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Cloud Computing at PDC Gert Svensson 1 Local private cloud test bed – for researchers First test bed: 12x32 cores 1 TB per node, 20 TB as NFS 2 Galaxy cloud test bed – for bioinformatics Also on Amazon via SNIC Clou administration Galaxy is an open, web-based platform for data intensive biomedical research. Whether on the free public server or your own instance, you can perform, reproduce, and share complete analyses. See http://galaxy.psu.edu 3 Cloud Computing @ Swedish National Infrastructure of Computing • • Phase 1: Neon project (2010) - SE, NO, FIN, DK, IS Phase 2: Public cloud usage for users in all Swedish HPC centras (2011-2012) Phase 1, CrossNordic project 4 Phase 2: Public cloud usage for users in all Swedish HPC centras (2011-2012) SNIC Cloud project facilitate Swedish and Norwegian researchers to use Public cloud in their research - without knowing much technical cloud details. In the first phase we are focusing on Amazon Web Services and later expand on adding other Public cloud offerings as-well-as Private cloud. Each SNIC center has: A budget of 250 ksek for helping their users into SNIC Cloud. A budget of 83 ksek for running on SNIC Cloud ( = Amazon costs, mangaged by PDC) 5 5 SNIC Cloud – Architecture (goal) Together with UNINETT SIGMA 6 (Norway) 6 SNIC Cloud - Current 3 Levels for now Level 3 - AWS User (isolation) Level 2 - AWS User (no isolation) Level 1 - AWS Instance ( ssh, isolation) 7 7 Stay updated! www.pdc.kth.se/resources/computers/swecloud www.pdc.kth.se/resources/computers/pdc-cloud SNIC Cloud & SNIC Cloud @ PDC Åke Edlund http://www.pdc.kth.se/members/edlund 8 8 8 Cloud and eScience Examples from Venus-C http://www.venus-c.eu/ 9 User Communities Civil Engineering • Empowering individual researchers with the ability to run computing intensive tasks Building Information Management Static and dynamic structural simulations Energy Consumption simulation Virtual Prototyping Rendering and visualization Soil and foundations analysis • Integration of multiple services on single platforms - SaaS • Cloud-enabled management of data • Target users: SMEs and Research Centres • Potential community in the order of thousands of users Structural Analysis Environment interaction Simulation 10 10 User Communities Civil Engineering • Empowering individual researchers with the Cloud serving computing ability to run computing intensive tasks intensive services on a Building Information Management global BIM platform with Static and dynamic structural simulations several thousands of users Energy Consumption simulation Virtual Prototyping Rendering and visualization Soil and foundations analysis Based on ParaFEM, with more than world-wide • Integration500 of citations multiple services on single platforms - SaaS Based on the code energy+, officiallyof data • Cloud-enabled management recommended by the North-American • Target users: SMEs and Research DOE Support from their developers Centres • Potential community in the order Integrated in a commercial GUI with a user of thousands of users community of more than 1000 downloads seamlessly switching from local to cloud resources 11 Structural Analysis Environment interaction Simulation 11 User Communities Molecular, Cellular and Genetic Biology 1/2 • Providing bioinformaticians with tools and worflows for daily intensive research Gapped Mapping through BLAST or BWA Simulation of the dynamics of complex biological systems Phylogenetic Inference Assembly and SNP identification • Web-portals and CLI front-ends to cloud • Generation of Reference databases • Target users: Bioinformaticians • Community in the order of thousands of users Bioinformatics Phylogenic Analysis Loci Mapping System Biology 12 12 User Communities Molecular, Cellular and Genetic Biology 1/2 • Providing bioinformaticians with tools and Cloud-enabled BLAST with worflows for the daily research sameintensive interface as the Gapped Mappingsequential through BLAST or BWA one Simulation of the dynamics of complex biological systems Analysis ofInference the evolutionary Phylogenetic divergences of specific genes among Assembly and SNP identification Bioinformatics Assembly of sequences andPhylogenic • Web-portals and CLI front-endslocation to cloud Analysis of SNPs species • Generation of Reference databases • Target users: Bioinformaticians Integrated environment of services for simulating • Community inprocessing the order of thousands dynamics of in-silico Biological of users Loci Mapping System Biology systems 13 13 User Communities Molecular, Cellular and Genetic Biology 2/2 • Providing biologists with tools and databases for research on molecular basis of diseases Micro-Arrays Quality Prediction of targets for micro RNA Analysis of Micro-Array data • Web-portals and CLI front-ends to cloud • Integration and population of reference databases • Target users: Biologists • Community in the order of thousands of users MicroRNA Micro-Arrays data 14 14 User Communities Molecular, Cellular and Genetic Biology 2/2 • Providing biologists with tools and databases for research on molecular basis Statistical analysis of microof diseases Prediction of targets for micro RNA Analysis of Micro-Array data Micro-Arrays Quality array data • Web-portals and CLI front-ends to cloud Micro-arrays analysis and • Integration and population of reference integration with annotation databases databases • Target users: Biologists • Community in the order of thousands of users MicroRNA Micro-Arrays data Prediction of the activation of proteins, leading to discoveries in cancer therapies 15 15 User Communities Chemistry • Empowering drug design with the ability to run computing intensive in-silico experiments Biological activity response Immune system response Biological damage of pollutants Quantitative structure-activity relationship pipeline • Integration of well-known tools such as QSAR pipeline or AutoDock • Large-scale computing and complex workflows • Target users: SMEs and Research Centres • Existing community in the order of thousands of users QSAR Optimisation Cloud Against Disease Molecular Docking Workflows 16 16 User Communities Chemistry • Empowering drug design with the ability to run computing intensive in-silico experiments Biological activity response To identify new inhibitors through the use of QSAR Immune system response Biological damage of pollutants Quantitative structure-activity relationship pipeline Biological activity response of new • Integration of well-known tools such as QSAR leads pipeline or AutoDock • Large-scale computing and complex workflows • Target users: SMEs and Research Centres • Existing community in the order of thousands of users QSAR Optimisation Cloud Against Disease Molecular Docking Workflows 17 17 User Communities Medicine • Providing cloud storage and computing for personalized medicine Radiotherap y Planning Simulating Radiotherapy doses in e-IMRT Analysing vital signs from Intensive Care Units Analysis of Diffusion Tensor Imaging in Intensive Care Functional Units Imaging • Integration of environments such as Matlab • Working with anonymised data in complex workflows • Target users: Hospitals and Research Centres • Wide existing community in the order of thousands of users Functional Brain Imaging 18 18 User Communities Medicine • Providing cloud storage and computing for personalized medicine Accurately planning Radiotherap y Planning Simulating Radiotherapy radiotherapydoses doses in e-IMRT Analysing vital signs from Intensive Care Units Analysis of Diffusion Tensor Imaging in Intensive Care Functional Units Imaging Creating and Analysing a database of signs from real patients • Integration ofvital environments such as Matlab • Working with anonymised data in complex Functional workflows Brain Imaging • Target users: Hospitals Research Functionaland Imaging analysis for Centres psychiatric • Wide existing community in diseases the order of thousands of users 19 19 User Communities Biology & Biodiversity • Providing cloud computing resources for the simulation of biomechanics and biodiversity Gait simulation in bipedal species Occurrence maps of marine species • Integration of external data sources and data infrastructures • Integrated framework for biodiversity research • Target users: Biodiversity researchers, Food organizations and image rendering • Wide existing community Gait Simulation Aquamaps 20 20 User Communities Biology & Biodiversity • Providing cloud computing resources for the simulation of Realistic simulation of biomechanics and biodiversity bipedal walking animations differentspecies creatures Gait simulation in of bipedal including dinosaurs Occurrence maps of marine species • Integration of external data sources and data infrastructures • Integrated framework for biodiversity research • Target users: Biodiversity researchers, Food organizations and image rendering • Wide existing community Gait Simulation Aquamaps 21 21 User Communities Maths and Mech Engineering • Cloud services for naval and mechanical engineering and cloudenabled software numeric libraries Analysing vessel’s traits in oceans Optimising the configuration of bevel gears Vessel Taritas Bevel Gears Numeric libraries for GAP (Groups, Algorithms and Programming) • Components for enhanced computations • Intensive computing on the cloud • Target users: Engineers, authorities, academy • Final services and general-purpose sw libraries targeting a wide community in Academia GAP 22 22 User Communities Maths and Mech Engineering • Cloud services for naval and mechanical engineering and cloudDetecting suspicious enabled software behavior of vessels in numeric libraries Oceans Vessel Taritas Analysing vessel’s traits in oceans Bevel Gears Optimising the configuration of bevel gears Numeric librariesPorting for GAP (Groups, Algorithms of KegelSpan simulation software on the cloudand Programming) • Components for enhanced computations • Intensive computing on the cloud Parallel computing of group theory • Target users: Engineers, authorities, computation academy • Final services and general-purpose sw libraries targeting a wide community in 23 Academia GAP 23 User Communities Information and Comm. Tech. • Cloud services for e-Learning and analysing public social data Twitter Analysis of twitter data Cloud-enabled e-Learning Trends • Combination of structured data and intensive computing • Target users: General Public, sociologists, eLearning Academia • Final services and for political and social trends and improved learning 24 24 User Communities Information and Comm. Tech. • Cloud services for e-Learning and analysing public social data Twitter Analysis of twitter data Cloud-enabled e-Learning Data mining to discover social trends Trends in twitter data and • Combination of structured intensive computing • Target users: General Public, sociologists, eLearning Academia Using the cloud for the of e-learning material • Final services andcustomization for political and social trends and improved learning 25 25 User Communities Earth Sciences, Civil Protection & Physics • Cloud-enables services for reacting against crisis and astronomical databases Estimating Fire Risk and Fire propagation Simulating the propagation of earth quakes Computing different configurations of galaxies • Real-time services for the reaction against fires and earthquakes • Key data for studying the origin of the universe • Target users: Civil servants, Physics • Services for public interest and input datafor key research (such as Dark Matter) Fire Risk & Simulation Earthquakes Simulation of Galaxies 26 26 User Communities Earth Sciences, Civil Protection & Physics • Cloud-enables services for reacting against Dynamically allocating more and crisis resources in high-risk hours astronomical databases Fire Risk & Simulation for quicker reaction Estimating Fire Risk and Fire propagation Simulating the propagation of earth quakes Computing different Predictionconfigurations of induced damage,ofin galaxies a very short time after the occurrence of • Real-time services for the reaction against a large fires and earthquakes earthquake • Key data for studying the origin of the Creatinguniverse a database of different potential configuration • Target users: Civil servants, Physics of galaxies after Big Bang , leading to better • Services for public interest and input knowledge of Dark datafor Matter key research (such as Dark Matter) distribution Earthquakes Simulation of Galaxies 27 27