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SCI-BUS : building e-Science gateways in Euro pe

SCI-BUS : building e-Science gateways in Euro pe. http://www.sci-bus.eu Peter Kacsuk and Zoltan Farkas MTA SZTAKI Start date: 2011-10-01 Duration: 36 months. SCI-BUS is supported by the FP7 Capacities Programme under contract nr RI-283481. Problem statement - what is needed and why?.

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SCI-BUS : building e-Science gateways in Euro pe

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  1. SCI-BUS: building e-Science gateways in Europe http://www.sci-bus.eu Peter Kacsuk and Zoltan Farkas MTA SZTAKI Start date: 2011-10-01 Duration: 36 months SCI-BUS is supported by the FP7 Capacities Programme under contract nr RI-283481

  2. Problem statement - what is needed and why? • There are many user communities who would like to access several DCIs (grids, clouds, clusters) in a transparent way • They do not want to learn the peculiar features of the used DCIs • They want to concentrate their scientific application • Therefore they need a science gateway

  3. How to build a science gateway? • There are two basic options: • Build from scratch • Long time to produce a robust gateway • Requires substantial manpower and development cost • Adapt and customize an existing gateway technology • Significantly reduces development time • Produces a robust and usable service • SCI-BUS provides the required core gateway and costumization technology

  4. Main objectives of SCI-BUS • Create a generic-purpose gateway technology • Elaborate an application-specific gateway building technology and customisation methodology • Establish production gateway services both for NGIs and various user communities • Provide seamless access to major computing, data and networking DCIs and services including supercomputers, clusters, grids and clouds • Create and maintain a Liferay portlet repository that enables the quick creation of user specific customised gateways • Provide gateway development and application development support • Develop business models to guarantee the sustainability of the gateway services and to enable the commercial exploitation

  5. Tools and user roles in SCI-BUS Portlet Developer Gateway Developer Data management Portlets Repository Job submission Scientist Workflow Template A …. Custom Gateway SCI-BUS Generic Framework based on WS-PGRADE and Liferay Portlet Portlet Portlet Portlet Data transfer SCI-BUS Generic Framework Profile Gateway Operator Monitoring Function Workflow Function Application Function Application Sequencing Applications Repository fMRI DCI MRI simulator NonLinSyst simulator DCI Application Developer DCI ….

  6. Details of requirements • To overcome (most of)the limitations of existing portals: • To provide better modularity  to replace any service • To improve scalability  to millions of jobs • To enable advanced dataflow patterns and workflows (including the support of parameter studies) • To interface with wider range of resources (grids, clusters, clouds) • To separate Application Developer view from Application User view • Solution: • usage of WS-PGRADE/gUSE as the core science gateway • and a new customization technology

  7. Experiences and feedback from users • WS-PGRADE in European and national projects • CancerGrid (EU FP6) • ProSim (UK) • EDGeS and EDGI (EU FP7) • MosGrid (D-Grid) • Swiss Proteomics Portal • HP-SEE (EU FP7) • SHIWA (EU FP7) • SCI-BUS (EU FP7)

  8. The CancerGrid portal for anti-cancer drug research Workflow execution Workflow development & configuration Integrated components of CancerGrid portal Algorithms configuration Molecule database browser Structure viewer

  9. ProSim workflow in g-USE • UK project for Protein Molecule Simulation on the Grid • a combination of GEMLCA and standard g-USE jobs • Executed on 5 different sites of the UK NGS • Parameter sweeps in phases 3 and 4 • Status: actively used in production Phase 1 Phase 2

  10. MosGrid Science Gateway for Molecular Simulations • Requirement: Workflow enabled grid portal for UNICORE based on Liferay • Solution: • Adaptation of WS-PGRADE from GridSphere to Liferay • Development of UNICORE Submitter • Support for SAML • Development of ASM support • Status: • production since May 2011 • presented in EGI UF, Vilnius

  11. Swiss Proteomics Portal Result PS1&mzXML_1 Result PS1&mzXML_2 Result PS1&mzXML_1 Result PS1 Result PS2&mzXML_2 Result PS2&mzXML_1 Result PS2&mzXML_1 Result PS2 Result PS3&mzXML_2 Result PS3&mzXML_1 Result PS3&mzXML_1 Result PS3 • TPP Workflow Parameter Sets OUTPUT Result PS4&mzXML_2 Result PS4&mzXML_1 Result PS4&mzXML_1 Result PS4 PS1 ParamA = A2 ParamB = B3 ParamC = C1 PS2 ParamA = A2 ParamB = B2 ParamC = C1 INPUT Result PS5&mzXML_2 PS3 ParamA = A2 ParamB = B1 ParamC = C1 Result PS5&mzXML_1 Result PS5&mzXML_1 Result PS5 PS4 ParamA = A1 ParamB = B3 ParamC = C1 parameters.properties ParamA = A1; A2 ParamB = B1; B2; B3 ParamC = C1 combine PS5 ParamA = A1 ParamB = B2 ParamC = C1 Result PS6&mzXML_2 Result PS6&mzXML_1 Result PS6&mzXML_1 Result PS6 PS6 ParamA = A1 ParamB = B1 ParamC = C1 Data Set file_list.txt mzXML_1 mzXML_2 mzXML_3 mzXML_1 mzXML_2 mzXML_3 Step 2 Step 1 • Status: • - Production since Dec 2010 in ETH Zürich • - Presented in EGI UF, Vilnius 19/05/10

  12. SHIWA VO SHIWA Science Gateway local cluster Globus DCI gLite DCI SHIWA Portal SHIWA Repository WF1 WFn Triana WE search WF GEMLCA admin Taverna WE s1 MOTEUR WE WF1 WFm s2 WE1 WEp WF list ASKALON WE Kepler WE edit WF GEMLCA Repository s2 WS-PGRADE Workflow editor ASKALON WE MOTEUR WE GWES WE s4 WE + WF e-scientist s3 WS-PGRADEWorkflow engine GEMLCA with GIB pre-deployed-WEs s5 invoke WE GEMLCA Service SHIWA Simulation Platform v2 Creating multi-workflow applications and executing them in the multi-middleware SHIWA VO

  13. The SCI-BUS Infrastructure Create 11 gateways in the 1st project year

  14. Re-usability and adaptability to different communities and needs • Create 11 gateways in the 1st project year for the following user communities: • International seismology community • Helio-physics communityc • Swiss systems biology community of the SystemsX.ch project • German MoSGrid computational chemistry and bioinformatics community • Biomedical researchers community of the Academic Medical Centre of the University of Amsterdam • Astrophysics community • PireGrid SMEs community • Business process modelling community • Blender rendering community • Citizen web-2 community • Public application developer community (based on ETICS-2 results) • Create another 16 user community gateways (including 6 subcontractors)

  15. Where to find further information? • gUSE/WS-PGRADE: • http://www.guse.hu/ • gUSE on sourceforge • http://sourceforge.net/projects/guse/ • http://sourceforge.net/projects/guse/forums/forum/ • http://sourceforge.net/projects/guse/develop • SCI-BUS web page: • http://www.sci-bus.eu/ • SHIWA web page: • http://www.shiwa-workflow.eu/ • See demos at the SZTAKI booth

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