A survey of the European Open Science Cloud services for expanding the capacity and capabilities of multidisciplinary scientific applications

Open Science is a paradigm in which scientific data, procedures, tools and results are shared transparently and reused by society. The European Open Science Cloud (EOSC) initiative is an effort in Europe to provide an open, trusted, virtual and federated computing environment to execute scientific applications and store, share and reuse research data across borders and scientific disciplines. Additionally, scientific services are becoming increasingly data-intensive, not only in terms of computationally intensive tasks but also in terms of storage resources. To meet those resource demands, computing paradigms such as High-Performance Computing (HPC) and Cloud Computing are applied to e-science applications. However, adapting applications and services to these paradigms is a challenging task, commonly requiring a deep knowledge of the underlying technologies, which often constitutes a general barrier to its uptake by scientists. In this context, EOSC-Synergy, a collaborative project involving more than 20 institutions from eight European countries pooling their knowledge and experience to enhance EOSC’s capabilities and capacities, aims to bring EOSC closer to the scientific communities. This article provides a summary analysis of the adaptations made in the ten thematic services of EOSC-Synergy to embrace this paradigm. These services are grouped into four categories: Earth Observation, Environment, Biomedicine, and Astrophysics. The analysis will lead to the identification of commonalities, best practices and common requirements, regardless of the thematic area of the service. Experience gained from the thematic services can be transferred to new services for the adoption of the EOSC ecosystem framework. The article made several recommendations for the integration of thematic services in the EOSC ecosystem regarding Authentication and Authorization (federated regional or thematic solutions based on EduGAIN mainly), FAIR data and metadata preservation solutions (both at cataloguing and data preservation—such as EUDAT’s B2SHARE), cloud platform-agnostic resource management services (such as Infrastructure Manager) and workload management solutions.This work was supported by the European Union’s Horizon 2020 research and innovation programme under grant agreement No 857647, EOSC-Synergy, European Open Science Cloud - Expanding Capacities by building Capabilities. Moreover, this work is partially funded by grant No 2015/24461-2, São Paulo Research Foundation (FAPESP). Francisco Brasileiro is a CNPq/Brazil researcher (grant 308027/2020-5).Peer Reviewed"Article signat per 20 autors/es: Amanda Calatrava, Hernán Asorey, Jan Astalos, Alberto Azevedo, Francesco Benincasa, Ignacio Blanquer, Martin Bobak, Francisco Brasileiro, Laia Codó, Laura del Cano, Borja Esteban, Meritxell Ferret, Josef Handl, Tobias Kerzenmacher, Valentin Kozlov, Aleš Křenek, Ricardo Martins, Manuel Pavesio, Antonio Juan Rubio-Montero, Juan Sánchez-Ferrero "Postprint (published version

Helmholtz Portfolio Theme Large-Scale Data Management and Analysis (LSDMA)

The Helmholtz Association funded the "Large-Scale Data Management and Analysis" portfolio theme from 2012-2016. Four Helmholtz centres, six universities and another research institution in Germany joined to enable data-intensive science by optimising data life cycles in selected scientific communities. In our Data Life cycle Labs, data experts performed joint R&D together with scientific communities. The Data Services Integration Team focused on generic solutions applied by several communities

Elastic, Interoperable and Container-based Cloud Infrastructures for High Performance Computing

Tesis por compendio[ES] Las aplicaciones científicas implican generalmente una carga computacional variable y no predecible a la que las instituciones deben hacer frente variando dinámicamente la asignación de recursos en función de las distintas necesidades computacionales. Las aplicaciones científicas pueden necesitar grandes requisitos. Por ejemplo, una gran cantidad de recursos computacionales para el procesado de numerosos trabajos independientes (High Throughput Computing o HTC) o recursos de alto rendimiento para la resolución de un problema individual (High Performance Computing o HPC). Los recursos computacionales necesarios en este tipo de aplicaciones suelen acarrear un coste muy alto que puede exceder la disponibilidad de los recursos de la institución o estos pueden no adaptarse correctamente a las necesidades de las aplicaciones científicas, especialmente en el caso de infraestructuras preparadas para la ejecución de aplicaciones de HPC. De hecho, es posible que las diferentes partes de una aplicación necesiten distintos tipos de recursos computacionales. Actualmente las plataformas de servicios en la nube se han convertido en una solución eficiente para satisfacer la demanda de las aplicaciones HTC, ya que proporcionan un abanico de recursos computacionales accesibles bajo demanda. Por esta razón, se ha producido un incremento en la cantidad de clouds híbridos, los cuales son una combinación de infraestructuras alojadas en servicios en la nube y en las propias instituciones (on-premise). Dado que las aplicaciones pueden ser procesadas en distintas infraestructuras, actualmente la portabilidad de las aplicaciones se ha convertido en un aspecto clave. Probablemente, las tecnologías de contenedores son la tecnología más popular para la entrega de aplicaciones gracias a que permiten reproducibilidad, trazabilidad, versionado, aislamiento y portabilidad. El objetivo de la tesis es proporcionar una arquitectura y una serie de servicios para proveer infraestructuras elásticas híbridas de procesamiento que puedan dar respuesta a las diferentes cargas de trabajo. Para ello, se ha considerado la utilización de elasticidad vertical y horizontal desarrollando una prueba de concepto para proporcionar elasticidad vertical y se ha diseñado una arquitectura cloud elástica de procesamiento de Análisis de Datos. Después, se ha trabajo en una arquitectura cloud de recursos heterogéneos de procesamiento de imágenes médicas que proporciona distintas colas de procesamiento para trabajos con diferentes requisitos. Esta arquitectura ha estado enmarcada en una colaboración con la empresa QUIBIM. En la última parte de la tesis, se ha evolucionado esta arquitectura para diseñar e implementar un cloud elástico, multi-site y multi-tenant para el procesamiento de imágenes médicas en el marco del proyecto europeo PRIMAGE. Esta arquitectura utiliza un almacenamiento distribuido integrando servicios externos para la autenticación y la autorización basados en OpenID Connect (OIDC). Para ello, se ha desarrollado la herramienta kube-authorizer que, de manera automatizada y a partir de la información obtenida en el proceso de autenticación, proporciona el control de acceso a los recursos de la infraestructura de procesamiento mediante la creación de las políticas y roles. Finalmente, se ha desarrollado otra herramienta, hpc-connector, que permite la integración de infraestructuras de procesamiento HPC en infraestructuras cloud sin necesitar realizar cambios en la infraestructura HPC ni en la arquitectura cloud. Cabe destacar que, durante la realización de esta tesis, se han utilizado distintas tecnologías de gestión de trabajos y de contenedores de código abierto, se han desarrollado herramientas y componentes de código abierto y se han implementado recetas para la configuración automatizada de las distintas arquitecturas diseñadas desde la perspectiva DevOps.[CA] Les aplicacions científiques impliquen generalment una càrrega computacional variable i no predictible a què les institucions han de fer front variant dinàmicament l'assignació de recursos en funció de les diferents necessitats computacionals. Les aplicacions científiques poden necessitar grans requisits. Per exemple, una gran quantitat de recursos computacionals per al processament de nombrosos treballs independents (High Throughput Computing o HTC) o recursos d'alt rendiment per a la resolució d'un problema individual (High Performance Computing o HPC). Els recursos computacionals necessaris en aquest tipus d'aplicacions solen comportar un cost molt elevat que pot excedir la disponibilitat dels recursos de la institució o aquests poden no adaptar-se correctament a les necessitats de les aplicacions científiques, especialment en el cas d'infraestructures preparades per a l'avaluació d'aplicacions d'HPC. De fet, és possible que les diferents parts d'una aplicació necessiten diferents tipus de recursos computacionals. Actualment les plataformes de servicis al núvol han esdevingut una solució eficient per satisfer la demanda de les aplicacions HTC, ja que proporcionen un ventall de recursos computacionals accessibles a demanda. Per aquest motiu, s'ha produït un increment de la quantitat de clouds híbrids, els quals són una combinació d'infraestructures allotjades a servicis en el núvol i a les mateixes institucions (on-premise). Donat que les aplicacions poden ser processades en diferents infraestructures, actualment la portabilitat de les aplicacions s'ha convertit en un aspecte clau. Probablement, les tecnologies de contenidors són la tecnologia més popular per a l'entrega d'aplicacions gràcies al fet que permeten reproductibilitat, traçabilitat, versionat, aïllament i portabilitat. L'objectiu de la tesi és proporcionar una arquitectura i una sèrie de servicis per proveir infraestructures elàstiques híbrides de processament que puguen donar resposta a les diferents càrregues de treball. Per a això, s'ha considerat la utilització d'elasticitat vertical i horitzontal desenvolupant una prova de concepte per proporcionar elasticitat vertical i s'ha dissenyat una arquitectura cloud elàstica de processament d'Anàlisi de Dades. Després, s'ha treballat en una arquitectura cloud de recursos heterogenis de processament d'imatges mèdiques que proporciona distintes cues de processament per a treballs amb diferents requisits. Aquesta arquitectura ha estat emmarcada en una col·laboració amb l'empresa QUIBIM. En l'última part de la tesi, s'ha evolucionat aquesta arquitectura per dissenyar i implementar un cloud elàstic, multi-site i multi-tenant per al processament d'imatges mèdiques en el marc del projecte europeu PRIMAGE. Aquesta arquitectura utilitza un emmagatzemament integrant servicis externs per a l'autenticació i autorització basats en OpenID Connect (OIDC). Per a això, s'ha desenvolupat la ferramenta kube-authorizer que, de manera automatitzada i a partir de la informació obtinguda en el procés d'autenticació, proporciona el control d'accés als recursos de la infraestructura de processament mitjançant la creació de les polítiques i rols. Finalment, s'ha desenvolupat una altra ferramenta, hpc-connector, que permet la integració d'infraestructures de processament HPC en infraestructures cloud sense necessitat de realitzar canvis en la infraestructura HPC ni en l'arquitectura cloud. Es pot destacar que, durant la realització d'aquesta tesi, s'han utilitzat diferents tecnologies de gestió de treballs i de contenidors de codi obert, s'han desenvolupat ferramentes i components de codi obert, i s'han implementat receptes per a la configuració automatitzada de les distintes arquitectures dissenyades des de la perspectiva DevOps.[EN] Scientific applications generally imply a variable and an unpredictable computational workload that institutions must address by dynamically adjusting the allocation of resources to their different computational needs. Scientific applications could require a high capacity, e.g. the concurrent usage of computational resources for processing several independent jobs (High Throughput Computing or HTC) or a high capability by means of using high-performance resources for solving complex problems (High Performance Computing or HPC). The computational resources required in this type of applications usually have a very high cost that may exceed the availability of the institution's resources or they are may not be successfully adapted to the scientific applications, especially in the case of infrastructures prepared for the execution of HPC applications. Indeed, it is possible that the different parts that compose an application require different type of computational resources. Nowadays, cloud service platforms have become an efficient solution to meet the need of HTC applications as they provide a wide range of computing resources accessible on demand. For this reason, the number of hybrid computational infrastructures has increased during the last years. The hybrid computation infrastructures are the combination of infrastructures hosted in cloud platforms and the computation resources hosted in the institutions, which are named on-premise infrastructures. As scientific applications can be processed on different infrastructures, the application delivery has become a key issue. Nowadays, containers are probably the most popular technology for application delivery as they ease reproducibility, traceability, versioning, isolation, and portability. The main objective of this thesis is to provide an architecture and a set of services to build up hybrid processing infrastructures that fit the need of different workloads. Hence, the thesis considered aspects such as elasticity and federation. The use of vertical and horizontal elasticity by developing a proof of concept to provide vertical elasticity on top of an elastic cloud architecture for data analytics. Afterwards, an elastic cloud architecture comprising heterogeneous computational resources has been implemented for medical imaging processing using multiple processing queues for jobs with different requirements. The development of this architecture has been framed in a collaboration with a company called QUIBIM. In the last part of the thesis, the previous work has been evolved to design and implement an elastic, multi-site and multi-tenant cloud architecture for medical image processing has been designed in the framework of a European project PRIMAGE. This architecture uses a storage integrating external services for the authentication and authorization based on OpenID Connect (OIDC). The tool kube-authorizer has been developed to provide access control to the resources of the processing infrastructure in an automatic way from the information obtained in the authentication process, by creating policies and roles. Finally, another tool, hpc-connector, has been developed to enable the integration of HPC processing infrastructures into cloud infrastructures without requiring modifications in both infrastructures, cloud and HPC. It should be noted that, during the realization of this thesis, different contributions to open source container and job management technologies have been performed by developing open source tools and components and configuration recipes for the automated configuration of the different architectures designed from the DevOps perspective. The results obtained support the feasibility of the vertical elasticity combined with the horizontal elasticity to implement QoS policies based on a deadline, as well as the feasibility of the federated authentication model to combine public and on-premise clouds.López Huguet, S. (2021). Elastic, Interoperable and Container-based Cloud Infrastructures for High Performance Computing [Tesis doctoral]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/172327TESISCompendi

Colaboración regional para la circulación del conocimiento: Inspiraciones desde Latinoamérica

En septiembre de 2021 se llevó a cabo el Latmétricas 2021, evento virtual de carácter regional que congregó otros dos encuentros: el III Latmetrics y el II Simposio Latinoamericano sobre Estudios Métricos en Ciencia y Tecnología. Esta jornada, inédita y bilingüe, tuvo como propósito unir dos colectivos en una alianza que generara “un espacio de diálogo común que permit[ier]a conocer el panorama general de los estudios métricos de la ciencia y la tecnología desde un punto de vista comprensivo y multidimensional en Latinoamérica” (Latmétricas, 2021).In September 2021, Latmetricas 2021 was held, a regional virtual event that brought together two other meetings: the III Latmetrics and the II Latin American Symposium on Metric Studies in Science and Technology. This conference, unprecedented and bilingual, had the purpose of uniting two groups in an alliance that would generate “a space for common dialogue that would allow us to learn about the general panorama of metric studies of science and technology from a comprehensive point of view and multidimensional in Latin America” (Latmetricas, 2021)

Big Data Analytics and Application Deployment on Cloud Infrastructure

This dissertation describes a project began in October 2016. It was born from the collaboration between Mr.Alessandro Bandini and me, and has been developed under the supervision of professor Gianluigi Zavattaro. The main objective was to study, and in particular to experiment with, the cloud computing in general and its potentiality in the data elaboration field. Cloud computing is a utility-oriented and Internet-centric way of delivering IT services on demand. The first chapter is a theoretical introduction on cloud computing, analyzing the main aspects, the keywords, and the technologies behind clouds, as well as the reasons for the success of this technology and its problems. After the introduction section, I will briefly describe the three main cloud platforms in the market. During this project we developed a simple Social Network. Consequently in the third chapter I will analyze the social network development, with the initial solution realized through Amazon Web Services and the steps we took to obtain the final version using Google Cloud Platform with its charateristics. To conclude, the last section is specific for the data elaboration and contains a initial theoretical part that describes MapReduce and Hadoop followed by a description of our analysis. We used Google App Engine to execute these elaborations on a large dataset. I will explain the basic idea, the code and the problems encountered

Laniakea: an open solution to provide Galaxy "on-demand" instances over heterogeneous cloud infrastructures

Background: Galaxy is rapidly becoming the de facto standard among workflow managers for bioinformatics. A rich feature set, its overall flexibility, and a thriving community of enthusiastic users are among the main factors contributing to the popularity of Galaxy and Galaxy based applications. One of the main advantages of Galaxy consists in providing access to sophisticated analysis pipelines, e.g., involving numerous steps and large data sets, even to users lacking computer proficiency, while at the same time improving reproducibility and facilitating teamwork and data sharing among researchers. Although several Galaxy public services are currently available, these resources are often overloaded with a large number of jobs and offer little or no customization options to end users. Moreover, there are scenarios where a private Galaxy instance still constitutes a more viable alternative, including, but not limited to, heavy workloads, data privacy concerns or particular needs of customization. In such cases, a cloud-based virtual Galaxy instance can represent a solution that overcomes the typical burdens of managing the local hardware and software infrastructure needed to run and maintain a production-grade Galaxy service. Results: Here we present Laniakea, a robust and feature-rich software suite which can be deployed on any scientific or commercial Cloud infrastructure in order to provide a "Galaxy on demand" Platform as a Service (PaaS). Laying its foundations on the INDIGO-DataCloud middleware, which has been developed to accommodate the needs of a large number of scientific communities, Laniakea can be deployed and provisioned over multiple architectures by private or public e-infrastructures. The end user interacts with Laniakea through a front-end that allows a general setup of the Galaxy instance, then Laniakea takes charge of the deployment both of the virtual hardware and all the software components. At the end of the process the user has access to a private, production-grade, yet fully customizable, Galaxy virtual instance. Laniakea's supports the deployment of plain or cluster backed Galaxy instances, shared reference data volumes, encrypted data volumes and rapid development of novel Galaxy flavours, that is Galaxy configurations tailored for specific tasks. As a proof of concept, we provide a demo Laniakea instance hosted at an ELIXIR-IT Cloud facility. Conclusions: The migration of scientific computational services towards virtualization and e-infrastructures is one of the most visible trends of our times. Laniakea provides Cloud administrators with a ready-to-use software suite that enables them to offer Galaxy, a popular workflow manager for bioinformatics, as an on-demand PaaS to their users. We believe that Laniakea can concur in making the many advantages of using Galaxy more accessible to a broader user base by removing most of the burdens involved in running a private instance. Finally, Laniakea's design is sufficiently general and modular that could be easily adapted to support different services and platforms beyond Galaxy

Cloud Computing cost and energy optimization through Federated Cloud SoS

2017 Fall.Includes bibliographical references.The two most significant differentiators amongst contemporary Cloud Computing service providers have increased green energy use and datacenter resource utilization. This work addresses these two issues from a system's architectural optimization viewpoint. The proposed approach herein, allows multiple cloud providers to utilize their individual computing resources in three ways by: (1) cutting the number of datacenters needed, (2) scheduling available datacenter grid energy via aggregators to reduce costs and power outages, and lastly by (3) utilizing, where appropriate, more renewable and carbon-free energy sources. Altogether our proposed approach creates an alternative paradigm for a Federated Cloud SoS approach. The proposed paradigm employs a novel control methodology that is tuned to obtain both financial and environmental advantages. It also supports dynamic expansion and contraction of computing capabilities for handling sudden variations in service demand as well as for maximizing usage of time varying green energy supplies. Herein we analyze the core SoS requirements, concept synthesis, and functional architecture with an eye on avoiding inadvertent cascading conditions. We suggest a physical architecture that diminishes unwanted outcomes while encouraging desirable results. Finally, in our approach, the constituent cloud services retain their independent ownership, objectives, funding, and sustainability means. This work analyzes the core SoS requirements, concept synthesis, and functional architecture. It suggests a physical structure that simulates the primary SoS emergent behavior to diminish unwanted outcomes while encouraging desirable results. The report will analyze optimal computing generation methods, optimal energy utilization for computing generation as well as a procedure for building optimal datacenters using a unique hardware computing system design based on the openCompute community as an illustrative collaboration platform. Finally, the research concludes with security features cloud federation requires to support to protect its constituents, its constituents tenants and itself from security risks

High Energy Physics Forum for Computational Excellence: Working Group Reports (I. Applications Software II. Software Libraries and Tools III. Systems)

Computing plays an essential role in all aspects of high energy physics. As computational technology evolves rapidly in new directions, and data throughput and volume continue to follow a steep trend-line, it is important for the HEP community to develop an effective response to a series of expected challenges. In order to help shape the desired response, the HEP Forum for Computational Excellence (HEP-FCE) initiated a roadmap planning activity with two key overlapping drivers -- 1) software effectiveness, and 2) infrastructure and expertise advancement. The HEP-FCE formed three working groups, 1) Applications Software, 2) Software Libraries and Tools, and 3) Systems (including systems software), to provide an overview of the current status of HEP computing and to present findings and opportunities for the desired HEP computational roadmap. The final versions of the reports are combined in this document, and are presented along with introductory material.Comment: 72 page

Contributions to Edge Computing

Efforts related to Internet of Things (IoT), Cyber-Physical Systems (CPS), Machine to Machine (M2M) technologies, Industrial Internet, and Smart Cities aim to improve society through the coordination of distributed devices and analysis of resulting data. By the year 2020 there will be an estimated 50 billion network connected devices globally and 43 trillion gigabytes of electronic data. Current practices of moving data directly from end-devices to remote and potentially distant cloud computing services will not be sufficient to manage future device and data growth. Edge Computing is the migration of computational functionality to sources of data generation. The importance of edge computing increases with the size and complexity of devices and resulting data. In addition, the coordination of global edge-to-edge communications, shared resources, high-level application scheduling, monitoring, measurement, and Quality of Service (QoS) enforcement will be critical to address the rapid growth of connected devices and associated data. We present a new distributed agent-based framework designed to address the challenges of edge computing. This actor-model framework implementation is designed to manage large numbers of geographically distributed services, comprised from heterogeneous resources and communication protocols, in support of low-latency real-time streaming applications. As part of this framework, an application description language was developed and implemented. Using the application description language a number of high-order management modules were implemented including solutions for resource and workload comparison, performance observation, scheduling, and provisioning. A number of hypothetical and real-world use cases are described to support the framework implementation