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e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme
www.e-nmr.eu
The e-NMR project:deploying and unifying the NMR
e-Infrastructure in System Biology
October 2009
Marco Verlato
e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme
www.e-nmr.eu
2
Deploying and unifying the NMR e-Infrastructure in System Biology
An e-infrastructure funded by the European Commission
• Project type: I3• Duration: 3 years• End date: October 31st, 2010• Total budget: 2.766.650 €• Funding from the EC: 2.050.000 €• Total funded effort: 27 person-years• Related EC-funded projects: EU-NMR, NMR-Life
e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme
www.e-nmr.eu
3
Coordinator: Harald Schwalbe, University of Frankfurt
Johann Wolfgang Goethe Universität Frankfurt am Main, GermanyCenter for Biomolecular Magnetic Resonance (BMRZ)
University of Florence, Italy Magnetic Resonance Center (CERM)
Subcontractor: Spronk NMR Consultancy, Vilnius, Lithuania
Utrecht University, The NetherlandsBijvoet Center for Biomolecular Research
European Bioinformatics Institute, Hinxton, UK
Istituto Nazionale di Fisica Nucleare , Italy
Project Participants
e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme
www.e-nmr.eu
4
Objectives
• Deploy and support an interoperable Grid infrastructure at the three NMR infrastructures to be later integrated with EGEE
• Assess the state-of-the-art in computational bio-NMR and promote knowledge and spreading of best computational practices
• Identify and promote a sustainable NMR technical framework for e-Science
• Develop an integrated e-NMR computational platform
e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme
www.e-nmr.eu
Structural Biology on the GRID
• Function and Mechanism of Action
• Design of Experiments
• Understand Effects of Mutations
• Drug Design
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e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme
www.e-nmr.eu
NMR: Nuclear Magnetic Resonance
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e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme
www.e-nmr.eu
NMR data processing
• Many programs
• Expertise required
• Demanding in terms of CPU and data storage
e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme
www.e-nmr.eu
From GRID application to Web service
GRIDUser InterfaceServer
e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme
www.e-nmr.eu
e-NMR portal security
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e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme
www.e-nmr.eu
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http://gridice-enmr.cerm.unifi.it/site/site.php
e-NMR gridICE snapshot
e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme
www.e-nmr.eu
11
> 370k jobs
> 109 NWT.years
Accounting
e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme
www.e-nmr.eu
12
INFN activities in e-NMR
• INFN is responsible of the Work Package 2, which aims to:– deploy at the 3 NMR sites the gLite grid services– establish the e-NMR Grid Operation Centre (GOC) for management,
control and support of the infrastructure– certify and integrate in e-NMR the newly developed JRA-WP3
components
• 2 FTEs funded (3,65 persons) + myself unfunded:S.Dalpra (Jun’08-Apr’10) + E.Frizziero +65%*S.Traldi (May’08-Apr’10) + P.Solagna (Oct’08-Apr’10) + M.Verlato (uf)
• 5 deliverables under INFN responsibility before end of the project:– D2.4: Report on e-NMR towards integration with EGEE– PM27
(Jan’10)– D3.7: Updated RFE of gLite to support bio-NMR applications– PM30
(Apr’10)– D2.6: 2nd Assessment of e-NMR infrastructure and GOC report –
PM33 (Jul’09)– D2.7: New components’ integration and deployment updated report
– PM36 (Oct’10)– D2.5: Final report on e-NMR grid – PM36 (Oct’10)
e-NMR (RI-213010) is funded by the European Commission under the Research Infrastructure Programme
www.e-nmr.eu
13
Plans for 2010• Operations:
– To support e-NMR extension to South African Grid
• Application support/gridification– To implement a user friendly web interface for Data Management (e.g. DMS Web
Manager)– To implement data encryption (e.g. gLite EDS)
• From 1/11/2010 possible extension to WeNMR (INFRA-2010-1.2.3-Virtual Research Communities – to be submitted by 24/11/2009)
• Requests for 2010:– Missioni Interne: 2 k€ per workshop e annual meeting nel I e II
sem.– Missioni Estere:
• 2.5 k€ per partecipazione EGEE UF'10 nel I sem.• 8k€ per developers meeting, Evento EGI'10 e Final Review nel II
sem.• 2k€ di consumo per allestimento stand di progetto agli eventi EGEE
UF'10 e EGI'10.
Total = 14,5 k€