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Numerical software in computational science and engineering often relies on highly-optimized building blocks from libraries such as BLAS and LAPACK, and while such libraries provide portable performance for a wide range of computing…

Mathematical Software · Computer Science 2019-06-21 Daniele G. Spampinato , Diego Fabregat-Traver , Markus Püschel , Paolo Bientinesi

High precision atomic data is indispensable for experiments involving studies of fundamental interactions, astrophysics, atomic clocks, plasma science, and others. We develop new parallel atomic structure codes and explore the difficulties…

Atomic Physics · Physics 2021-03-11 C. Cheung , M. S. Safronova , S. G. Porsev

Heterogeneous systems are becoming more common on High Performance Computing (HPC) systems. Even using tools like CUDA and OpenCL it is a non-trivial task to obtain optimal performance on the GPU. Approaches to simplifying this task include…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-01-11 Marek Blazewicz , Steven R. Brandt , Peter Diener , David M. Koppelman , Krzysztof Kurowski , Frank Löffler , Erik Schnetter , Jian Tao

A varying number of particles is one of the most relevant characteristics of systems of interest in nature and technology, ranging from the exchange of energy and matter with the surrounding environment to the change of particle number…

Mathematical Physics · Physics 2025-10-15 Mauricio J. del Razo , Luigi Delle Site

We present a code modularization approach to design efficient and massively parallel cubic and linear-scaling solvers for electronic structure calculations using atomic orbitals. The modular implementation of the orbital minimization…

Materials Science · Physics 2023-04-27 Irina V. Lebedeva , Alberto Garcia , Emilio Artacho , Pablo Ordejon

Many appplications in computational science are sufficiently compute-intensive that they depend on the power of parallel computing for viability. For all but the "embarrassingly parallel" problems, the performance depends upon the level of…

High Energy Physics - Lattice · Physics 2009-09-29 Z. Sroczynski , N. Eicker , Th. Lippert , B. Orth , K. Schilling

The high-performance computing (HPC) community has recently seen a substantial diversification of hardware platforms and their associated programming models. From traditional multicore processors to highly specialized accelerators, vendors…

Plasma Physics · Physics 2024-11-11 Josef Ruzicka , Christian Asch , Esteban Meneses , Markus Rampp , Erwin Laure

Due to its flexible architecture, FPGAs support unique, deep hardware pipeline implementations for accelerating HPC applications. However, these devices are quite new in the HPC space, and thus, have been scarcely explored outside some…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-01-28 Nicolas Lee Guidotti

With FPGAs now being deployed in the cloud and at the edge, there is a need for scalable design methods which can incorporate the heterogeneity present in the hardware and software components of FPGA systems. Moreover, these FPGA systems…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-01-29 Anuj Vaishnav , Khoa Dang Pham , Joseph Powell , Dirk Koch

The idle computers on a local area, campus area, or even wide area network represent a significant computational resource---one that is, however, also unreliable, heterogeneous, and opportunistic. This type of resource has been used…

Distributed, Parallel, and Cluster Computing · Computer Science 2007-05-23 Adriana Iamnitchi , Ian Foster

Large scale parameter estimation problems are among some of the most computationally demanding problems in numerical analysis. An academic researcher's domain-specific knowledge often precludes that of software design, which results in…

Mathematical Software · Computer Science 2017-04-05 Curt Da Silva , Felix J. Herrmann

High-Performance Computing (HPC) platforms enable scientific software to achieve breakthroughs in many research fields such as physics, biology, and chemistry, by employing Research Software Engineering (RSE) techniques. These include 1)…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-10-16 Matan Rusanovsky , Re'em Harel , Lee-or Alon , Idan Mosseri , Harel Levin , Gal Oren

We describe AMUSE, the Astrophysical Multipurpose Software Environment, a programming framework designed to manage multi-scale, multi-physics simulations in a hierarchical, extensible, and internally consistent way. Constructed as a…

Instrumentation and Methods for Astrophysics · Physics 2015-03-19 Stephen McMillan , Simon Portegies Zwart , Arjen van Elteren , Alfred Whitehead

The design and optimisation of aircraft wings are critical tasks in aerospace engineering, requiring a balance between structural integrity, aerostructural performance, and manufacturability. This multifaceted challenge involves the…

Computational Engineering, Finance, and Science · Computer Science 2024-11-06 Hauke Maathuis , Saullo G. P. Castro , Roeland De Breuker

A numerical framework is developed to solve various types of PDEs on complicated domains, including steady and time-dependent, non-linear and non-local PDEs, with different boundary conditions that can also include non-linear and non-local…

Numerical Analysis · Mathematics 2022-07-13 Jonna C. Roden , Rory D. Mills-Williams , John W. Pearson , Benjamin D. Goddard

Data-driven modeling plays an increasingly important role in different areas of engineering. For most of existing methods, such as genetic programming (GP), the convergence speed might be too slow for large scale problems with a large…

Optimization and Control · Mathematics 2017-06-29 Chen Chen , Changtong Luo , Zonglin Jiang

This book focuses on the use of algorithmic high-level synthesis (HLS) to build application-specific FPGA systems. Our goal is to give the reader an appreciation of the process of creating an optimized hardware design using HLS. Although…

Hardware Architecture · Computer Science 2018-05-11 Ryan Kastner , Janarbek Matai , Stephen Neuendorffer

Variability constraints are an integral part of the requirements for a configurable system. The constraints specified in the requirements on the legal combinations of options define the space of potential valid configurations for the…

Software Engineering · Computer Science 2023-09-08 Chin Khor , Robyn Lutz

With the growing model size, deep neural networks (DNN) are increasingly trained over massive GPU accelerators, which demands a proper parallelization plan that transforms a DNN model into fine-grained tasks and then schedules them to GPUs…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-01-24 Zhiqi Lin , Youshan Miao , Guodong Liu , Xiaoxiang Shi , Quanlu Zhang , Fan Yang , Saeed Maleki , Yi Zhu , Xu Cao , Cheng Li , Mao Yang , Lintao Zhang , Lidong Zhou

The aim of the FESCA workshop is to bring together junior researchers from formal methods, software engineering, and industry interested in the development and application of formal modelling approaches as well as associated analysis and…

Software Engineering · Computer Science 2016-03-29 Jana Kofroň , Jana Tumova , Bara Buhnova