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Asymmetric multi-cores (AMCs) are a successful architectural solution for both mobile devices and supercomputers. By maintaining two types of cores (fast and slow) AMCs are able to provide high performance under the facility power budget. This paper performs the first extensive evaluation of how portable are the current HPC applications for such supercomputing systems. Specifically we evaluate several execution models on an ARM big.LITTLE AMC using the PARSEC benchmark suite that includes representative highly parallel applications. We compare schedulers at the user, OS and runtime levels, using both static and dynamic options and multiple configurations, and assess the impact of these options on the well-known problem of balancing the load across AMCs. Our results demonstrate that scheduling is more effective when it takes place in the runtime system level as it improves the baseline by 23%, while the heterogeneous-aware OS scheduling solution improves the baseline by 10%. ; This work has been supported by the RoMoL ERC Advanced Grant (GA 321253), by the European HiPEAC Network of Excellence, by the Spanish Ministry of Science and Innovation (contracts TIN2015-65316-P), by the Generalitat de Catalunya (contracts 2014-SGR-1051 and 2014-SGR-1272), and by the European Union's Horizon 2020 research and innovation programme under grant agreement No 671697 and No. 779877. M. Moretó has been partially supported by the Ministry of Economy and Competitiveness under Ramon y Cajal fellowship number RYC-2016-21104. ; Peer Reviewed ; Postprint (author's final draft)

Asymmetric multi-cores (AMCs) are a successful architectural solution for both mobile devices and supercomputers. By maintaining two types of cores (fast and slow) AMCs are able to provide high performance under the facility power budget. This paper performs the first extensive evaluation of how portable are the current HPC applications for such supercomputing systems. Specifically we evaluate several execution models on an ARM big.LITTLE AMC using the PARSEC benchmark suite that includes representative highly parallel applications. We compare schedulers at the user, OS and runtime levels, using both static and dynamic options and multiple configurations, and assess the impact of these options on the well-known problem of balancing the load across AMCs. Our results demonstrate that scheduling is more effective when it takes place in the runtime system level as it improves the baseline by 23%, while the heterogeneous-aware OS scheduling solution improves the baseline by 10%. ; This work has been supported by the RoMoL ERC Advanced Grant (GA 321253), by the European HiPEAC Network of Excellence, by the Spanish Ministry of Science and Innovation (contracts TIN2015-65316-P), by the Generalitat de Catalunya (contracts 2014-SGR-1051 and 2014-SGR-1272), and by the European Union's Horizon 2020 research and innovation programme under grant agreement No 671697 and No. 779877. M. Moretó has been partially supported by the Ministry of Economy and Competitiveness under Ramon y Cajal fellowship number RYC-2016-21104. ; Peer Reviewed ; Postprint (author's final draft)

OpenMP is traditionally focused on boosting performance in HPC systems. However, other domains are showing an increasing interest in the use of OpenMP by virtue of key aspects introduced in recent versions of the specification: the tasking model, the accelerator model, and other features like the requires and the assumes directives, which allow defining certain contracts. One example is the safety-critical embedded domain, where several efforts have been initiated towards the adoption of OpenMP. However, the OpenMP specification states that "application developers are responsible for correctly using the OpenMP API to produce a conforming program", being not acceptable in high integrity systems, where aspects such as reliability and resiliency have to be ensured at different levels of criticality. In this scope, programming languages like Ada propose a different paradigm by exposing fewer features to the user, and leaving the responsibility of safely exploiting the full underlying architecture to the compiler and the runtime systems, instead. The philosophy behind this kind of model is to move the responsibility of producing correct parallel programs from users to vendors. In this panel, actors from different domains involved in the use of parallel programming models for the development of high-integrity systems share their thoughts about this topic. ; This work has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No 871669. We would also like to express our gratitude to the organizers of the HILT workshop. ; Peer Reviewed ; Postprint (author's final draft)

Large scale time-dependent particle simulations can generate massive amounts of data, making it so that storing the results is often the slowest phase and the primary time bottleneck of the simulation. Furthermore, analysing this amount of data with traditional tools has become increasingly challenging, and it is often virtually impossible to have a visual representation of the full set. We propose a novel architecture that integrates an HPC-based multi-physics simulation code, a NoSQL database, and a data analysis and visualisation application. The goals are two: On the one hand, we aim to speed up the simulations taking advantage of the scalability of key-value data stores, while at the same time enabling real-time approximated data visualisation and interactive exploration. On the other hand, we want to make it efficient to explore and analyse the large data base of results produced. Therefore, this work represents a clear example of integrating High Performance Computing with High Performance Data Analytics. Our prototype proves the validity of our approach and shows great performance improvements. Indeed, we reduced by 67.5% the time to store the simulation while we made real-time queries run 52 times faster than alternative solutions. ; This work has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No 720270 (HBP SGA1). It is also partially supported by the grant SEV-2011-00067 of Severo Ochoa Program, the TIN2015-65316-P project, with funding from the Spanish Ministry of Economy and Competitivity, the European Union FEDER funds, and the SGR 2014-SGR-1051. ; Peer Reviewed ; Postprint (published version)

Large scale time-dependent particle simulations can generate massive amounts of data, making it so that storing the results is often the slowest phase and the primary time bottleneck of the simulation. Furthermore, analysing this amount of data with traditional tools has become increasingly challenging, and it is often virtually impossible to have a visual representation of the full set. We propose a novel architecture that integrates an HPC-based multi-physics simulation code, a NoSQL database, and a data analysis and visualisation application. The goals are two: On the one hand, we aim to speed up the simulations taking advantage of the scalability of key-value data stores, while at the same time enabling real-time approximated data visualisation and interactive exploration. On the other hand, we want to make it efficient to explore and analyse the large data base of results produced. Therefore, this work represents a clear example of integrating High Performance Computing with High Performance Data Analytics. Our prototype proves the validity of our approach and shows great performance improvements. Indeed, we reduced by 67.5% the time to store the simulation while we made real-time queries run 52 times faster than alternative solutions. ; This work has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No 720270 (HBP SGA1). It is also partially supported by the grant SEV-2011-00067 of Severo Ochoa Program, the TIN2015-65316-P project, with funding from the Spanish Ministry of Economy and Competitivity, the European Union FEDER funds, and the SGR 2014-SGR-1051. ; Peer Reviewed ; Postprint (published version)

Process malleability has proved to have a highly positive impact on the resource utilization and global productivity in data centers compared with the conventional static resource allocation policy. However, the non-negligible additional development effort this solution imposes has constrained its adoption by the scientific programming community. In this work, we present DMRlib, a library designed to offer the global advantages of process malleability while providing a minimalist MPI-like syntax. The library includes a series of predefined communication patterns that greatly ease the development of malleable applications. In addition, we deploy several scenarios to demonstrate the positive impact of process malleability featuring different scalability patterns. Concretely, we study two job submission modes (rigid and moldable) in order to identify the best-case scenarios for malleability using metrics such as resource allocation rate, completed jobs per second, and energy consumption. The experiments prove that our elastic approach may improve global throughput by a factor higher than 3x compared to the traditional workloads of non-malleable jobs. ; This work was supported by projects TIN2014-53495-R, TIN2015-65316-P, and TIN2017-82972-R from MINECO and FEDER. This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska Curie grant agreement No. 749516. Sergio Iserte was supported by a postdoctoral fellowship from Generalitat Valenciana and European Social Fund APOSTD/2020/026. Finally, the authors want to thank the anonymous reviewers whose suggestions significantly improved the quality of this manuscript. ; Peer Reviewed ; Postprint (author's final draft)

High fidelity Computational Fluid Dynamics simulations are generally associated with large computing requirements, which are progressively acute with each new generation of supercomputers. However, significant research efforts are required to unlock the computing power of leading-edge systems, currently referred to as pre-Exascale systems, based on increasingly complex architectures. In this paper, we present the approach implemented in the computational mechanics code Alya. We describe in detail the parallelization strategy implemented to fully exploit the different levels of parallelism, together with a novel co-execution method for the efficient utilization of heterogeneous CPU/GPU architectures. The latter is based on a multi-code co-execution approach with a dynamic load balancing mechanism. The assessment of the performance of all the proposed strategies has been carried out for airplane simulations on the POWER9 architecture accelerated with NVIDIA Volta V100 GPUs. ; This work is partially supported by the BSC-IBM Deep Learning Research Agreement, under JSA \Application porting, analysis and optimization for POWER and POWER AI". It has also been partially supported by the EX-CELLERAT project funded by the European Commission's ICT activity of the H2020 Programme under grant agreement number: 823691. It has also received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement number: 846139 (Exa-FireFlows). This paper expresses the opinions of the authors and not necessarily those of the European Commission. The European Commission is not liable for any use that may be made of the information contained in this paper. This work has also been nan- cially supported by the Ministerio de Economia, Industria y Competitividad, of Spain (TRA2017-88508-R). The computing experiments of this paper have been performed on the resources of the Barcelona Supercomputing Center. ; Peer Reviewed ; Postprint (author's final draft)

In this article, we describe the context in which an international race towards Exascale computing has started. We cover the political and economic context and make a review of the recent history in high performance computing (HPC) architectures, with special emphasis on the recently announced European initiatives to reach Exascale computing in Europe. We conclude by describing current challenges and trends. ; Peer Reviewed ; Postprint (author's final draft)

Task-based programming models offer a flexible way to express the unstructured parallelism patterns of nowadays complex applications. This expressive capability is required to achieve maximum possible performance for applications that are executed in distributed execution platforms. In current task-based workflows, tasks are launched for execution when their data dependencies are satisfied. However, even though the data dependencies of a certain task might have been already produced, the execution of this task will be delayed until its predecessor tasks completely finish their execution. As a consequence of this approach of releasing dependencies, the amount of parallelism inherent in applications is limited and performance improvement opportunities are wasted. To mitigate this limitation, we propose an eager approach for releasing data dependencies. Following this approach, the execution of tasks will not be delayed until their predecessor tasks completely finish their execution, instead, tasks will be launched for execution as soon as their data requirements are available. Hence, more parallelism is exposed and applications can achieve higher levels of performance by overlapping the execution of tasks. Towards achieving this goal, in this paper we propose applying two changes to task-based workflow systems. First, modifying the dependency relationships of tasks to be specified not only in terms of predecessor and successor tasks but also in terms of the data that caused these dependencies. Second, triggering the release of dependencies as soon as a predecessor task generates the output data instead of having to wait until the end of the predecessor execution to release all of its dependencies. We realize this proposal using PyCOMPSs: a task-based programming model for parallelizing Python applications. Our experiments show that using an eager approach for releasing dependencies achieves more than 50% performance improvement in the total execution time as compared to the default approach of releasing dependencies. ; This work is partially supported by the European Union through the Horizon 2020 research and innovation programme under contracts 721865 (EXPERTISE Project) by the Spanish Government (SEV2015-0493,TIN2015-65316-P) and the Generalitat de Catalunya (contract 2014-SGR1051). ; Peer Reviewed ; Postprint (author's final draft)

Energy efficiency has become the main challenge for high performance computing (HPC). The use of mobile asymmetric multi-core architectures to build future multi-core systems is an approach towards energy savings while keeping high performance. However, it is not known yet whether such systems are ready to handle parallel applications. This paper fills this gap by evaluating emerging parallel applications on an asymmetric multi-core. We make use of the PARSEC benchmark suite and a processor that implements the ARM big.LITTLE architecture. We conclude that these applications are not mature enough to run on such systems, as they suffer from load imbalance. Furthermore, we explore the behaviour of dynamic scheduling solutions on either the Operating System (OS) or the runtime level. Comparing these approaches shows us that the most efficient scheduling takes place in the runtime level, influencing the future research towards such solutions. ; This work has been supported by the Spanish Government (SEV2015-0493), by the Spanish Ministry of Science and Innovation (contracts TIN2015-65316-P), by Generalitat de Catalunya (contracts 2014-SGR-1051 and 2014-SGR-1272), by the RoMoL ERC Advanced Grant (GA 321253) and the European HiPEAC Network of Excellence. The Mont-Blanc project receives funding from the EU's Seventh Framework Programme (FP7/2007-2013) under grant agreement number 610402 and from the EU's H2020 Framework Programme (H2020/2014-2020) under grant agreement number 671697. M. Moretó has been partially supported by the Ministry of Economy and Competitiveness under Juan de la Cierva postdoctoral fellowship number JCI-2012-15047. M. Casas is supported by the Secretary for Universities and Research of the Ministry of Economy and Knowledge of the Government of Catalonia and the Cofund programme of the Marie Curie Actions of the 7th R&D Framework Programme of the European Union (Contract 2013 BP B 00243). ; Peer Reviewed ; Postprint (author's final draft)

Energy efficiency has become the main challenge for high performance computing (HPC). The use of mobile asymmetric multi-core architectures to build future multi-core systems is an approach towards energy savings while keeping high performance. However, it is not known yet whether such systems are ready to handle parallel applications. This paper fills this gap by evaluating emerging parallel applications on an asymmetric multi-core. We make use of the PARSEC benchmark suite and a processor that implements the ARM big.LITTLE architecture. We conclude that these applications are not mature enough to run on such systems, as they suffer from load imbalance. Furthermore, we explore the behaviour of dynamic scheduling solutions on either the Operating System (OS) or the runtime level. Comparing these approaches shows us that the most efficient scheduling takes place in the runtime level, influencing the future research towards such solutions. ; This work has been supported by the Spanish Government (SEV2015-0493), by the Spanish Ministry of Science and Innovation (contracts TIN2015-65316-P), by Generalitat de Catalunya (contracts 2014-SGR-1051 and 2014-SGR-1272), by the RoMoL ERC Advanced Grant (GA 321253) and the European HiPEAC Network of Excellence. The Mont-Blanc project receives funding from the EU's Seventh Framework Programme (FP7/2007-2013) under grant agreement number 610402 and from the EU's H2020 Framework Programme (H2020/2014-2020) under grant agreement number 671697. M. Moretó has been partially supported by the Ministry of Economy and Competitiveness under Juan de la Cierva postdoctoral fellowship number JCI-2012-15047. M. Casas is supported by the Secretary for Universities and Research of the Ministry of Economy and Knowledge of the Government of Catalonia and the Cofund programme of the Marie Curie Actions of the 7th R&D Framework Programme of the European Union (Contract 2013 BP B 00243). ; Peer Reviewed ; Postprint (author's final draft)

The COVID-19 pandemic has created an extraordinary medical, economic and humanitarian emergency. Artificial intelligence, in combination with other digital technologies, is being used as a tool to support the fight against the viral pandemic that has affected the entire world since the beginning of 2020. Barcelona Supercomputing Center collaborates in the battle against the coronavirus in different areas: the application of bioinformatics for the research on the virus and its possible treatments, the use of artificial intelligence, natural language processing and big data techniques to analyse the spread and impact of the pandemic, and the use of the MareNostrum 4 supercomputer to enable massive analysis on COVID-19 data. Many of these activities have included the use of personal and sensitive data of citizens, which, even during a pandemic, should be treated and handled with care. In this work we discuss our approach based on an ethical, transparent and fair use of this information, an approach aligned with the guidelines proposed by the European Union. ; Peer Reviewed ; Postprint (author's final draft)

This book goes into a detailed investigation of adapting artificial neural network (ANN) and structural equation modeling (SEM) techniques in marketing and consumer research. The aim of using a dual-stage SEM and ANN approach is to obtain linear and non-compensated relationships because the ANN method captures non-compensated relationships based on the black box technology of artificial intelligence. Hence, the ANN approach validates the results of the SEM method. In addition, such the novel emerging approach increases the validity of the prediction by determining the importance of the variables. Consequently, the number of studies using SEM-ANN has increased, but the different types of study cases that show customization of different processes in ANNs method combination with SEM are still unknown, and this aspect will be affecting to the generation results. Thus, there is a need for further investigation in marketing and consumer research. This book bridges the significant gap in this research area. The adoption of SEM and ANN techniques in social commerce and consumer research is massive all over the world. Such an expansion has generated more need to learn how to capture linear and non-compensatory relationships in such area. This book would be a valuable reading companion mainly for business and management students in higher academic organizations, professionals, policy-makers, and planners in the field of marketing. This book would also be appreciated by researchers who are keenly interested in social commerce and consumer research.

Arbitrary high order numerical methods for time-harmonic acoustic scattering problems originally defined on unbounded domains are constructed. This is done by coupling recently developed high order local absorbing boundary conditions (ABCs) with finite difference methods for the Helmholtz equation. These ABCs are based on exact representations of the outgoing waves by means of farfield expansions. The finite difference methods, which are constructed from a deferred-correction (DC) technique, approximate the Helmholtz equation and the ABCs, with the appropriate number of terms, to any desired order. As a result, high order numerical methods with an overall order of convergence equal to the order of the DC schemes are obtained. A detailed construction of these DC finite difference schemes is presented. Additionally, a rigorous proof of the consistency of the DC schemes with the Helmholtz equation and the ABCs in polar coordinates is also given. The results of several numerical experiments corroborate the high order convergence of the novel method. ; The first and third authors acknowledge the support provided by the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant No 777778 (MATHROCKS), and by the Office of Research and Creative Activities (ORCA) of Brigham Young University, United States of America. The work of S. Acosta was partially supported by National Science Foundation, United States of America [grant number DMS-1712725]. O. Rojas was also partially supported by the European Union's Horizon 2020 research and innovation programme under the ChEESE project, grant agreement No. 823844. ; Peer Reviewed ; Postprint (author's final draft)

Controlled-source electromagnetic (CSEM) measurements are complementary data for magnetotelluric (MT) characterization although its methodology on land is not sufficiently developed and tested as in marine environments. Acquiring expertise in CSEM is crucial for surveys in places where MT cannot be performed due to high levels of cultural noise. To acquire that expertise, we perform CSEM experiments in the Vallès fault [Northeast (NE), Spain], where MT results have been satisfactory and allow us to verify the CSEM results. The Vallès basin is relevant for potential heat generation because of the presence of several geothermal anomalies and its nearby location in urban areas. In this article, we present the experimental setup for that region, a 2-D joint MT+CSEM inverse model, several 3-D CSEM simulations in the presence of metallic casing, and its comparison with real data measurements. We employ a parallel and high-order vector finite element algorithm to discretize the governing equations. By using an adapted meshing strategy, different scenarios are simulated to study the influence of the source position/direction and the conductivity model in a metallic casing presence. An excellent agreement between the simulated data and analytical/real field data demonstrates the feasibility of study metallic structures in realistic configurations. Our numerical results confirm that metallic casing strongly influences electromagnetic (EM) responses, making surface measurements more sensitive to resistivity variations near the metallic structure. It could be beneficial getting higher signal-to-noise ratios and sensitivity to deep targets. However, such a casing effect depends on the input model (e.g., conductivity contrasts, frequency, and geometry). ; This work was been developed in the frame of GEOURBAN project (PCI2018-092943 and PCI2018-093186). This work has received also partial funding from the European Union's Horizon 2020 programme under the Marie Sklodowska-Curie grant agreement N777778. Also, the research leading to these results has received funding from the European Union's Horizon 2020 programme, grant agreement N828947, and from the Mexican Department of Energy, CONACYT-SENER Hidrocarburos grant agreement N B-S-69926. Furthermore, this project has been 65% cofinanced by the European Regional Development Fund (ERDF) through the Interreg V-A Spain-France-Andorra program (POCTEFA2014-2020). POCTEFA aims to reinforce the economic and social integration of the French-Spanish-Andorran border. Its support is focused on developing economic, social and environmental cross-border activities through joint strategies favouring sustainable territorial development. The authors would like to thank the Editors-in-Chief and to both reviewers for their valuable comments and suggestions that helped to improve the manuscript's quality. This work benefitted from the valuable suggestions, comments, and proofreading of Dr. Josep de la Puente (BSC). ; Peer Reviewed ; Postprint (author's final draft)