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Abstract: Presents the front cover for this issue of the publication. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Pages: 4 - 4 Abstract: Provides a listing of current committee members and society officers. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
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Authors:
Timo Betcke;Hans-Joachim Bungartz;Garth Wells;Scott Woodley;
Pages: 5 - 7 Abstract: The articles in this special section focus on the ExCalibur high performance computing program. In 2019, the UK Government funded the Exascale Computing Algorithms and Infrastructures Benefitting UK Research (ExCALIBUR) Programa with an investment of £45.7m, led by the Met Office and EPSRC along with other U.K. research bodies. The vision of ExCALIBUR is to prepare the U.K. hardware and software landscape for the emerging age of exascale computing. The ExCALIBUR priorities are as follows: 1) Separation of Concerns, 2) Co-Design, 3) Data Science, and 4) Investing in People. In 2020, in the first round of ExCALIBUR, 10 software Design and Development Working Groups (DDWG) were formed, each representing a different community and tasked with developing high-priority use cases, the cost-effective strategy to enable these, and demonstrate collaborative progress toward the successful transition to exascale. Significant funds have been invested in 2021 to support a number of these DDWGs for a further three years with some of the DDWGs combining their efforts after identifying common possible solutions to remove underlying bottlenecks in their different applications. These longer three-year projects will see substantial software and other outputs, benefiting the international HPC community. In terms of hardware, the U.K PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Pages: 7 - 7 Abstract: Provides a listing of current committee members and society officers. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
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Authors:
Michèle Weiland;Mark Parsons;
Pages: 8 - 13 Abstract: The preparations for Exascale computing started over a decade ago and EPCC, the supercomputing center at The University of Edinburgh, was at the heart of these efforts from the beginning. In this article, we revisit some of the key research projects that have paved our Exascale path for the past ten years and look to the future. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Pages: 13 - 13 Abstract: Prospective authors are requested to submit new, unpublished manuscripts for inclusion in the upcoming event described in this call for papers. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Authors:
Richard Bower;Benedict D. Rogers;Matthieu Schaller;
Pages: 14 - 25 Abstract: In this article, we introduce the work of the Massively Parallel Particle Hydrodynamics working group, part of the U.K.’s ExCALIBUR software initiative. The aim of the group is to develop extensible software suitable for simulating complex hydrodynamics problems on exascale computing facilities using a Lagrangian particle-based approach. These methods complement mesh-based approaches, and are particularly suited to problems with a large and fluid dynamic range or that involve free surfaces. The code we are developing uses fine-grained task parallelism to achieve a good load balance, when the workload varies greatly from fluid element to element. We describe how components from astrophysics and engineering are being brought together to further develop this interesting approach, and outline some of the challenges, such as enabling task execution on graphics processing units, that the working group will need to solve in order to extract the full potential of exascale systems. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Pages: 25 - 25 Abstract: Provides a listing of current committee members and society officers. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
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Authors:
Gábor D. Balogh;Tobias S. Flynn;Sylvain Laizet;Gihan R. Mudalige;István Z. Reguly;
Pages: 26 - 35 Abstract: In this article, we present a novel distributed memory tridiagonal solver library, targeting large-scale systems based on modern multicore and many-core processor architectures. The library uses methods based on both approximate and exact algorithms. Performance comparisons with the state of the art, using both a large Cray EX system and a GPU cluster show the algorithmic tradeoffs required at increasing machine scale to achieve good performance, particularly considering the advent of exascale systems. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Authors:
Thomas W. Keal;Alin-Marin Elena;Alexey A. Sokol;Karen Stoneham;Matt I. J. Probert;Clotilde S. Cucinotta;David J. Willock;Andrew J. Logsdail;Andrea Zen;Phil J. Hasnip;Ian J. Bush;Matthew Watkins;Dario Alfè;Chris-Kriton Skylaris;Basile F. E. Curchod;Qiong Cai;Scott M. Woodley;
Pages: 36 - 45 Abstract: The transition to exascale computing will make possible simulations of unprecedented accuracy and complexity. We focus on materials and molecular modeling (MMM) aspiring to high fidelity, in silico experiments on complex systems of technological interest. This progress will present unprecedented challenges to the software used, especially how to exploit the huge degree of parallelism and the associated problems of creating effective workflows and data management on such platforms. Within the U.K.’s ExCALIBUR computing initiative, our U.K.-led MMM Design and Development Working Group has worked with the broad MMM community to identify high-priority applications that will drive future exascale software developments. We present an overview of selected case studies that pose new methodological challenges on exascale platforms and discuss the requirements, software challenges, and impact of each application area. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Pages: 45 - 45 Abstract: Provides a listing of current committee members and society officers. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
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Authors:
Matthew Smith;Arjen Tamerus;Phil Hasnip;
Pages: 46 - 55 Abstract: In this article, we present work to port the CASTEP first-principles materials modeling program to accelerators using open accelerator (OpenACC). We discuss the challenges and opportunities presented by graphical processing units (GPU) architectures in particular, and the approach taken in the CASTEP OpenACC port. Whilst the port is still under active development, early performance results show that significant speed-ups may be gained, particularly for materials simulations using so-called “nonlocal functionals,” where speed-ups can exceed a factor of ten. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Pages: 55 - 55 Abstract: Provides a listing of current committee members and society officers. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Authors:
Charlie Catlett;Pete Beckman;Nicola Ferrier;Michael E. Papka;Rajesh Sankaran;Jeff Solin;Valerie Taylor;Douglas Pancoast;Daniel Reed;
Pages: 57 - 63 Abstract: Chicago's Array of Things (AoT) project is aptly described as a technology experiment or a “smart city” prototype. The concept of such an extensible “instrument” arose within a larger translational research vision applying computer science and engineering research for the multidimensional benefit of people and communities in cities. The AoT project hypothesized that wireless intelligent sensor networks could enable both quantitative social science and urban monitoring while also stimulating youth interest in science and technology. Successful deployment of such sensor networks could provide open data from urban measurements not only in support of diverse research questions—in environmental dynamics, urban architecture, engineering, and social sciences—but also informing community groups and city planners. The AoT project and its successor SAGE project are a computer science and engineering experiment, but its success is inextricably tied to community engagement and experiential education. Simply put, community acceptance is a prerequisite to installing and testing the instrument. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Authors:
Andrew Cary;John Chawner;Earl Duque;William Gropp;Bil Kleb;Ray Kolonay;Eric Nielsen;Brian Smith;
Pages: 64 - 70 Abstract: In 2014, NASA released a report outlining a future state for aerospace computational fluid dynamics (CFD), the CFD Vision 2030 Study (the Study).1 Developed by experts from industry, government, and academia, the Study provided a forecast of CFD capabilities required for turbulent, transitional, and reacting flow simulations across a broad Mach number regime. In addition, the Study provided an aspirational role for future CFD as part of a routine, efficient, and physics-based aerospace design and development process. This future role of CFD was summarized in the Study as follows: “A single engineer/scientist must be able to conceive, create, analyze, and interpret a large ensemble of related simulations in a time-critical period (e.g., 24 hours), without individually managing each simulation, to a prespecified level of accuracy.” PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Authors:
Barry C. Husowitz;
Pages: 72 - 77 Abstract: Thermodynamic potentials can be used to study various phase phenomena. In particular, they can be used to determine the phase coexistence of a liquid and vapor for a simple van der Waals fluid, which relates the interactions and size of particles (molecules/atoms) represented by spheres as simple constants a and b, respectively. Phase coexistence at a given temperature for a simple fluid is determined using Newton’s method, thermodynamic potentials, and the conditions of phase coexistence. From this information, we are able to construct a phase diagram of the vapor and liquid densities versus the temperature. The constructed phase diagram shows how the simple van der Waals fluid predicts the occurrence of a critical point (point at which the fluid is no longer simply characterized as a gas or liquid but rather a liquid and gaseous fluid or critical fluid) as opposed to the ideal gas law. This phase diagram can then be further used to study homogeneous (a pure solution or solution containing a single molecule/atoms) and inhomogeneous (mixture or solution containing multiple molecules/atoms or a substrate/wall) nucleation by classical density functional theory in statistical mechanics. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Authors:
Jim Brase;Nancy Campbell;Barbara Helland;Thuc Hoang;Manish Parashar;Michael Rosenfield;James Sexton;John Towns;
Pages: 78 - 85 Abstract: In March of 2020, recognizing the potential of High Performance Computing (HPC) to accelerate understanding and the pace of scientific discovery in the fight to stop COVID-19, the HPC community assembled the largest collection of worldwide HPC resources to enable COVID-19 researchers worldwide to advance their critical efforts. Amazingly, the COVID-19 HPC Consortium was formed within one week through the joint effort of the Office of Science and Technology Policy (OSTP), the U.S. Department of Energy (DOE), the National Science Foundation (NSF), and IBM to create a unique public–private partnership between government, industry, and academic leaders. This article is the Consortium's story–how the Consortium was created, its founding members, what it provides, how it works, and its accomplishments. We will reflect on the lessons learned from the creation and operation of the Consortium and describe how the features of the Consortium could be sustained as a National Strategic Computing Reserve to ensure the nation is prepared for future crises. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
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Pages: 86 - 86 Abstract: Reports on CS publications that are seeking Editors-in-Chief. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
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Pages: 87 - 87 Abstract: ABOUT THE AWARD: Established in memory of Charles Babbage in recognition of signifi cant contributions in the fi eld of parallel computation. The candidate would have made an outstanding, innovative contribution or contributions to parallel computation. It is hoped, but not required, that the winner will have also contributed to the parallel computation community through teaching, mentoring, or community service. ABOUT CHARLES BABBAGE: Charles Babbage, an English mathematician, philosopher, inventor, and mechanical engineer who is best remembered now for originating the concept of a programmable computer. CRITERIA: This award covers all aspects of parallel computing including computational aspects, novel applications, parallel algorithms, theory of parallel computation, parallel computing technologies, among others. AWARD & PRESENTATION: A certifi cate and a $1,000 honorarium presented to a single recipient. The winner will be invited to present a paper and/or presentation at the annual IEEE CS International Parallel and Distributed Processing Symposium. NOMINATION SUBMISSION: Open to all. Three endorsements are required. The award shall be presented to a single recipient. Self-nominations are not accepted. Submit nominations to www.computer.org /volunteering/awards/babbage. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
Please help us test our new pre-print finding feature by giving the pre-print link a rating. A 5 star rating indicates the linked pre-print has the exact same content as the published article.
Pages: 88 - 88 Abstract: Presents a call for nominations for select CS society awards. PubDate:
Jan.-Feb. 1 2022
Issue No:Vol. 24, No. 1 (2022)
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