Recent Advances in Graph Partitioning

We survey recent trends in practical algorithms for balanced graph partitioning together with applications and future research directions

Survey of scientific programming techniques for the management of data-intensive engineering environments

The present paper introduces and reviews existing technology and research works in the field of scientific programming methods and techniques in data-intensive engineering environments. More specifically, this survey aims to collect those relevant approaches that have faced the challenge of delivering more advanced and intelligent methods taking advantage of the existing large datasets. Although existing tools and techniques have demonstrated their ability to manage complex engineering processes for the development and operation of safety-critical systems, there is an emerging need to know how existing computational science methods will behave to manage large amounts of data. That is why, authors review both existing open issues in the context of engineering with special focus on scientific programming techniques and hybrid approaches. 1193 journal papers have been found as the representative in these areas screening 935 to finally make a full review of 122. Afterwards, a comprehensive mapping between techniques and engineering and nonengineering domains has been conducted to classify and perform a meta-analysis of the current state of the art. As the main result of this work, a set of 10 challenges for future data-intensive engineering environments have been outlined.The current work has been partially supported by the Research Agreement between the RTVE (the Spanish Radio and Television Corporation) and the UC3M to boost research in the field of Big Data, Linked Data, Complex Network Analysis, and Natural Language. It has also received the support of the Tecnologico Nacional de Mexico (TECNM), National Council of Science and Technology (CONACYT), and the Public Education Secretary (SEP) through PRODEP

Roadmap on Electronic Structure Codes in the Exascale Era

Electronic structure calculations have been instrumental in providing many important insights into a range of physical and chemical properties of various molecular and solid-state systems. Their importance to various fields, including materials science, chemical sciences, computational chemistry and device physics, is underscored by the large fraction of available public supercomputing resources devoted to these calculations. As we enter the exascale era, exciting new opportunities to increase simulation numbers, sizes, and accuracies present themselves. In order to realize these promises, the community of electronic structure software developers will however first have to tackle a number of challenges pertaining to the efficient use of new architectures that will rely heavily on massive parallelism and hardware accelerators. This roadmap provides a broad overview of the state-of-the-art in electronic structure calculations and of the various new directions being pursued by the community. It covers 14 electronic structure codes, presenting their current status, their development priorities over the next five years, and their plans towards tackling the challenges and leveraging the opportunities presented by the advent of exascale computing