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E-Research Initiatives from a National Center Point of view

E-Research Initiatives from a National Center Point of view. H. Hoeger C. Mendoza, L.A. N úñez Centro Nacional de C á lculo Cient í fico Universidad de Los Andes CeCalCULA Corporaci ó n Parque Tecnol ó gico de M é rida, M é rida Venezuela. Outline.

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E-Research Initiatives from a National Center Point of view

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  1. E-Research Initiatives from aNational Center Point of view H.Hoeger C. Mendoza, L.A. Núñez Centro Nacional de Cálculo Científico Universidad de Los Andes CeCalCULA Corporación Parque Tecnológico de Mérida, Mérida Venezuela

  2. Outline • National Center Point View and oportunity • Regional (continental) e-research initiatives • Multilateral-Academic Iniatives • Pacific Rim Application and Grid Middleware Assembly (PRAGMA) • E-infrastructure shared between Europe and Latin America (EELA) • Global Academic Supercomputing Consortium (GASC) • Vendors Initiatives • GridLAC (SUN) • LAGrid (IBM) • HPGrid • Regional (Binational) Initiatives • S&T ColomboVenezuela Corridor (Santander Merida) • National Initiatives: GridVenezuela • CeCalCULA Applications

  3. New Paradigms, New Realities, New eraA Informational Revolution. • New forms of Capitalisms production • Change in process are deeper than only ICT. They are social • From the industrial economy to the informational economy • From material products to services • Knowledge is raw material but also an end product • Informational Economy • Global and Real time process • There are no national economies. There are national strategies • Interdependent networked economy • Highly qualified, creative and skilful Human resources • New e-research • Theory - Experiments - Simulation • Multidisciplinary & Remote Colaborative • Remote sensing Data mining.

  4. e-research

  5. Presentation services: subject, media-specific, data, commercial portals Searching , harvesting, embedding Resource discovery, linking, embedding Resource discovery, linking, embedding Data creation / capture / gathering: laboratory experiments, Grids, fieldwork, surveys, media Data analysis, transformation, mining, modelling Learning object creation, re-use Aggregator services: eBank UK Harvestingmetadata Learning & Teaching workflows Research & e-Science workflows Repositories : institutional, e-prints, subject, data, learning objects Institutional presentation services: portals, Learning Management Systems, u/g, p/g courses, modules Deposit / self-archiving Deposit / self-archiving Validation Validation Publication Resource discovery, linking, embedding Validation Linking Peer-reviewed publications: journals, conference proceedings Quality assurance bodies Data curation: databases & databanks Liz Lyon (2004)Realising the scholarly knowledge cyclehttp:// www.ukoln.ac.uk E-research means new opportunity to train new researchers

  6. Center point of view: Compel users • Support National-Regional Groups • Understand their levels of ICT/HPC needs • Some users know what they need • Provide ICT/HPC tools (applications) • Some (most of them) do not • Start with ICT & Cooperative collaboration tools • Drug dealer strategy • Force them to use more tools • Develop HPC WEB-Base HPC Applications

  7. Pacific Rim Application and Grid Middleware Assembly (PRAGMA)http://www.pragma-grid.net/ • LA • Centro de Invertigacion Cientifica y de Educacion Superior de Ensenada (CICESE):Compute-intensive,meteorological forecasting model, MM5, using a highbandwidth,optical-fiber link between San Diego and Tijuana, Mexico. • Universidad de Chile (Center for Mathematical Modeling):Resources to the PRAGMA testbed • Universidad Nacional Autonoma de Mexico UNAM: Resources to the PRAGMA testbed • USA + Asia

  8. E-infrastructure shared between Europe and Latin America (EELA)http://www.eu-eela.org/ • LA • Argentina: UNLP • Brazil: CECIERJ/CEDERJ, RNP, UFF, UFRJ • Chile: REUNA, UDEC, UTFSM･ • Cuba: CUBAENERGIA • Mexico: UNAM • Peru: SENAMHI • Venezuela: ULA

  9. EELA Applications • Biomedicine applications (ULA CubaEnergía,UNAM): • BiG (BLAST in Grid) is a Grid-enabled BLAST Interface.BLAST (Basic Local Alignment Search Tool) MrBayes is a Tool for Phylogeny Studies.GATE Monte-Carlo Simulation of Particle Physics Emission in the Medical Field (Thyroid Cancer) WISDOM (Wide In-Silico Docking Of Malaria) In-Silico Drug Discovery for Neglected Diseases. • HEP (LHC/Pierre Auger) (UNLP,UFRJ, UNAM UTFSM) • Data share, simmulations (MC), analysis and repositories for (ATLAS, ALICE, CMS, LHCb) and Cosmic/Gamma Rays from LHC@CERN, but also at Tevatron and DESY, Pierre Auger Observatory • Distant e-Learning (CubaEnergía, CEDERJ, UNAM) • CuGfL: The Learning Management System Cuba Grid for Learning; VoD: Video on Demand interactive multimedia server • Climate (SENAMHI, UDEC, UTFSM) El Niño Phenomena • CAM Model (Community Atmospheric Model) WRF Model (Weather Research & Forecasting Model)

  10. Pierre Auger Grid Access Infrastructure

  11. Vendors Initiatives • GridLAC (SUN) • INAOE (México), UNM (NM USA), USP (Brasil), ULA (Venezuela) • LAGrid (IBM) • Tec. Monterrey (México), UASLP (México), Inst Aeronáutico (Argentina), UNLP (Argentina) UP Mayaguez (Puerto Rico) • HPGrid • UP Mayaguez (Puerto Rico) ? Binational Initiatives • ReNATA cooperation • Cooferencia Latinoamerica de Computación de Alto Rendimiento • ST Binational Corridor Santander (.co) Mérida (.ve)

  12. Grid Venezuela

  13. What is CeCalCULA? e-Sciences and e-Engineering An technogical Observatory to Transfer experiences doing e-research in in Venezuela/Region

  14. Mérida Venezuela ? ~ 1800 mts high ~ 20-24 C

  15. e-Sciences and e-Engineering

  16. Distributed Computing Portals Storage Visualization Virtual Collaborative tools E-Science for Users

  17. Computers Instruments Complex problem GRID Data Scientific Community Solution Knowledge

  18. National Network of Population Genetics, Molecular Systematics & Integrative Biology IVIC, ULA, USB. • To introduce methodologies of Population Genetics & Bioinformatics in their research lines • IT projects concern • Knowledge Data Mining & Portals • Protein Modeling

  19. http://www.cecalc.ula.ve/BIOINFO/

  20. Evolving to portal Architecture Strategy for Legacy Scientific Applications, starting 2k Old Legacy model Distributed Architecture

  21. Recent e-science Portals Projects • Two portals Scientific App on local engines • CATIVIC:Semiempirical Quantum Chemistry codeF. Ruette, M. Sánchez, G. Martorell et al (2004) CATIVIC: Parametric quantum chemistry package for catalytic reactions: Int. J. Quant. Chem . 96, 321-332. • Concentrated DamageFinite Element Analysis for plastic/elastic properties of building structuresM. E. Marante L. Suárez A. Quero J. Redondo B. Vera, M. Uzcategui, S. Delgado, L. R. León, L. Núñez and J. Flórez-López, (2005) Portal of damage: a web-based finite element program for the analysis of framed structures subjected to overloads. Advances in Engineering Software, 36, 346-358. • Two portals (Grid) Scientific App on standard engines • Gaussian (Porlets GridPort Toolkit)Ab Initio Quantum Chemistry code • Blast (Genius)Basic Local Alignment Search Tool BLAST

  22. http://portaldeporticos.ula.ve Centro Nacional de Calculo Científico Universidad de los Andes

  23. Portal of Damage Centro Nacional de Calculo Científico Universidad de los Andes

  24. Gaussian Portlet [International]Centro Nacional de Calculo Cientifico de la Universidad de Los Andes (CeCalCULA) Merida, Venezuela

  25. CATIVIC:Semiempirical Quantum Chemistry code

  26. Plasmodium falciparum Genome • 8934 sequences • aprox. 5000 candidate genes • aprox. 23 Mb on 14 chromosomes • Blast • One database (swissprot): time:12m4.2s

  27. Advance options login: risea Monday March 13, 2006: 04:05:34 Last IP: 150.185.138.1 Grid2Blast* (*) nombre inicial Open Close Tool Blast Primer Data Convert 1.0 SeqPup AnnHyb

  28. LAGO: Large Aperture Gamma Ray BurstHELEN ALFA Projects Pierre Auger CAB/UNLP ULA/USB UniPuebla Uni SanAndres Collaboration

  29. Meteorological Stations (Mérida) Satelite’s Data Estación Repetidora Producers Farmers Researchers Mapas Datos de Satélites CIPLAT-Est. Chama CeCalCULA (Data Processing) charts Estaciones Meteorológicas (Sur del Lago) CeCalCULA Internet Buletins Internet Meteorological Stations Producers Farmers Researchers Estaciones Receptoras CIPLAT, Est. Chama Numeric Data BioCimate Information System

  30. Conclusions • We will continue to focus on portals in ordet to popularize the use of complex Scientific Applications and Grid Infraestructure to coming users • We will aim to Engineering, Bioscience and Quantum Chemmistry and HEP communities • We will help to preserve catalogued data from bioclimate communities

  31. Thanks !

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