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The "IMP Science Gateway Portal" (http://scigate.imp.kiev.ua) for complex workflow management and integration of distributed computing resources (like clusters, service grids, desktop grids, clouds) is presented. It is created on the basis…

Computational Engineering, Finance, and Science · Computer Science 2014-04-23 Yuri Gordienko , Lev Bekenov , Olexandr Gatsenko , Elena Zasimchuk , Valentin Tatarenko

We introduce a GPU-accelerated multigrid Gaussian-Plane-Wave density fitting (FFTDF) approach for efficient Fock builds and nuclear gradient evaluations within Kohn-Sham density functional theory, as implemented in the GPU4PySCF module of…

Chemical Physics · Physics 2026-03-27 Rui Li , Xing Zhang , Qiming Sun , Yuanheng Wang , Junjie Yang , Garnet Kin-Lic Chan

Parallel code design is a challenging task especially when addressing petascale systems for massive parallel processing (MPP), i.e. parallel computations on several hundreds of thousands of cores. An in-house computational fluid dynamics…

Performance · Computer Science 2018-07-03 Jérôme Frisch , Ralf-Peter Mundani

This paper discusses some generic approach for developing grid-based framework for enabling establishment of workflows comprising existing software in computational sciences areas. We highlight the main requirements addressed the developing…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-06-21 Vladimir Berezovsky , Alexander Popov

The growth of computational resources in the past decades has expanded the application of Computational Fluid Dynamics (CFD) from the traditional fields of aerodynamics and hydrodynamics to a number of new areas. Examples range from the…

Computational Physics · Physics 2017-01-25 Jian-Xun Wang , Heng Xiao

Histograms are widely used in medical imaging, network intrusion detection, packet analysis and other stream-based high throughput applications. However, while porting such software stacks to the GPU, the computation of the histogram is a…

Distributed, Parallel, and Cluster Computing · Computer Science 2010-11-02 Sisir Koppaka , Dheevatsa Mudigere , Srihari Narasimhan , Babu Narayanan

Coded distributed computing (CDC) introduced by Li et al. in 2015 offers an efficient approach to trade computing power to reduce the communication load in general distributed computing frameworks such as MapReduce. For the more general…

Information Theory · Computer Science 2019-01-24 Nicholas Woolsey , Rong-Rong Chen , Mingyue Ji

Approximating wind flows using computational fluid dynamics (CFD) methods can be time-consuming. Creating a tool for interactively designing prototypes while observing the wind flow change requires simpler models to simulate faster. Instead…

Computer Vision and Pattern Recognition · Computer Science 2022-01-05 Henrik Hoeiness , Kristoffer Gjerde , Luca Oggiano , Knut Erik Teigen Giljarhus , Massimiliano Ruocco

In the paper we discuss the main features of the software package for numerical simulations of the surface water dynamics. We consider an approximation of the shallow water equations together with the parallel technologies for NVIDIA CUDA…

Computational Engineering, Finance, and Science · Computer Science 2017-05-03 Tatyana Dyakonova , Alexander Khoperskov , Sergey Khrapov

We propose a new general Graph Adversarial Domain Adaptation (GADA) based on semantic knowledge reasoning of class structure for solving the problem of unsupervised domain adaptation (UDA) from the big data with non-shared and imbalanced…

Computer Vision and Pattern Recognition · Computer Science 2021-08-13 Guangyi Xiao , Weiwei Xiang , Huan Liu , Hao Chen , Shun Peng , Jingzhi Guo , Zhiguo Gong

With the emergence of new high-performance computing (HPC) accelerators, such as Nvidia and AMD GPUs, efficiently targeting diverse hardware architectures has become a major challenge for HPC application developers. The increasing hardware…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-27 Måns I. Andersson , Martin Karp , Niclas Jansson , Stefano Markidis

'How can GPU acceleration be obtained as a service in a cluster?' This question has become increasingly significant due to the inefficiency of installing GPUs on all nodes of a cluster. The research reported in this paper is motivated to…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-08-12 Blesson Varghese , Javier Prades , Carlos Reano , Federico Silla

This paper presents a Computational Fluid Dynamics (CFD) analysis of a wave energy device called the Hull Reservoir Wave Energy Converter (HRWEC). The device consists of a floating hull and a flap connected to the shaft of power take-off…

Fluid Dynamics · Physics 2022-06-06 V A U De Alwis , A P K De Silva , S D G S P Gunawardane , Young-Ho Lee

The share of the top 500 supercomputers with NVIDIA GPUs is now over 25% and continues to grow. While fault tolerance is a critical issue for supercomputing, there does not currently exist an efficient, scalable solution for CUDA…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-08-25 Twinkle Jain , Gene Cooperman

We describe MGARD, a software providing MultiGrid Adaptive Reduction for floating-point scientific data on structured and unstructured grids. With exceptional data compression capability and precise error control, MGARD addresses a wide…

Computational Fluid Dynamics (CFD) simulations are often constrained by the memory-bound nature of sparse matrix-vector operations, which eventually limits performance on modern high-performance computing (HPC) systems. This work introduces…

The information diffusion performance of GCN and its variant models is limited by the adjacency matrix, which can lower their performance. Therefore, we introduce a new framework for graph convolutional networks called Hybrid…

Machine Learning · Computer Science 2023-04-03 Zhi Yang , Kang Li , Haitao Gan , Zhongwei Huang , Ming Shi

Hydrodynamics And Radiation Diffusion} (HARD) is an open-source application for high-performance simulations of compressible hydrodynamics with radiation-diffusion coupling. Built on the FleCSI (Flexible Computational Science…

Scientific computing is at the core of many High-Performance Computing applications, including computational flow dynamics. Because of the uttermost importance to simulate increasingly larger computational models, hardware acceleration is…

Hardware Architecture · Computer Science 2022-01-13 Tom Hogervorst , Tong Dong Qiu , Giacomo Marchiori , Alf Birger , Markus Blatt , Razvan Nane

Besides their huge technological importance, fluidized beds have attracted a large amount of research because they are perfect playgrounds to investigate highly dynamic particulate flows. Their over-all behavior is determined by…

Soft Condensed Matter · Physics 2017-06-20 T. Lichtenegger , S. Pirker
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