Enabling Grids for E-sciencE An overview of the EGEE project and gLite middleware Brendan Hamill NeSC Edinburgh Based in part on material originated by Mike Mineter and Nicolas Jacq www.eu-egee.org EGEE-II INFSO-RI-031688
Contents Enabling Grids for E-sciencE • History of EGEE • Expanding into new areas of Science • Overview of the main grid services Overview of EGEE GridKa-School 2006 2 EGEE-II INFSO-RI-031688
EGEE – international e-infrastructure Enabling Grids for E-sciencE A four year programme: Collaboration • Build, deploy and operate a consistent, robust, large scale Operations, Support and production grid service that links with and builds on national, regional and international initiatives Pan-European Grid • Improve and maintain the middleware in order to deliver a reliable service to users training • Attract new users from research and industry and ensure training and support Network for them infrastructure & Resource centres Overview of EGEE GridKa-School 2006 3 EGEE-II INFSO-RI-031688
History of EGEE Enabling Grids for E-sciencE Overview of EGEE GridKa-School 2006 4 EGEE-II INFSO-RI-031688
History of EGEE (2) Enabling Grids for E-sciencE • European DataGrid (EDG) Project – Ended March 2004 • EGEE phase 1: – April 2004-March 2006 • EGEE-II: – April 2006-March 2008 – Part of the EU Sixth Framework Programme (FP6) – Budget > €50M – 970 individuals in 91 partner organisations Overview of EGEE GridKa-School 2006 5 EGEE-II INFSO-RI-031688
CERN Large Hadron Collider Enabling Grids for E-sciencE Overview of EGEE GridKa-School 2006 6 EGEE-II INFSO-RI-031688
Large Hadron Collider (2) Enabling Grids for E-sciencE Overview of EGEE GridKa-School 2006 7 EGEE-II INFSO-RI-031688
Large Hadron Collider (3) Enabling Grids for E-sciencE Overview of EGEE GridKa-School 2006 8 EGEE-II INFSO-RI-031688
Large Hadron Collider (4) Enabling Grids for E-sciencE Overview of EGEE GridKa-School 2006 9 EGEE-II INFSO-RI-031688
LHC pre-accelerators and detectors Enabling Grids for E-sciencE Overview of EGEE GridKa-School 2006 10 EGEE-II INFSO-RI-031688
Enabling Grids for E-sciencE Overview of EGEE GridKa-School 2006 11 EGEE-II INFSO-RI-031688
CMS Detector Enabling Grids for E-sciencE Overview of EGEE GridKa-School 2006 12 EGEE-II INFSO-RI-031688
Other subject areas in EGEE Enabling Grids for E-sciencE Astrophysics Bioinformatics Computational Chemistry Overview of EGEE GridKa-School 2006 13 EGEE-II INFSO-RI-031688
Enabling Grids for E-sciencE How do we make Grid Computing sexy? Overview of EGEE GridKa-School 2006 14 EGEE-II INFSO-RI-031688
Malaria Enabling Grids for E-sciencE Life cycle • ~300 million people worldwide are affected • 1-1.5 million people die every year • Widely spread • Caused by protozoan parasites of the genus Plasmodium Overview of EGEE GridKa-School 2006 15 EGEE-II INFSO-RI-031688
Role of Plasmepsins Enabling Grids for E-sciencE • Plasmepsins are involved in HEMOGLOBIN hemoglobin degradation during the parasite’s life cycle. Plasmepsins (I, II, IV, and HAP) • Present in the 4 species of Plasmodium causing the Heme Small Peptides disease in human Falcipain and oxidation plasmepsin • Sequence homology between the plasmepsins is high (65- Hematin Smaller Peptides 70%) polymerization Aminopeptidases • X-ray-crystallography data Hemozoin available Amino acids (malarial pigment) Overview of EGEE GridKa-School 2006 16 EGEE-II INFSO-RI-031688
“In-Silico” Drug Discovery Enabling Grids for E-sciencE • WISDOM Project (Wide In-Silico Docking On Malaria) – About 80 CPU years to produce TB of data Overview of EGEE GridKa-School 2006 17 EGEE-II INFSO-RI-031688
“In-Silico” Drug Discovery Enabling Grids for E-sciencE • Profiling Inhibitors of Influenza H5N1 – docking of 300,000 H5 H5 N1 N1 compounds studied – 8 different target structures of Influenza A neuraminidases – 2000 CPUs were used over 4 weeks (>100 CPU- years) – >60,000 output files with a data volume of 600 Gigabytes Overview of EGEE GridKa-School 2006 18 EGEE-II INFSO-RI-031688
Molecular Dynamics Enabling Grids for E-sciencE Molecular structure of β -lactamase Overview of EGEE GridKa-School 2006 19 EGEE-II INFSO-RI-031688
Earth Sciences Enabling Grids for E-sciencE • Climate Change • Energy Supply • Population Growth • Natural Hazards Overview of EGEE GridKa-School 2006 20 EGEE-II INFSO-RI-031688
Atmospheric Modelling Enabling Grids for E-sciencE Overview of EGEE GridKa-School 2006 21 EGEE-II INFSO-RI-031688
Asteroid impact simulations Enabling Grids for E-sciencE Overview of EGEE GridKa-School 2006 22 EGEE-II INFSO-RI-031688
Chicxulub crater Enabling Grids for E-sciencE Overview of EGEE GridKa-School 2006 23 EGEE-II INFSO-RI-031688
Impact Processes Enabling Grids for E-sciencE Overview of EGEE GridKa-School 2006 24 EGEE-II INFSO-RI-031688
Schiller Crater, Moon Enabling Grids for E-sciencE Overview of EGEE GridKa-School 2006 25 EGEE-II INFSO-RI-031688
In the first 2 years EGEE Enabling Grids for E-sciencE • Established production quality sustained Grid services – 3000 users from at least 5 disciplines – Goal was to integrate 50 sites into a common infrastructure � currently 180 – offer 5 Petabytes (10 15 ) storage • Demonstrated a viable general process to bring other scientific communities on board • Secured a second phase from April 2006 Pilot New Overview of EGEE GridKa-School 2006 26 EGEE-II INFSO-RI-031688
EGEE-I Grid Operations Enabling Grids for E-sciencE Overview of EGEE GridKa-School 2006 27 EGEE-II INFSO-RI-031688
Enabling Grids for E-sciencE Natural continuation of EGEE • Expanded consortium • Emphasis on providing an infrastructure • increased support for applications • interoperability with other infrastructures • more involvement from Industry Overview of EGEE GridKa-School 2006 28 EGEE-II INFSO-RI-031688
EGEE-II Activities Enabling Grids for E-sciencE SA: service activities - establishing operations NA: network activities - supporting VOs JRA: “joint research activities” - e.g. hardening middleware Overview of EGEE GridKa-School 2006 29 EGEE-II INFSO-RI-031688
EGEE-II: Expertise & Resources Enabling Grids for E-sciencE • More than 90 partners • 32 countries • 12 federations � Major and national Grid projects in Europe, USA, Asia + 27 countries through related projects: – BalticGrid – SEE-GRID – EUMedGrid – EUChinaGrid – EELA Overview of EGEE GridKa-School 2006 30 EGEE-II INFSO-RI-031688
Related projects: infrastructure, education, application Enabling Grids for E-sciencE Name Description BalticGrid EGEE extension to Estonia, Latvia, Lithuania EELA EGEE extension to Brazil, Chile, Cuba, Mexico, Argentina EUChinaGRID EGEE extension to China EUMedGRID EGEE extension to Malta, Algeria, Morocco, Egypt, Syria, Tunisia, Turkey ISSeG Site security eIRGSP Policies ETICS Repository, Testing BELIEF Digital Library of Grid documentation, organisation of workshops, conferences BIOINFOGRID Biomedical Health-e-Child Biomedical – Integration of heterogeneous biomedical information for improved healthcare ICEAGE International Collaboration to Extend and Advance Grid Education Overview of EGEE GridKa-School 2006 31 EGEE-II INFSO-RI-031688
Enabling Grids for E-sciencE Grid services How can EGEE middleware support collaboration and resource sharing within and between many diverse VO’s ? Overview of EGEE GridKa-School 2006 32 EGEE-II INFSO-RI-031688
Grid Middleware Enabling Grids for E-sciencE • When using a Grid you • When using a PC or workstation you – Login with digital credentials – Login with a username and password (“Authentication”) (“Authentication”) – Use rights given you – Use rights given to you (“Authorisation”) (“Authorisation”) – Run jobs – Run jobs – Manage files: create – Manage files: create them, read/write, list them, read/write, list directories directories • Services are linked by • Components are the Internet linked by a bus • Operating system • Middleware • One admin domain • Many admin domains Overview of EGEE GridKa-School 2006 33 EGEE-II INFSO-RI-031688
Typical current grid Enabling Grids for E-sciencE • Grid middleware runs on each shared resource – Data storage – (Usually) batch queues on pools of processors INTERNET • Users join VO’s • Virtual organisation negotiates with sites to agree access to resources • Distributed services (both people and middleware) enable the grid, allow single sign-on Overview of EGEE GridKa-School 2006 34 EGEE-II INFSO-RI-031688
Overview of gLite Overview of gLite Middleware iddleware Enabling Grids for E-sciencE Overview of EGEE GridKa-School 2006 35 EGEE-II INFSO-RI-031688
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