DCIs and Workflows C. Vuerli Contributions by G. Sipos, K. Varga, P. Kacsuk

Definitions Distributed computing: distributed systems to solve computational problems –Computer clusters: sets of loosely connected or tightly connected computers that work together so that in many respects they can be viewed as a single system –Grids: distributed, highly loosely coupled, heterogeneous and geographically dispersed systems with non-interactive workloads that involve a large number of files –HPC systems: enable users to run a single instance of parallel software over many processors. –Cloud computing: applications and services offered over the Internet from data centers all over the world, which collectively are referred to as the “clouds”. The main enabling technology for cloud computing is virtualization which abstracts the physical infrastructure – which is the most rigid component – and makes it available as a soft component, easy to use and manage.

DCI Projects EDGI (European Desktop Grid Initiative) – EGI – InSPIRE (Integrated Sustainable Pan-European Infrastructure for Researchers in Europe) – EMI (European Middleware Initiative) – IGE (Initiative for Globus in Europe) – StratusLab (Enhancing Grid Infrastructures with Virtualization and Cloud Technologies) – VENUS-C (Virtual multidisciplinary EnviroNments USing Cloud Infrastructures) –

EGI European –Over 35 countries Grid –Secure sharing Infrastructure –Computers –Data –Instruments –…. and beyond!!

EGI Resource Infrastructure Providers: National Grid Initiatives (Snapshot: April 2012)

EGI, EGI.eu, EGI-InSPIRE EGI – an open collaboration –To support the digital European Research Area through a pan-European research infrastructure based on services federated from the NGIs EGI.eu – a Dutch foundation owned by the NGIs –To coordinate the work of EGI (operations, technology, user support, policy, community & communications, administration) –Sustainable small coordinating organisation EGI-InSPIRE – an FP7 project –Supports EGI.eu and EGI to transition to sustainable operational model

EGI’s Strategic Focus Community & Coordination –Community building through events. Next event: EGI Technical Forum, Madrid, Sept –Community networking, marketing and outreach through the NGIs Operational Infrastructure –Operate a European wide infrastructure –Offer its use to other research infrastructures –Build a federated cloud environment Virtual Research Environments –Enable 3 rd party integration & operation of VREs

Guiding Principles Be a neutral resource provider –Any application, any domain, any technology –A platform for domain specific innovation & use –Integration of any compliant resource End-user needs and technologies change –Allow communities to deploy their own services –Give communities the power to meet their own needs

Virtual Organizations VOs – Virtual Organizations –Groups of researchers with similar scientific interests and requirements, who are able to work collaboratively with other members and/or share resources (e.g. data, software, expertise, CPU, storage space), regardless of geographical location. Researchers must join a VO in order to use grid computing resources provided by EGI. Each virtual organization manages its own membership list, according to the VO’s requirements and goals. EGI provides support, services and tools to allow VOs to make the most of their resources

Virtual Reseach Communities VRCs – Virtual Research Communities –Self-organized research communities which give individuals within their community a clear mandate to represent the interests of their research field within the EGI ecosystem. –They can include one or more VOs and act as the main communication channel between the researchers they represent and EGI EGI establishes partnerships with individual VRCs through a Memorandum of Understanding (MoU). VRCs can access the computing resources and data storage provided by the EGI community through open source software solutions. VRC members can store, process and index large datasets and can interact with partners using the secured services of EGI’s production infrastructure

Virtual Reseach Environments VREs – Virtual Research Environments –A combination of environments that provide the researcher with easy access to the services deployed in EGI to enable their data analysis activities. –Initially, the VRE consisted of a command line interface for the researcher to access the services deployed across the infrastructure. –Over the years, higher-level generic tools and domain specific environments have been developed by many research communities to simplify the data analysis process.

SSO Authentication SSO – Single Sign On –A session/user authentication process that permits a user to present his/her credentials to access multiple applications and resources. –The process authenticates the user for all the applications they have been given rights to and eliminates further prompts when users switch from one application to another during a particular session.

SSO Authentication Concepts Authentication –The process of determining whether someone or something is, in fact, who or what it is declared to be on the basis of provided credentials. –Authentication is commonly done through the use of username/password pairs. –The use of digital certificates issued and verified by a Certificate Authority (CA) as part of a PKI (Public Key Infrastructure) is considered likely to become the standard way to perform authentication on the Internet.

SSO Authentication Concepts IdP – Identity Provider –Provides Single Sign-On services. In addition to a simple yes/no response to an authentication request, the Identity Provider can provide a rich set of user-related data to the Service Provider IdF – Identity Federation –Enables IdPs to exchange identity information securely across domains, providing browser- based SSO

EGI Platforms Community Platform EGI resources (cores & storage) VM EGI Core Infrastructure Platform EGI Cloud Infrastructure Platform Virtual Research Communities EGI Collaboration platform Community Platform (gLite Grid) Grid services

Core Infrastructure Platform Services Service monitoring Service usage accounting Security (Authentication, Authorization) Staged rollout of services...

Unified Middleware Distribution External technology providers: EMI (ARC, gLite, UNICORE, dCACHE), IGE (Globus), EDGI (desktop grids), SAGA, … UMD capabilities captured in UMD roadmap Staged Rollout: updates of the supported middleware are first released to and tested by Early Adopter sites before being made available to all sites through the production repositories. Operations Provisioning Infrastructure Staged Rollout Staged Rollout Criteria Verification Criteria Verification Production Criteria Definition Criteria Definition External Technology Providers Deployed Software Helpdesk unit Deployed Software Helpdesk unit Requirements Software Core infrastructure platform

User communities of the UMD User VO Virtual Research Community Members Virtual Organisations Research communities Largest user communities: High Energy Physics Astronomy & Astrophysics Life Sciences Earth Sciences Computational Chemistry Fusion … ~ users in ~200 Registered VOs

UMD use case 1: workload management with gLite Computing service Storage Service Site X of YOUR VO Information System Submit job query Retrieve output Create job definition Submit job (batch executable + small inputs) Broker service User environment publish state VO Management Service (VOMS) create Proxy (~login) process Retrieve status & (small) output files Logging and bookkeeping service Job status Logging Read/write files 20 Core infrastructure platform

UMD use case 2: data management with gLite Computing service Storage service Site X of YOUR VO Information System Query Command line or Portal publish state VO Management Service (VOMS) create proxy Upload file Download file File Catalog and/or Metadata catalog Register file Lookup file File content File references 21

Cloud infrastructure platform Hardware OS Grid middleware Scientific portal Hypervisor Community specific, grid enabled services OS Scientific portal Hardware OS Grid middleware Scientific portals (SaaS environments) Community specific, grid enabled services OS Custom services OS

Structural biology – We-NMR project: Gromacs training environments Ecology – BioVel project: Remote hosting of OpenModeller service Linguistics – CLARIN project: Scalable ‘British National Corpus’ service (BNCWeb) Software development – SCI-BUS project: Simulated environments for portal testing Space science – ASTRA-GAIA project: Data integration with scalable workflows Some of the cloud infrastructure pilot use cases Join as pilot use case, or as provider of high level service on top of the EGI Cloud!

What does the EGI.eu User Community Support Team do? European level coordination and support to enable research communities to evolve into routine EGI users –Knowing and driving technical activities (Virtual Team projects) –Knowing and responding to technical needs Support the development and deployment of innovative, collaborative VREs –Integrating applications with EGI platforms –Training and consultancy –Facilitate the reuse of services across communities –Provide services for the EGI Collaboration Platform Applications Database, Training Marketplace, Requirements tracker, CRM

Services of the Collaborative platform 1: Applications Database Benefits: Gives recognition to reusable scientific applications, application developer tools, portals, workflow systems, etc. Gives recognition to application developers (people profiles) Access through web page AND web gadget Community features such as commenting, rating, tag-based groupings

Benefits: Register & share training events, expertise, services, materials, resources, online courses, university courses Browse and search items Community features such as commenting, rating Access through web page and web gadget Services of the Collaborative platform 2: Training Marketplace

Services of the Collaborative platform 3: Customer Management System (CRM) To capture leads and needs of scientific communities EGI CRM – main capabilities (based on vTiger CRM): –Register projects/communities –Register personal leads –Register details about ‘Potential for EGI use’ and ‘Interest in e-infrastructures’ Available to NGI International Liaisons and their collaborator at

Services of the Collaborative platform 4: Requirements tracker Technology Coordination Board EGI Requirements Tracker NGIs VRCs VOs User Community Support Team of EGI.eu Technology providers projects events Input channels for community requirements EGI Helpdesk User Community Board Operations Management Board Resource centres Structured scientific communities NGIs & projects

EGI Web Gadgets: Embed EGI services into Websites! The simplest way to reuse EGI services: embed EGI gadgets into your website Benefits –Customisability –Reusability –Compatibility Existing gadgets: –Application Database –Training Marketplace –Requirement Tracker –Grid Relational Catalogue Use and develop gadgets & share them through EGI:

EGI Virtual Team projects NGI International Liaisons –Single point of contact in NGIs for various activities, including Technical Outreach Virtual Team projects: –Short (1-6 month) project with multiple NGIs involved –Setup through NILs –Help EGI enlarge its user base Active VT projects with UCST’s involvement: –Science Gateway Primer (Final editing of the Primer document) –NGI-ELIXIR ESFRI collaboration (Since October) –Technology study for CTA ESFRI (Since January) –Towards a Chemistry, Molecular & Materials Science and Technology Virtual Research Community (In setup)

Wokflows Progression of steps (tasks, events, interactions) that –comprise a work process –involve two or more persons –create or add value to the organization's activities. Sequential workflow –each step is dependent on occurrence of the previous step Parallel workflow –two or more steps can occur concurrently

Workflow Management Systems A Workflow Management System (WMS) is a piece of software that provides an infrastructure to setup, execute, and monitor scientific workflows –An important function of an WMS during the workflow execution, or enactment, is the coordination of operation of individual components that constitute the workflow; this process is also often referred to as orchestration –Scientific workflows and WMSs have emerged to provide an easy-to-use way of specifying the tasks that have to be performed during a specific in silico experiment. The need to combine several tools into a single research analysis still holds, but technical details of workflow execution are now delegated to Workflow Management Systems.

Workflow Editor The skeleton of a workflow is represented by a Graph. Jobs denote the activities, which envelop insulated computations Channels are directed edges of a graph, directed from the output ports towards the input ports.

Workflow Editor We can rely on a local and a public workflow repository.

Graph creation Concrete workflow creation Concrete workflow configuration –Job types and corresponding properties –Port properties Certificate handling Submission –Log examination Submitted instance management Result evaluation Repository handling (export/import) Workflow services

CTA Gateway Workflows instances

SHIWA Motivation Isolation by technology –Many different workflow systems exists  We expect no change –Technological choice isolates users and user communities –Technological choice determines the adopted DCI/middleware (WS, gLite, Globus, etc.) Benefits of the SSP – SHIWA Simulation Platform –Share your own workflow, re-use workflows of others –Create and execute ‘meta-workflows’: built from smaller workflows that use different workflow languages/technologies –Combine workflows and DCIs SHIWA  ER-flow –SHIWA: FP7 R&D project. Created the SHIWA Simulation Platform ( ) –ER-flow: FP7 support action project. Disseminates the SHIWA technology ( ).

Generic use-cases DCI #1 DCI #2 CE SE CE SE DCI – distributed computing infrastructure; CE/SE – computing/storage element

Generic use-cases DCI #1 DCI #2 CE SE CE SE combine WFs find and re-use with own data on own CE? DCI – distributed computing infrastructure; CE/SE – computing/storage element

SHIWA Simulation Platform

SHIWA Repository: –A database where workflows and meta-data are stored –Central repository to discover and share workflows within and among communities SHIWA Portal: –A web portal that is integrated with the SHIWA Repository and includes a workflow executor engine –To integrate and/or to execute workflows from the Repository SHIWA Desktop: –A desktop environment that provides similar access capabilities than the SHIWA Portal –Runs on the users’ desktops/laptops instead of a portal server Workflow systems already integrated: –ASKALON, Galaxy, GWES, Kepler, LONI Pipeline, MOTEUR, P- GRADE, PEGASUS, ProActive, Taverna, Triana, WS-PGRADE

Access to various workflow engines and DCIs where these WF applications can be run Clouds Local clusters Supercomputers Desktop grids (BOINC, Condor, etc.) Cluster grids (EGI, OSG, …) Supercomputer grids (PRACE, XSEDE) Grid systems Distributed Computing Infrastructures (DCIs) What does the developer of a (meta)workflow need? SHIWA Repository Access to a large set of ready-to-run scientific workflow applications SHIWA Portal A portal/desktop to integrate, parameterize and run these applications Web services + Workflow engines

SHIWA Repository Facilitates publishing and sharing workflows Supports: Abstract workflows with multiple implementations of over 10 workflow systems Concrete workflows with execution specific data Available: From the SHIWA Portal Standalone interface:

Example: Create meta-workflow from Moteur and WS-PGRADE workflows SHIWA Repository SHIWA portal DCI 1 gLite DCI 2 Cloud DCI n ARC Access to Moteur WF Connected workflow engines Moteur WF engine

Remarks Scientific workflow landscape is fragmented –Many workflow system with specialised & small user base –Many workflows with specialised & small user base SHIWA Simulation Platform enables integration –Within disciplines –Across disciplines ER-flow project provides user support –Consultancy & Workshops –User forum –Open for new communities