SCI-BUS is supported by the FP7 Capacities Programme under contract no. RI Creating a Multi-Cloud System with the CloudBroker Platform Dr. Wibke Sudholt CloudBroker GmbH Räffelstrasse 25, CH-8045 Zürich, Switzerland Phone: Web:

© CloudBroker GmbH All rights reserved. Overview Cloud computing CloudBroker Platform SCI-BUS project Further examples / SCI-BUS Summer School 2013

SCI-BUS is supported by the FP7 Capacities Programme under contract no. RI Cloud Computing

© CloudBroker GmbH All rights reserved. Cloud Definition According to the US National Institute of Standards and Technology (NIST) Essential characteristics – On-demand self service – Broad network access – Resource pooling – Rapid elasticity – Measured service Service models – Software as a Service (SaaS) – Platform as a Service (PaaS) – Infrastructure as a Service (IaaS) Deployment models – Private cloud – Community cloud – Public cloud – Hybrid cloud / 4 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. What is new? Combination of previously existing technologies Change in IT business model, OpEx instead of CapEx Outsourcing, automation, service orientation and economy of scale Interfaces between providers and users set at the right place Wholesale instead of handcrafted version of IT / SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Advantages of Cloud Immediate, on demand access Availability of otherwise unreachable resources Nearly unlimited scalability Dynamic load balancing, cloud bursting No long-term binding, flexibility User self service Pay-per-use with minimal initial investment Focus on core competencies / 6 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Challenges of Cloud Hype, cloud washing Complexity and dynamics Performance limitations, dependency on network Standardization and vendor lock-in issues Security, privacy and legal concerns New service and business model / 7 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Clouds for Scientific Computing Lots of computing resources and specialized application software needed Resources often either not existing at all or at capacity limit Hardware and software expensive, time-consuming and complex to buy, set up, use and maintain Mostly project-based or periodical usage patterns ⇒ Ideal case for cloud computing ⇒ Clouds make large-scale scientific computing resources also accessible for SMEs, small research groups, niche applications and short-term projects / SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Science Gateways and Clouds According to the EGI-InSPIRE Science Gateway Primer Three principle approaches by which science gateways can interact with cloud computing – Utilize cloud computing resources for the services they offer – Run in the cloud themselves – Adopt the cloud business model / SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Scientific Computing Cloud Stack HPC IaaS PaaS SaaS Gate- way User / 10 SCI-BUS Summer School 2013

SCI-BUS is supported by the FP7 Capacities Programme under contract no. RI CloudBroker Platform

© CloudBroker GmbH All rights reserved. CloudBroker Platform Web application store for the deployment and execution of compute-intensive scientific and technical software on different clouds Uses IaaS from cloud providers Offers PaaS for software vendors and SaaS for end users On demand, pay-per-use, browser, programmatic and command-line access, cross-domain Easy to use, no need for own scientific computing infrastructure, speeds up time to results, OpEx instead of CapEx / 12 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Platform Cloud Stack HPC IaaS PaaS SaaS Gate- way User CloudBroker Platform / 13 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Platform Cloud Stack IaaS SaaS PaaS SaaS PaaS Gate- way User CloudBroker Platform / 14 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Platform Architecture User Tools Java Client Library CloudBroker Platform … Cloud Chemistry Appli- cations Biology Appli- cations Pharma Appli- cations Web Browser UI … Appli- cations REST Web Service API CloudBroker Integration End Users, Software Vendors, Resource Providers CLI Engineering Appli- cations Euca- lyptus Cloud Open- Nebula Cloud Open- Stack Cloud IBM Cloud Amazon Cloud / 15 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. … Cloud Eucalyptus Cloud OpenNebula Cloud OpenStack Cloud Platform Functionality Security Frame: Transport Layer Security, Access Rights Security IBM Cloud Application Manager Application Manager Process Monitor Process Monitor Resource Manager Resource Manager Web Service API Web Browser UI Tools IBM Adapter IBM Adapter OpenStack Adapter Cloud Provider Access Manager Scalability and Fault Tolerance Handler User Manager User Manager Accounting Module Accounting Module Billing Module Billing Module Payment Module Payment Module Queuing System Queuing System Storage Manager Storage Manager Image Manager Image Manager Process Manager Process Manager Amazon Cloud Amazon Adapter Users OpenNebul a Adapter Eucalyptus Adapter … Adapter / 16 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Available Cloud Adapters Virtual machines – Amazon EC2 – IBM SmartCloud Enterprise – OpenStack EC2 and Nova – OpenNebula – Eucalyptus Object storage – Amazon S3 – IBM Nirvanix – OpenStack S3 – Ceph RADOS ⇒ More cloud adapters continuously to be added ⇒ Users can use and pay for public resources registered by CloudBroker and others ⇒ Users can register and charge for their own resources, just cloud compute and storage accounts needed / 17 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Platform Security Security Certified Data Center CBP. Corporate IT Corporate IT SSL Secured Connection Authentication Industry Standard Server Security Technology CBP. Industry Standard Secure Data Center Security Certified Compute and Storage Cloud Technology Customer CloudBroker Cloud Provider SSL secured connection Corporate Security Policies and Standards Authentication to VM SSL Secured Connection Authentication to Cloud CloudBroker Platform Industry Standard Application Security Technology Cloud Instances Dedicated, Secured and Restricted Virtual Machines Client Browser or Application Client Browser or Application / 18 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Interaction of Tiers / SCI-BUS Summer School 2013 Client Plat- form Master Node Worker Node 1 Worker Node 2 Object Storage Image

© CloudBroker GmbH All rights reserved. User roles: admin, advanced, standard Resource and software visibility: private, protected, public User, Resource and Software Management / SCI-BUS Summer School 2013 CloudBroker Platform Organization 1: Resources, Software, Invoices User 1.2: Jobs, Data Files, Instances Organization 2: Resources, Software, Invoices User 2.1: Jobs, Data Files, Instances User 2.2: Jobs, Data Files, Instances

© CloudBroker GmbH All rights reserved. Application Requirements ItemRequirements / Possibilities TypeScientific and technical applications DomainAll LicenseOpen source, free, commercial CharacterCompute-intensive, batch-oriented InterfaceCommand line, non-interactive RuntimeHours, days, weeks Operating systemLinux ParallelizationSingle-threaded / single-core, multi-threaded / multi-core, embarrassingly parallel / high throughput, parallel across nodes (via MPI or other methods) WorkflowsSingle jobs, pipeline jobs, parameter sweeps (via API) / 21 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Ported Applications Chemistry – Gromacs, Siesta Biology – BLAST, X! Tandem, Rosetta, T- Coffee, FoldX, ClustalW, Clustal Omega Pharma – AutoDock Engineering – OpenFOAM, ASCOMP TransAT, Elmer Rendering – Blender General – Shell scripts, R, Akka, PHP, wrapper script ⇒ More application software continuously to be added ⇒ Users can use and pay for public software deployed by CloudBroker and others ⇒ Users can deploy and charge for their own software, just installation script and software package needed / 22 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Clients and APIs CLI Command line interface Job submission Java Application programming interface Java client library REST Representational state transfer Web service interface / 23 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Public Platform Public CloudBroker Platform version under Free organization and user account after registration and validation Standard pricing = (resource charges + software charges) × (1 + CloudBroker surcharge percentage) Freemium model: CloudBroker surcharges only for commercial and pay-per-use cloud resources and application software Production version: Monitored, maintained and regularly updated Helpdesk under Also available as hosted and licensed versions / SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved / SCI-BUS Summer School 2013

SCI-BUS is supported by the FP7 Capacities Programme under contract no. RI SCI-BUS Project

© CloudBroker GmbH All rights reserved. SCI-BUS Project Overview Project – SCI-BUS = SCIentific gateway Based User Support – Supported by the EU FP7 Capacities Programme under contract no. RI – Running 10/ /2014 – Partners – 15 consortium members from 10 different countries (10 academic, 5 commercial) – 6 subcontractors – Growing number of associated partners (signing of MoU) Goals – Build science gateways for different communities and domains – Provide researchers seamless access to major computing, data and networking infrastructures and services – Focus on scientific workflows – Develop corresponding gateway technology / SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. CloudBroker’s Role in SCI-BUS Provide connection to public and private, commercial and academic, proprietary and open cloud infrastructures via the CloudBroker Platform Support the integration of the CloudBroker Platform as new distributed computing infrastructure (DCI) in WS-PGRADE/gUSE Enable science gateways to charge for their services via the CloudBroker Platform Lead the project’s efforts towards sustainability and development of business models / SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. SCI-BUS SCI-BUS Cloud Stack HPC IaaS PaaS SaaS Gate- way User CloudBroker Platform / 29 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. WS-PGRADE/ gUSE SCI-BUS Cloud Stack HPC IaaS SaaS PaaS SaaS PaaS Gate- way User CloudBroker Platform / 30 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. SCI-BUS Architecture / 31 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Current Clouds in SCI-BUS Public commercial clouds – Amazon Web Services – IBM SmartCloud Enterprise Private academic clouds – MTA SZTAKI, Hungary: OpenNebula and Ceph RADOS – BIFI, University of Zaragoza, Spain: OpenStack – ETH and University of Zurich, Switzerland: OpenStack – University of Westminster, UK: OpenStack / 32 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. WS-PGRADE/gUSE Source: / 33 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. CloudBroker Platform Integration in WS-PGRADE/gUSE Methodology – Collaboration between MTA SZTAKI, CloudBroker and ScaleTools – Use of the CloudBroker Platform Java client library – Coordination of updates Implemented features – CloudBroker DCI Bridge configuration portlet – CloudBroker security portlet – Concrete workflow portlet extension for CloudBroker jobs – Support for running own applications via a wrapper script – Display of costs Upcoming features – Display of prices and invoices Future features – Different types of user mapping – Data Bridge integration Source: / 34 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Current SCI-BUS Gateways Adria Science Portal AEGIS CMPC Portal agINFRA Science Gateway AutoDock Portal BIFI-Unizar Portal Citizen Web Community Gateway AMC e-BioInfra Gateway Etics Portal iportal MoSGrid Portal NVG Science Gateway Portal Public gUSE Portal RenderFarm.fi SHIWA Simulation Platform SimBusPro Portal Statistical Seismology Science Gateway TR-Grid gUSE Gateway VisIVO Gateway HELIOGate Portal Westminster DG Portal WRF4SG / 35 SCI-BUS Summer School 2013

SCI-BUS is supported by the FP7 Capacities Programme under contract no. RI Further Examples

© CloudBroker GmbH All rights reserved. Protein Modelling Setup – Collaboration between IBM, CloudBroker and the Institute of Molecular Systems Biology (IMSB) at ETH Zurich – Goal is to better understand the mechanisms of infectious diseases – For the example of the Strepto- coccus bacterium, predict the 3D structures of important proteins from their 1D sequences by means of the Rosetta software – Use the CloudBroker Platform to manage the calculations on top of IBM SmartCloud Enterprise compute and storage resources Results – 249 target proteins modeled – More than 1’000 CPUs used in parallel – About 36’000 jobs automatically managed – Almost 250‘000 CPU hours consumed – 2.3 Mio 3D protein structure models created – Less than two weeks runtime / 37 SCI-BUS Summer School 2013 Source: Dr. Lars Malmström, IMSB, ETH Zurich

© CloudBroker GmbH All rights reserved. Interfacing in KNIME KNIME = Konstanz Information Miner Open-source data integration, processing, analysis and exploration framework supported by KNIME.com AG Experimental CloudBroker Platform KNIME node Computational chemistry workflow showcase: Calculate the dipole moments for a number of molecules / 38 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. Web UI for TransAT TransAT = Transport phenomena Analysis Tool Computational multiphase fluid dynamics (CMFD) software from ASCOMP GmbH Collaboration with Hochschule für Technik Rapperswil (HSR), Switzerland Bachelor thesis “Web UI-Front-End for Fluid Dynamics Cloud” Microsoft Silverlight-based TransAT web UI Source: Anita Hollenstein and Patrice Müller, p / 39 SCI-BUS Summer School 2013

© CloudBroker GmbH All rights reserved. UberCloud HPC Experiment Heat Transfer Use Case Collaboration with Biscarri Consultoria SL, Spain, CSC IT Center for Science Ltd., Finland, and CAELinux, Switzerland Team 30 of UberCloud HPC Experiment Application of Elmer finite element software for multiphysical problems on a heat transfer use case Using Amazon Cluster Compute instances via the CloudBroker Platform Results show that scalability is determined by network backbone performance / SCI-BUS Summer School 2013 Source: Biscarri Consultoria SL, see also

© CloudBroker GmbH All rights reserved. CloudSME Project EU FP7 project Led by University of Westminster, involving 12 SMEs Part of the “ICT for Manufacturing SMEs” (I4MS) initiative in the Public Private Partnership “Factories of the Future” (PPP FoF) Starting from July 2013 onwards Cloud-based one-stop-shop for simulations in manufacturing and engineering SaaS and PaaS solutions / SCI-BUS Summer School 2013 Source:

SCI-BUS is supported by the FP7 Capacities Programme under contract no. RI Thank you! – Questions? For more information Web: Public platform: Helpdesk: