CERN openlab Whitepaper on Future IT Challenges in Scientific Research

This whitepaper describes the major IT challenges in scientific research at CERN and several other European and international research laboratories and projects. Each challenge is exemplified through a set of concrete use cases drawn from the requirements of large-scale scientific programs. The paper is based on contributions from many researchers and IT experts of the participating laboratories and also input from the existing CERN openlab industrial sponsors. The views expressed in this document are those of the individual contributors and do not necessarily reflect the view of their organisations and/or affiliates

Real-time simulation and hardware-in-the-loop approaches for integrating renewable energy sources into smart grids : challenges & actions

The integration of distributed renewable energy sources and the multi-domain behaviours inside the cyber-physical energy system (smart grids) draws up major challenges. Their validation and roll out requires careful assessment, in term of modelling, simulation and testing. The traditional approach focusing on a particular object, actual hardware or a detailed model, while drastically simplifying the remainder of the system under test, is no longer sufficient. Real-time simulation and Hardware-in-the-Loop (HIL) techniques emerge as indispensable tools for validating the behaviour of renewable sources as well as their impact/interaction to with the cyber-physical energy system. This paper aims to provide an overview of the present status-quo of real-time and HIL approaches used for smart grids and their readiness for cyber-physical experiments. We investigate the current limitations of HIL techniques and point out necessary future developments. Subsequently, the paper highlights challenges that need specific attention as well as ongoing actions and further research directions

Efficiency of Web-Based, Computer and Mobile Software Applications in Facilitating Teaching and Learning of Chemical Concepts

Some of the most commonly used technologies for chemistry education are web-based, mobile, and computer software applications. Thus, this study investigated the teachers’ perceptions of the efficiency of web-based, mobile, and computer software applications in facilitating the teaching and learning of chemical concepts. The study adopted a survey research design to cover a large, scattered population in the shortest possible time. The survey was developed from the literature of related studies. About 266 responses were retrieved from an estimated population of 700 chemistry teachers in both public and private secondary schools, polytechnics and monotechnics, colleges of education, and universities across the Sokoto metropolis. The obtained data was computed and analysed using the Statistical Package for Social Sciences (SPSS) version 25. The result of the study reveals that chemistry teachers considered web-based, mobile, and computer software applications efficient in delivering effective classroom and laboratory instructions

Asynchronous Integration of Real-Time Simulators for HIL-based Validation of Smart Grids

As the landscape of devices that interact with the electrical grid expands, also the complexity of the scenarios that arise from these interactions increases. Validation methods and tools are typically domain specific and are designed to approach mainly component level testing. For this kind of applications, software and hardware-in-the-loop based simulations as well as lab experiments are all tools that allow testing with different degrees of accuracy at various stages in the development life-cycle. However, things are vastly different when analysing the tools and the methodology available for performing system-level validation. Until now there are no available well-defined approaches for testing complex use cases involving components from different domains. Smart grid applications would typically include a relatively large number of physical devices, software components, as well as communication technology, all working hand in hand. This paper explores the possibilities that are opened in terms of testing by the integration of a real-time simulator into co-simulation environments. Three practical implementations of such systems together with performance metrics are discussed. Two control-related examples are selected in order to show the capabilities of the proposed approach.Comment: IECON 2019 - 45th Annual Conference of the IEEE Industrial Electronics Societ

funcX: A Federated Function Serving Fabric for Science

Exploding data volumes and velocities, new computational methods and platforms, and ubiquitous connectivity demand new approaches to computation in the sciences. These new approaches must enable computation to be mobile, so that, for example, it can occur near data, be triggered by events (e.g., arrival of new data), be offloaded to specialized accelerators, or run remotely where resources are available. They also require new design approaches in which monolithic applications can be decomposed into smaller components, that may in turn be executed separately and on the most suitable resources. To address these needs we present funcX---a distributed function as a service (FaaS) platform that enables flexible, scalable, and high performance remote function execution. funcX's endpoint software can transform existing clouds, clusters, and supercomputers into function serving systems, while funcX's cloud-hosted service provides transparent, secure, and reliable function execution across a federated ecosystem of endpoints. We motivate the need for funcX with several scientific case studies, present our prototype design and implementation, show optimizations that deliver throughput in excess of 1 million functions per second, and demonstrate, via experiments on two supercomputers, that funcX can scale to more than more than 130000 concurrent workers.Comment: Accepted to ACM Symposium on High-Performance Parallel and Distributed Computing (HPDC 2020). arXiv admin note: substantial text overlap with arXiv:1908.0490

2016 International Land Model Benchmarking (ILAMB) Workshop Report

As earth system models (ESMs) become increasingly complex, there is a growing need for comprehensive and multi-faceted evaluation of model projections. To advance understanding of terrestrial biogeochemical processes and their interactions with hydrology and climate under conditions of increasing atmospheric carbon dioxide, new analysis methods are required that use observations to constrain model predictions, inform model development, and identify needed measurements and field experiments. Better representations of biogeochemistryclimate feedbacks and ecosystem processes in these models are essential for reducing the acknowledged substantial uncertainties in 21st century climate change projections

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

Using Provenance to support Good Laboratory Practice in Grid Environments

Conducting experiments and documenting results is daily business of scientists. Good and traceable documentation enables other scientists to confirm procedures and results for increased credibility. Documentation and scientific conduct are regulated and termed as "good laboratory practice." Laboratory notebooks are used to record each step in conducting an experiment and processing data. Originally, these notebooks were paper based. Due to computerised research systems, acquired data became more elaborate, thus increasing the need for electronic notebooks with data storage, computational features and reliable electronic documentation. As a new approach to this, a scientific data management system (DataFinder) is enhanced with features for traceable documentation. Provenance recording is used to meet requirements of traceability, and this information can later be queried for further analysis. DataFinder has further important features for scientific documentation: It employs a heterogeneous and distributed data storage concept. This enables access to different types of data storage systems (e. g. Grid data infrastructure, file servers). In this chapter we describe a number of building blocks that are available or close to finished development. These components are intended for assembling an electronic laboratory notebook for use in Grid environments, while retaining maximal flexibility on usage scenarios as well as maximal compatibility overlap towards each other. Through the usage of such a system, provenance can successfully be used to trace the scientific workflow of preparation, execution, evaluation, interpretation and archiving of research data. The reliability of research results increases and the research process remains transparent to remote research partners.Comment: Book Chapter for "Data Provenance and Data Management for eScience," of Studies in Computational Intelligence series, Springer. 25 pages, 8 figure