2. E-Research Initiatives from a National Center Point of view H. Hoeger C. Mendoza, L.A. Núñez 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

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

4. 3 New Paradigms, New Realities, New era A 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.

5. e-research

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

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

8. Pacific Rim Application and Grid Middleware Assembly (PRAGMA) http://www.pragma-grid.net/ n 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 n USA + Asia

9. E-infrastructure shared between Europe and Latin America (EELA) http://www.eu-eela.org/ n LA – Argentina: UNLPUNLP – Brazil: CECIERJ/CEDERJ, RNP, UFF, UFRJCECIERJ/CEDERJRNPUFFUFRJ – Chile: REUNA, UDEC, UTFSM ･REUNAUDECUTFSM – Cuba: CUBAENERGIACUBAENERGIA – Mexico: UNAMUNAM – Peru: SENAMHISENAMHI – Venezuela: ULA

10. 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) EELA Applications

11. Pierre Auger Grid Access Infrastructure

12. Vendors Initiatives n GridLAC (SUN) – INAOE (M é xico), UNM (NM USA), USP (Brasil), ULA (Venezuela) n LAGrid (IBM) – Tec. Monterrey (M é xico), UASLP (M é xico), Inst Aeron á utico (Argentina), UNLP (Argentina) UP Mayaguez (Puerto Rico) n HPGrid – UP Mayaguez (Puerto Rico) ? Binational Initiatives ReNATA cooperation Cooferencia Latinoamerica de Computaci ó n de Alto Rendimiento ST Binational Corridor Santander (.co) M é rida (.ve)

13. Grid Venezuela

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

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

16. e-Sciences and e-Engineering

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

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

19. 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

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

22. Strategy for Legacy Scientific Applications, starting 2k Old Legacy modelDistributed Architecture Evolving to portal Architecture

23. Recent e-science Portals Projects n Two portals Scientific App on local engines – CATIVIC: Semiempirical Quantum Chemistry code F. Ruette, M. Sánchez, G. Martorell et al (2004) CATIVIC: Parametric quantum chemistry package for catalytic reactions: Int. J. Quant. Chem. 96, 321-332. – Concentrated Damage Finite Element Analysis for plastic/elastic properties of building structures M. 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. n 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

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

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

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

27. CATIVIC: Semiempirical Quantum Chemistry code

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

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

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

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

34. Vicerrectorado Académico Consejo de Computacion Académica 1987 - 2007 Lessons Learnt Developed as Academic Projects: P-P EvaluatedDeveloped as Academic Projects: P-P Evaluated Services requires NO University organizationServices requires NO University organization Focusing effort on concret activities = consensusFocusing effort on concret activities = consensus Planning the Future while building the present:Planning the Future while building the present: Pilot Projects that can be re-scaledPilot Projects that can be re-scaled Inmediate building ServicesInmediate building Services Cooperative User Project. The USER is the Client Cooperative User Project. The USER is the Client Human Resources are CRITICALHuman Resources are CRITICAL Tecnical, Management (High and Middle), Users.Tecnical, Management (High and Middle), Users. ITC National/Regional and ProjectsITC National/Regional and Projects Developed as Academic Projects: P-P EvaluatedDeveloped as Academic Projects: P-P Evaluated Services requires NO University organizationServices requires NO University organization Focusing effort on concret activities = consensusFocusing effort on concret activities = consensus Planning the Future while building the present:Planning the Future while building the present: Pilot Projects that can be re-scaledPilot Projects that can be re-scaled Inmediate building ServicesInmediate building Services Cooperative User Project. The USER is the Client Cooperative User Project. The USER is the Client Human Resources are CRITICALHuman Resources are CRITICAL Tecnical, Management (High and Middle), Users.Tecnical, Management (High and Middle), Users. ITC National/Regional and ProjectsITC National/Regional and Projects

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

36. Thanks !