WP2 e-NMR Grid deployment and operations

1. WP2 e-NMR Grid deployment and operations Technical Review in Brussels 8th of December 2009 Marco Verlato

2. Outline • WP2 mandate • Activity summary • Future plans

3. Overview From the DoW: “The main objective of this project is to optimise and extend the use of the EU-NMR Research Infrastructures through the implementation of an e-Infrastructure, e-NMR. This e-Infrastructure will provide the European bio-NMR user community with a platform that integrates and streamlines the computational approaches necessary for bio-NMR data analyses. The e-NMR infrastructure will be based on the Grid infrastructure”

4. WP2 Mandate • Objective 1: “Deploy and support an interoperable Grid infrastructure at the three NMR infrastructures to be later integrated with EGEE” • Measure of success: • The completion of the installation of the middleware at the three NMR research infrastructures • Number of enmr.eu VO registered users • Number of sites participating in the e-NMR grid • Statistics of use of the infrastructure: n.of jobs, CPU.hours, availability of resources • Number of queries issued and solved by the support team

5. WP2 tasks • Start date: PM1 • Duration: 36 Months • WP leader: INFN • Tasks: • T2.1:Deployment of the e-NMR grid infrastructure • T2.2:e-NMR Grid Operation Centre (GOC) • T2.3: Integration of JRA components

6. M 18 M 21 M 12 M 24 M 1 Nov 2007 Oct 2008 Oct 2009 Apr 2009 Jul 2009 WP2 Milestones & Deliverables up to II year D2.8: Survey of the interest and demands of the user community as well as potential industrial stakeholders with respect to the provision of fee based services and/or training activities M2.2: First integration of JRA developed components M2.1: Grid infrastructure operational D2.2: Assessment of the e-NMR infrastructure and GOC report D2.3: New components’ integration and deployment report D2.1: e-NMR grid infrastructure operational We are here

7. T2.1: Deployment of the e-NMR grid infrastructure • Second year achievements: • New resources added to e-NMR infrastructure • Grid sites at NMR labs joined their NGI / EGEE ROC • CIRMMP  IGI/EGEE ROC IT • BCBR  BigGrid/EGEE ROC NE • BMRZ  D-Grid/EGEE ROC GE/SWI • Hydra keystores deployed at main e-NMR sites to enable gLite Encrypted Data Storage system • Per-application accounting implemented via VOMS groups

8. T2.1 e-NMR Grid in October 2009 CEs, SEs and UIs at sites: 252 CPU-cores 2.9 TB storage dedicated + 4185 CPU-cores 35.2 TB storage shared with IGI and BigGRID + more resources expected from: - NGS (UK NGI) - ROC Central Europe - South African Grid

9. Extension to SAGrid • South African National Compute Grid (SAGrid) and Bioscience Unit of the South African Council of Scientific and Industrial Research (CSIR) are supporting e-NMR • SAGrid is deploying production grid services to South African research institutes and universities using the gLite middleware • SAGrid CA expected to be operational by Spring 2010 • 7 sites currently under test/validation with e-NMR software, available soon for sharing with enmr.eu VO • VO support model being discussed by SAGrid in June 2010

10. T2.1 Evolution of the infrastructure Resources deployed Applications deployed

11. T2.1 Geographical view of users distribution

12. T2.1 Central Services Enabling EDS Ready to cope with increasing job workload

13. T2.1 Encrypted Data Storage system • m-of-n splitting of keys: • reliability: m of n working key servers are enough • security: compromise of a single server does not reveal the keys

14. T2.2: e-NMR Grid Operation Centre • The deployed grid infrastructure has to be managed, monitored and supported • It means: • Complement the basic grid services deployed with further tools to proactively monitor and account the usage of the infrastructure • Provide support to both users and project’s developers and resource managers through documentation, wiki, mailing lists, sw repositories, etc., typically accessed via the project web portal • Implement mechanisms to address operational problems and answer support requests • Leveraging as much as possible on already existing operational procedures and tools adopted by EGEE  see D2.2: Assessment of the e-NMR infrastructure and GOC report (M18)

15. T2.2 Monitoring GOCDB SAM WMSMon GStat

16. T2.2 Site Availability (from gridview.cern.ch) Sites in certification

17. T2.2 EGEE Availability and Reliability ReportOctober 2009

18. T2.1 Accounting 1/3 Usage records sent to GOCDB HTC-BIGGRID NIKHEF-ELPROD

19. T2.2 Accounting 2/3

20. T2.2 Accounting 3/3 Largest used VO in Life Sciences 6 CPU.yrs/week on average: among the ~20 most active EGEE VOs

21. T2.2 Per-application accounting • Planned exploiting the granularity made available by the VOMS service: • a VOMS group defined for each application • e.g.: voms-proxy-init –voms enmr.eu:/enmr.eu/haddock • the user proxy carries the VOMS group info • The usage records collected and stored by the grid accounting services have the VOMS group information and allow the aggregate usage of each application to be measured and shown through the accounting visualization tools • The implementation has started gradually • it requires both a re-configuration of the main grid services (WMS and CEs) • ..and a not negligible modification of the code behind the portals which handles the automatic grid job management • Do not interrupt the production services offered to the users, testing deeply the solution in parallel instances before switching to production mode

22. T2.2 Users’ & operations support

23. T2.2 Users’ & operations support • ~ monthly gLite release updates • 14 in the last year • Transition from gLite 3.1 to gLite 3.2 • Transition from SL4 to SL5 • Transition from i386 to x86_64 • WP2 leverages on IGI and Dutch NGI expertise to support grid site admins via enmr-sitemanagers mailing list (35 monthly messages on average)

24. T2.3: Integration of JRA components • Task aimed to support Joint Research Activities • Use of Trac system: a joint development platform providing • Wiki, timeline to track changes • Support for project planning and issue tracking • Access to a subversion (SVN) source code repository • Single unified software structure that simplifies deployment of all e-NMR at the different sites • It will also help in making the e-NMR software available to external sites (e.g. industry) • Grid layer: Job submission, job polling, SE data handling, etc. • Web layer: user interaction, HTML form handling, gathering data for program execution, etc. • Worker layer: Scripts that run on worker nodes (e.g. to set up environment to run CNS). • see D2.3: New components’ integration and deployment report (M21)

25. T2.3 Web portal GSI authentication and user proxy delegation

26. T2.3 Grid job automation and management

27. D2.8: Survey of interest about provisioning of fee-based services (M24) • online survey www.enmr.eu/Survey • advertised on Belief portal • 5 answers until now • all positive • next step: D2.9: Evaluation of the results of the survey and implementation of consequent actions (M27)

28. WP2 future plans • To support the extension of enmr.eu VO to NGS, Central Europe ROC and SAGrid resources • 2010 will see the transition from EGEE to EGI • dialog with EGI can begin in December 2009 • NGIs will continue to support and provide resources for the enmr.eu VO