Sergiu December 2006 TG User Services Coordination December 2006 SDSC NCAR TACC UC/ANL NCSA ORNL PU IU PSC

Sergiu December 2006 Strategic Issues Petascale simulation needs strongly coupled TeraGrid resources for pre- and post-processing, data analysis,mining/filtering, visualization, steering, and management at various time scales. We need to get ready: engineer applications & workflows to efficiently use ultrascale systems and Grid based technologies; train our consultants and users; implement a scalable information system to support this work. We have made a start: SC06 successes, user information design.

Sergiu December 2006 TeraGrid Wins Again! "Remote Runtime Steering of Integrated Terascale Simulation and Visualization"SC|06 HPC Analytics Challenge Winning team: CMU/U Texas Austin/UC Davis/PSC "Remote Runtime Steering of Integrated Terascale Simulation and Visualization" Recall that SC|05 Analytics Challenge was also won on TG systems, with ASTA support! SC|06 Bandwidth Challenge Honorable Mention: IU/PSC/ORNL Lustre-WAN experiments: "All in a Day's Work: Advancing Data Intensive Research with the Data Capacitor"

Sergiu December 2006

Sergiu December 2006

Sergiu December 2006 Impact of Completed ASTA Projects Published TG Science Features, News, Nuggets: mpich-G2, Grid interop, GridFTP, Remote Viz, PDIO SteeringArterial Karniadakis (Brown U) CTS mpich-G2, Grid interop, GridFTP, Remote Viz, PDIO Steering mpich-G2, Grid interop, Remote VizVortonics Boghosian (Tufts U) CTS mpich-G2, Grid interop, Remote Viz Grid interop, Steering, GridFTP ; AHESPICE Coveney (UCL) CHE Grid interop, Steering, GridFTP ; AHE GridFTP, WAN-GPFS, DMOVER, SRB, Task MappingENZO Norman (UCSD) AST GridFTP, WAN-GPFS, DMOVER, SRB, Task Mapping pegasus-VDS, GridFTP/tgcp, WAN-GPFS, SRBSCEC yr1 Olsen (SDSU) GEO pegasus-VDS, GridFTP/tgcp, WAN-GPFS, SRB WAN-GPFS, SRBBIRN Ellisman (SDSC) BIO WAN-GPFS, SRB MyCluster/GridShellCMS Newman (Caltech) PHY MyCluster/GridShell MyCluster/GridShellCrystal Deem (Rice) PHY MyCluster/GridShell parallel scalability,I/O design, ensemble simulationsTstorms Droegemeier (OU) ATM parallel scalability,I/O design, ensemble simulations pegasus-VDS, Grid interopGADU Maltsev (U Chicago) BIO pegasus-VDS, Grid interop Infrastructural enablers: parallel scalability Injector Heister (Purdue) ASC parallel scalability gsicp, gsissh; customized portal MD-Data Jakobsson (UIUC) BIO gsicp, gsissh; customized portal parallel scalability NREL Brady (Cornell) BIO parallel scalability community code development, SGW development CIG Gurnis (Caltech) GEO community code development, SGW development parallelization EarthScope Pavlis (IU) GEO parallelization

Sergiu December 2006 GADU on TeraGrid and OSG… Bioinformatics is all about Comparative analysis: Insights of Biology are gained by Comparative Analysis: Comparative analysis to know what is same and different between strains of an Organism Difference between Pathogenic and non-pathogenic organisms. Tools BLAST, Blocks, Chisel, Interpro etc. : An embarrassingly parallel workload. Opportunistic use of resources without reservations. An interoperable setup to use both the Grids. Site selection and scheduling across OSG and TeraGrid Sites. GADU uses Pegasus based Virtual Data System (developed under the Griphyn Project) to generate resource specific job submission files. A common installation and job submission setup for both the Grids. GADU uses TeraGrid and OSG resources simultaneously:

Sergiu December 2006 Results: Last Run.. ( November 2006) Ran BLAST Jobs Ran Blocks Jobs Usage: 70% OSG : 30% Teragrid GADU was able to get about 700 CPUs throughout the last run on OSG and TeraGrid together. TeraGrid Community Space helped in standardizing the GADU’s installation of various TeraGrid sites. Acknowledgements: TeraGrid User Support Group - ASTA David O’Neal (GIG/PSC), Joseph Insley (UC/ANL), Krishna Muriki (SDSC) OSG Operations – Support in getting more resources for GADU VO. Globus and VDS Support. On the Application Level (OSG and TeraGrid resources helped in) : Analyzing more than 1,000 Prokaryotic and Eukaryotic genomes using various tools such as BLAST, Blocks and Chisel via PUMA2, Pathos and Target Analyzing User submitted genomes via GNARE for groups such “Shewanella Federation” (Analyzed 13 Strains of Shewanella) and “Center for Genomic Sciences” at West Penn Allegheny Health System (Analyzed Strains of Beggiatoa and Haemophilus influenzae)

Sergiu December 2006 Current ASTA Projects SCEC yr.2 Olsen (SDSU) GEO Cui (SDSC), Reddy (GIG/PSC) Turbulence Woodward (U Minn) ASC Reddy (PSC) Nemo3D Klimeck (Purdue) ECD Raymond (GIG/PSC), Muriki (SDSC) Epidemiology Barrett (VA Poly) Cuticchia (Duke) BCS Marcusiu (NCSA) Demography Lansing (U Arizona) DBS Majumdar (SDSC), Gomez (PSC) Remote Biological Microscopy Gilpin (U Texas) MCB Hempel (TACC) Adaptive GIN MD/QM Nakano (USC) DMR Brown (PSC) Pulmonary Immunity Benos (Pitt) MCB Raymond (GIG/PSC) Pleistocene Hydrology Person (IU) EAR Wang (IU) Failure of Human Bone Keaveny (UCB) MCA Majumdar (SDSC) QUAKE Bielak (CMU) MCA Urbanic (PSC)

Sergiu December 2006 Vision for TeraGrid Information Flow Info In Wiki Ticket System Knowledge Base MDS Resources Catalog DB (TGCDB) Science Gateways Accounting User News DB Systems monitors Software repository (from users, systems, and staff) Info Out User Info Knowledge Base (in User Info) Portal Wiki Science Gateways RP site User Guides User News Display Inca Software pages

Sergiu December 2006 Ticket System DB Resource Catalog (TGCDB) Allocated Users Wiki MDS Portal Help Desk Consultants, User Services/ ASTA Inca User Info KB Will be in User Info Docs Coord, WG, Portal, KB, Doc Group, & other Staff RP Site Systems Automated/Dynamic Human-mediated Elements of the TeraGrid Information System Software Repository RP Web Sites User News Knowledge Base User News DB Accounting (TGCDB) INCA DB

Sergiu December 2006 Info systems under development for 2007 INCA DB User News DB User News User Info Inca Knowledge Base Allocated Users Help Desk Consultants, etc. KB Will be in User Info KB Staff Ticket System DB RP Site Systems MDS Portal Allocated Users Wiki TG STaff. Automated/Dynamic Human-mediated Resource Catalog (TGCDB) RP Web Sites RP site staff User Info