E-Research Initiatives from a

National Center Point of view

H.H. Hoeger Hoeger C. Mendoza, C. Mendoza, L.A. NL.A. NúñezúñezCentro Nacional de CCentro Nacional de Cálculo Científico álculo Científico

Universidad de Los AndesUniversidad de Los AndesCeCalCULACeCalCULA

Corporación Parque Tecnológico de Mérida, Corporación Parque Tecnológico de Mérida, Mérida VenezuelaMérida Venezuela

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 era

A Informational Revolution. New forms of Capitalisms production New forms of Capitalisms production

Change in process are deeper than only ICT. They are socialChange in process are deeper than only ICT. They are social From the industrial economy to the informational economyFrom the industrial economy to the informational economy From material products to servicesFrom material products to services Knowledge is raw material but also an end productKnowledge is raw material but also an end product

Informational EconomyInformational Economy Global and Real time processGlobal and Real time process There are no national economies. There are national strategiesThere are no national economies. There are national strategies Interdependent networked economyInterdependent networked economy Highly qualified, creative and skilful Human resources Highly qualified, creative and skilful Human resources

New e-researchNew e-research Theory - Experiments - SimulationTheory - Experiments - Simulation Multidisciplinary & Remote ColaborativeMultidisciplinary & Remote Colaborative Remote sensing Data mining.Remote sensing Data mining.

e-research

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

Harvestingmetadata

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

Center point of view: Compel usersCenter 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

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

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

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

Pierre Auger Grid Access Infrastructure

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)

Grid Venezuela

e-Sciences and e-Engineeringe-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/Regionin

Venezuela/Region

What is CeCalCULA?What is CeCalCULA?

Mérida Venezuela ? Mérida Venezuela ?

~ 1800 mts high~ 20-24 C

e-Sciences and e-Engineering e-Sciences and e-Engineering

E-Science for Users

Visualization Visualization

Virtual Collaborative toolsVirtual Collaborative tools

Distributed ComputingDistributed Computing

StorageStorage

PortalsPortals

Computers

Data

Knowledge

Instruments

Scientific CommunitySolution

Complex problem

GRID

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

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

Strategy for Legacy Scientific Applications, starting 2k

Old Legacy model Distributed Architecture

Evolving to portal Architecture

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

Centro Nacional de Calculo Científico Universidad de los Andes

http://portaldeporticos.ula.ve

Centro Nacional de Calculo Científico Universidad de los Andes

Portal of Damage

Gaussian Portlet [International] Centro Nacional de Calculo Cientifico de la Universidad de Los Andes (CeCalCULA)

Merida, Venezuela

CATIVIC: Semiempirical Quantum Chemistry code

Plasmodium falciparum Genome

8934 sequences aprox. 5000 candidate genes aprox. 23 Mb on 14

chromosomes

Blast One database (swissprot):

time:12m4.2s

ToolTool

Advance options

Data Convert 1.0 SeqPup AnnHyb Primer

Grid2Blast*(*) nombre inicial

login: risea Monday March 13, 2006: 04:05:34Last IP: 150.185.138.1

Blast

Open Close

LAGO: Large Aperture Gamma Ray BurstHELEN ALFA Projects

Pierre AugerCAB/UNLPULA/USBUniPueblaUni SanAndresCollaboration

QuickTime™ and aTIFF (Uncompressed) decompressor

are needed to see this picture.

BioCimate Information SystemBioCimate Information System

Internet

Datos de Satélites

Estación Repetidora

Estaciones Receptoras

CIPLAT, Est. Chama

Estaciones Meteorológicas

(Sur del Lago)

ProducersFarmers

Researchers

CeCalCULA

(Data Processing)

Meteorological Stations

(Mérida)

CIPLAT-Est. Chama

CeCalCULA

Mapas

charts

Buletins

ProducersFarmers

Researchers

InternetMeteorological Stations

Satelite’s Data

Numeric Data

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

Thanks !Thanks !