyber-infrastructure. brings together campuses and communities, and facilitates the needs of Virtual Organizations at all scales. The OSG Consortium includes – universities – national laboratories – scientific collaborations – software developers working together to meet these goals

3. What is a grid? Grid is a system that: –coordinates resources that are not subject to centralized control, –using standard, open, general- purpose protocols and interfaces, –to deliver nontrivial qualities of service (based on Ian Foster’s definition in http://www.gridtoday.com/02/0722/100136.html) http://www.gridtoday.com/02/0722/100136.html

4. Grids consist of distributed clusters Grid Client Application & User Interface Grid Client Middleware Resource, Workflow & Data Catalogs 4 Grid Site 2: Sao Paolo Grid Service Middleware Compute Cluster Grid Storage Grid Protocols Grid Site 1: Fermilab Grid Service Middleware Compute Cluster Grid Storage …Grid Site N: UWisconsin Grid Service Middleware Compute Cluster Grid Storage

5. Do you have a project that takes too long when running on a single processor ? Do you deal with large amounts of data from simulations or experiments ?

6. Scaling up Science: Citation Network Analysis in Sociology Work of James Evans, University of Chicago, Department of Sociology 6

7. Scaling up the analysis Query and analysis of 25+ million citations Work started on desktop workstations Queries grew to month-long duration With data distributed across U of Chicago TeraPort cluster: –50 (faster) CPUs gave 100 X speedup –Many more methods and hypotheses can be tested! Higher throughput and capacity enables deeper analysis and broader community access. 7

8. Mining Seismic data for hazard analysis (Southern Calif. Earthquake Center ). Seismic Hazard Model Seismicity Paleoseismology Local site effects Geologic structure Faults Stress transfer Crustal motion Crustal deformation Seismic velocity structure Rupture dynamics 88

9. Grids work like a CHARMM for molecular dynamics Understanding the mathematics of molecular movement helps researchers simulate slices of the atomic world But when accurate nanosecond simulations pose a serious challenge, how can you simulate full microseconds of complex molecular dynamics?

10. Designing Proteins from Scratch Scientists use OSG to design proteins that adopt specific 3D structures and more ambitiously bind and regulate target proteins important in cell biology and pathogenesis

11. Genetics Grid computing is helping microbiologists solve the mysteries of mapping new genomes using GADU (Genome Analysis and Database Update)

12. Genome Analysis and Database Update (GADU) Runs across TeraGrid and OSG. Uses the Virtual Data System (VDS) workflow & provenance. Pass through public DNA and protein databases for new and newly updated genomes of different organisms and runs BLAST, Blocks, Chisel. 1200 users of resulting DB. Request: 1000 CPUs for 1-2 weeks. Once a month, every month. On OSG at the moment >600CPUs and 17,000 jobs a week.

13. Stormy weather: grid computing powers fine-scale climate modeling Why run individual models when you can run models in combination? When it comes to climate modeling, meteorologists are showing 16 forecasts are better than one.

14. Which sciences can benefit ? particle and nuclear physics astrophysics bioinformatics gravitational-wave science computer science mathematics medical imaging nanotechnology potentially any other science …

15. Grid Resources in the US Research Participation  Majority from physics : Tevatron, LHC, STAR, LIGO.  Used by 10 other (small) research groups.  90 members, 30 VOs,  Contributors:  5 DOE Labs  BNL, Fermilab, NERSC, ORNL, SLAC.  65 Universities.  5 partner campus/regional grids.  Accessible resources:  43,000+ cores  6 Petabytes disk cache  10 Petabytes tape stores  14 internetwork partnership  Usage  15,000 CPU WallClock days/day  1 Petabyte data distributed/month.  100,000 application jobs/day.  20% cycles through resource sharing, opportunistic use. Research Participation  Majority from physics : Tevatron, LHC, STAR, LIGO.  Used by 10 other (small) research groups.  90 members, 30 VOs,  Contributors:  5 DOE Labs  BNL, Fermilab, NERSC, ORNL, SLAC.  65 Universities.  5 partner campus/regional grids.  Accessible resources:  43,000+ cores  6 Petabytes disk cache  10 Petabytes tape stores  14 internetwork partnership  Usage  15,000 CPU WallClock days/day  1 Petabyte data distributed/month.  100,000 application jobs/day.  20% cycles through resource sharing, opportunistic use. Research Participation  Support for Science Gateways  over 100 scientific data collections (discipline specific databases)  Contributors:  11 Supercomputing centers IndianaIndiana, LONI, NCAR, NCSA, NICS, ORNL, PSC, Purdue, SDSC, TACC and UC/ANLLONINCARNCSANICS ORNLPSCPurdueSDSCTACCUC/ANL Computational resources: –> 1 Petaflop computing capability –30 Petabytes of storage (disk and tape)‏ –Dedicated high performance internet connections (10G )  750 TFLOPS (161K-cores) in parallel computing systems and growing Research Participation  Support for Science Gateways  over 100 scientific data collections (discipline specific databases)  Contributors:  11 Supercomputing centers IndianaIndiana, LONI, NCAR, NCSA, NICS, ORNL, PSC, Purdue, SDSC, TACC and UC/ANLLONINCARNCSANICS ORNLPSCPurdueSDSCTACCUC/ANL Computational resources: –> 1 Petaflop computing capability –30 Petabytes of storage (disk and tape)‏ –Dedicated high performance internet connections (10G )  750 TFLOPS (161K-cores) in parallel computing systems and growing TeraGrid OSG

16. OSG vs TG OSGTG Computational Resource 43K-cores across 80 institutions 161K-cores across 11 institutions and 22 systems Storage support a shared file system is not mandatory, and hence applications need to be aware of this shared file system (NFS, PVFS, GPFS, Lustre) on each system, and even has a WAN GPFS mounted across most systems Accessibility Private IP space for compute nodes no interactive sessions supports Condor throughout supports GT2 (and a few GT4) the firewall is locked down More compute nodes  public IP space Support for interactive sessions with login and compute nodes Supports GT2, GT4 for remote access, and mostly PBS/SGE and some Condor for local access 10K ports open in the TG firewall on login and compute nodes

17. Before FermiGrid e.g.Fermilab User Resource Head Node Workers Astrophysics Resource Head Node Workers Common Resource Head Node Workers ParticlePhysics Resource Head Node Workers Theory Existing Common Gateway & Central Services Common Gateway & Central Services Guest User Local Grid with adaptor to national grid Central Campus wide Grid Services Enable efficiencies and sharing across internal farms and storage Maintain autonomy of individual resources Next Step: Campus Infrastructure Days - new activity OSG, Internet2 and TeraGrid

18. Open Science Grid Overview

19. grid service providers: – middleware developers – cluster, network and storage administrators – local-grid communities the grid consumers: – global collaborations – single researchers – campus communities – under-served science domains  into a cooperative infrastructure to share and sustain a common heterogeneous distributed facility in the US and beyond. The Open Science Grid Consortium brings:

20. OSG sites

21. 96 Resources across production & integration infrastructures 30 Virtual Organizations +6 operations Includes 25% non-physics. ~30,000 CPUs (from 30 to 4000) ~6 PB Tapes ~4 PB Shared Disk Snapshot of Jobs on OSGs Sustaining through OSG submissions: 3,000-4,000 simultaneous jobs. ~100K jobs/day ~50K CPUhours/day. Peak test jobs of 15K a day. Using production & research networks OSG Snapshot

22. OSG - a Community Consortium DOE Laboratories and DOE, NSF, other, University Facilities contributing computing farms and storage resources, infrastructure and user services, user and research communities. Grid technology groups: Condor, Globus, Storage Resource Management, NSF Middleware Initiative. Global research collaborations: High Energy Physics - including Large Hadron Collider, Gravitational Wave Physics - LIGO, Nuclear and Astro Physics, Bioinformatics, Nanotechnology, CS research…. Partnerships: with peers, development and research groups Enabling Grids for EScience (EGEE),TeraGrid, Regional & Campus Grids (NYSGrid, NWICG, TIGRE, GLOW..) Education: I2U2/Quarknet sharing cosmic ray data, Grid schools… 19992000200120022005200320042006200720082009 PPDG GriPhyN iVDGL TrilliumGrid3 OSG (DOE) (DOE+NSF) (NSF)

23. Overlaid by virtual computational environments of single to large groups of researchers local to worldwide

24. To efficiently use a Grid, you must locate and monitor its resources. Check the availability of different grid sites Discover different grid services Check the status of “jobs” Make better scheduling decisions with information maintained on the “health” of sites

25. Virtual Organization Resource Selector - VORS http://vors.grid.iu.edu/ http://vors.grid.iu.edu/ Custom web interface to a grid scanner that checks services and resources on: –Each Compute Element –Each Storage Element Very handy for checking: –Paths of installed tools on Worker Nodes. –Location & amount of disk space for planning a workflow. –Troubleshooting when an error occurs.

26. Open Science Grid

27. VORS entry for OSG_LIGO_PSU OSG Consortium Mtg March 2007 Quick Start Guide to the OSG

28. Gratia -- job accounting system http://gratia-osg.fnal.gov:8880/gratia-reporting/ http://gratia-osg.fnal.gov:8880/gratia-reporting/

29. How do you join the OSG? A software perspective

30. Joining OSG Assumption: – You have a campus grid Question: –What changes do you need to make to join OSG?

31. Your Campus Grid assuming that you have a cluster with a batch system: –Condor –Sun Grid Engine –PBS/Torque –LSF

32. Administrative Work You need a security contact –Who will respond to security concerns You need to register your site You should have a web page about your site. –This will be published –People can learn about your site.

33. Big Picture Compute Element (CE) –OSG jobs submitted to CE, which gives them to batch system –Also has information services and lots of support software Shared file system –OSG requires a couple of directories to be mounted on all worker nodes Storage Element (SE) –How do you manage your storage at your site

34. Installing Software The OSG Software Stack –Based on the VDT The majority of the software you’ll install It is grid independent –OSG Software Stack: VDT + OSG-specific configuration Installed via Pacman

35. What is installed? GRAM: –Allows job submissions GridFTP: – Allows file transfers CEMon/GIP: – Publishes site information Some authorization mechanism –grid-mapfile: file that lists authorized users, or –GUMS (grid identity mapping service) And a few other things…

36. OSG Middleware Infrastructure Applications VO Middleware Core grid technology distributions: Condor, Globus, Myproxy: shared with TeraGrid and others Virtual Data Toolkit (VDT) core technologies + software needed by stakeholders: many components shared with EGEE OSG Release Cache: OSG specific configurations, utilities etc. HEP Data and workflow management etc Biology Portals, databases etc User Science Codes and Interfaces Existing Operating, Batch systems and Utilities. Astrophysics Data replication etc

37. Picture of a basic site

38. Shared file system OSG_APP –For users to store applications OSG_DATA –A place to store data –Highly recommended, not required OSG_GRID –Software needed on worker nodes –Not required –May not exist on non-Linux clusters Home directories for users –Not required, but often very convenient

39. Storage Element Some folks require more sophisticated storage management –How do worker nodes access data? –How do you handle terabytes (petabytes?) of data Storage Elements are more complicated –More planning needed –Some are complex to install and configure Two OSG supported options of SRMs: –dCache –Bestman

40. OSG - Education, Training and Outreach OpenScienceGrid.org/Education OpenScienceGrid.org/About/Outreach OpenScienceGrid.org/Education OpenScienceGrid.org/About/Outreach eot@OpenScienceGrid.org

41. OSG EOT Mission Organize and deliver training for OSG –OSG End Users –Site Administrators –Support new communities / VOs joining OSG Engage young people in (e)Science and CS –Primary focus: undergraduate and early graduate students –Reach high schools through I2U2 (QuarkNet follow-on) –Promote and train in interdisciplinary collaboration Reach out –To under-represented communities Engage and assist minority students and minority serving institutions by providing resources and opportunities. –internationally Strengthen and assist emerging, underserved regions of strategic importance to form bonds to US science and Grid communities Focus (for outreach) is on Latin America and Africa OISE focus on engagement in Europe and Asia

42. OSG EOT Program Overview End User Education –In-person workshops –Online training –EOT VO for student engagement, access and support Community Outreach –International student/faculty exchange via OISE –Supporting under-represented and under-resourced communities in US, Latin America and Africa through workshops, technical assistance and grid access –High School Education – I2U2 support - http://ed.fnal.gov/uueo/i2u2.html Site Admin Training –Training grid administrators in setup and support of OSG sites using the OSG/VDT software stack

43. 2007-08 Workshop Program www.opensciencegrid.org/workshops Georgetown University Grid School 2008, April 15-17, DC Tuskegee University Grid School 2008, Feb 6-8 - Tuskegee AL Florida International Grid School 2008, Jan 23-25, at Florida International University, Miami, Florida Supercomputing ’07 tutorials, Nov 11 & 13, at Reno, Nevada Great Plains Grid School (GPGS’07), Aug 8-10, at the U. of Nebraska-Lincoln Rio Grande Grid School (RGGS’07), Jun 8-10, at the U. of Texas at Brownsville, coordinated with UT-Pan American TeraGrid Conference tutorials, Jun 4-8, at the U. of Wisconsin-Madison South Africa Workshop, Mar 26-30, at the IFIP School on Software (ISS’07), Gordon's Bay, South Africa Midwest Grid Workshop (MGW’07), Mar 24-25 at the U. of Illinois at Chicago Argentine Grid Workshop, Mar 12-14 at Santa Fe, Argentina

44. Grid School Syllabus Intro to distributed computing and the Grid Grid security and basic Grid access Grid resource and job management Grid data management Building, monitoring, maintaining & using Grids Grid applications and frameworks Workflow and related issues (scheduling, provenance) Future: –Porting applications to the Grid –Web services and the resource framework –Advanced networking; data mining

45. Self-paced / online instruction opensciencegrid.org/OnlineGridCourse Flexible roadmaps for navigating the material Lectures and labs Access to online community to provide support Online office hours

46. I2U2 Interactions In Understanding the Universe The Grid for Secondary Science Education “educational virtual organization” creates an infrastructure to develop – hands-on laboratory course content and – an interactive learning experience that brings tangible aspects of each experiment into a “virtual laboratory.” These labs use the Grid for education in the same way that science uses the Grid. www.i2u2.org

47. I2U2 "e-Labs” –delivered as Web-based portals accessible in the classroom and at home – implemented with of Web-based media capabilities "i-Labs” –delivered as interactive interfaces typically located within science museums and similar public venues –leverage the latest advances in display technology and human-computer interaction, –and bring the experiences and appreciation of scientific investigation and inquiry to the wide audience of informal education

48. List of e-Labs –Cosmic Ray e-LabCosmic Ray e-Lab High school students investigate data from a cosmic ray detector array. (not necessary to have a detector to participate.) Possible investigations: ･ Muon Lifetime ･ Diurnal changes in flux ･ Effects of shielding ･ High-energy showers ･ Altitude effects –CMS Test Beam e-Lab (Beta Version)CMS Test Beam e-Lab High school students analyze CMS test beam data in an online graphical ROOT environment. Shower Depth ･ Lateral Shower Size ･ Beam Purity ･ Detector Resolution –LIGO e-Lab (Beta version)LIGO e-Lab High school and middle school students investigate seismic behavior with data from LIGO ( Laser Interferometer Gravitational-wave Observatory). Earthquake Studies ･ Frequency Band Studies ･ Microseismic Studies ･ Studies of Human-induced Seismic Activity –ATLAS e-Lab –STAR e-Lab

49. i-Labs To engage the general public in science, we envision using appealing museum exhibits to attract visitors' attentions and engage them in a short taste of exploration they will use virtual data tools and techniques to access, process and publish data, report their results as online posters, have online discussions about their work with peers, and then present posters and meet scientists at museums.

50. i-Lab Example Adler Planetarium –is developing a cosmic ray i-Lab with support from QuarkNet and the Compact Muon Solenoid (CMS) experiment. –effort to research an informal- education model

51. Cooperation with EGEE International Schools on Grid Computing –OSG as co-organizer for ISSGC’07 and ISSGC’08 –sponsor alumni of US Grid Schools to attend the International Summer school. –Joint lectureships and material sharing / development efforts –Content sharing

52. Cooperation with TeraGrid Another major national cyberinfrastructure Partnership of 11 organizations –Mostly supercomputer labs Use of TG and OSG resources Contribute content Joint training

53. Education VO Interested in getting started with OSG ? Join OSGEDU VO –Use OSG resources –Contribute resources Wiki, email lists, follow-up discussions –Support, engagement –Postings of opportunities for students

54. Students 2004-2008 facts: International participation: –Argentina, Brazil, Canada, Colombia, India, Mexico, New Zealand, Russia, South Africa, Uruguay Women –Approx. 15% Minorities –Approx 15% Try to improve these statistics

55. Participants’ domains Computer Science Image processing Communications Networking Physics Astrophysics High Energy Nuclear Physics Optical Networks Theoretical solid state physics Atomic Physics Computational Physics Chemistry Computational Chemistry Molecular Dynamics & Simulation Applied Mathematics Geosciences Computational Multibody Dynamics for Distributed computing Judicial Administration Engineering Materials Science Quantum theory …and others …

56. Acknowledgments Various OSG members and contributors (Alain Roy, Mike Wilde, Ruth Pordes, Gabielle Allen and many others …)

57. Summary of OSG Provides core services, software and a distributed facility for an increasing set of research communities. Helps VOs access resources on many different infrastructures. Interested in collaborating and contributing our experience and efforts.

58. it’s the people…that make the grid a community! http://www.opensciencegrid.orghttp://www.opensciencegrid.org