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This Article presents two optimized multi-GPU algorithms for Fock matrix construction, building on the work of Ufimtsev et al. and Barca et al. The novel algorithms, opt-UM and opt-Brc, introduce significant enhancements, including improved…

Computational Physics · Physics 2024-08-01 Elise Palethorpe , Ryan Stocks , Giuseppe M. J. Barca

This paper consists of three parts. The first part provides a unified programming model for heterogeneous computing with CPU and accelerator (like GPU, FPGA, Google TPU, Atos QPU, and more) technologies. To some extent, this new programming…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-31 Yuqing Xiong

We present a scheme for the parallelization of quantum Monte Carlo on graphical processing units, focusing on bosonic systems and variational Monte Carlo. We use asynchronous execution schemes with shared memory persistence, and obtain an…

Computational Physics · Physics 2014-12-10 Y. Lutsyshyn

With the use of belief propagation (BP) decoding algorithm, low-density parity-check (LDPC) codes can achieve near-Shannon limit performance. In order to evaluate the error performance of LDPC codes, simulators running on CPUs are commonly…

Information Theory · Computer Science 2012-07-30 Yue Zhao , Francis C. M. Lau

Convolutional gridding is a processor-intensive step in interferometric imaging. While it is possible to use graphics processing units (GPUs) to accelerate this operation, existing methods use only a fraction of the available flops. We…

Instrumentation and Methods for Astrophysics · Physics 2016-06-29 Bruce Merry

Modeling multimetallic systems efficiently enables faster prediction of desirable chemical properties and design of new materials. This work describes an initial implementation for performing multireference wave function method localized…

Computational Physics · Physics 2025-05-08 Valay Agarawal , Rishu Khurana , Cong Liu , Matthew R. Hermes , Christopher Knight , Laura Gagliardi

Large scale-free graphs are famously difficult to process efficiently: the skewed vertex degree distribution makes it difficult to obtain balanced partitioning. Our research instead aims to turn this into an advantage by partitioning the…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-10-05 Scott Sallinen , Abdullah Gharaibeh , Matei Ripeanu

This paper introduces a fast Central Processing Unit (CPU) implementation of geodesic morphological operations using stream processing. In contrast to the current state-of-the-art, that focuses on achieving insensitivity to the filter sizes…

Performance · Computer Science 2019-12-02 Danijel Žlaus , Domen Mongus

Solving inverse problems and achieving statistical rigour in landscape evolution models requires running many model realizations. Parallel computation is necessary to achieve this in a reasonable time. However, no previous algorithm is…

Computational Engineering, Finance, and Science · Computer Science 2019-01-23 Richard Barnes

A previous study of MD algorithms designed for GPU use is extended to cover more recent developments in GPU architecture. Algorithm modifications are described, together with extensions to more complex systems. New measurements include the…

Computational Physics · Physics 2022-04-13 D C Rapaport

Realistic reservoir simulation is known to be prohibitively expensive in terms of computation time when increasing the accuracy of the simulation or by enlarging the model grid size. One method to address this issue is to parallelize the…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-14 Tong Dong Qiu , Andreas Thune , Vinicius Oliveira Martins , Markus Blatt , Alf Birger Rustad , Razvan Nane

General Matrix Multiplication (GEMM) is a crucial algorithm for various applications such as machine learning and scientific computing, and an efficient GEMM implementation is essential for the performance of these systems. While…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-03 Shixun Wu , Yujia Zhai , Jinyang Liu , Jiajun Huang , Zizhe Jian , Bryan M. Wong , Zizhong Chen

It is now common to process volumetric biomedical images using 3D Convolutional Networks (ConvNets). This can be challenging for the teravoxel and even petavoxel images that are being acquired today by light or electron microscopy. Here we…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-05-03 Jingpeng Wu , William M. Silversmith , Kisuk Lee , H. Sebastian Seung

The Single Instruction, Multiple Thread (SIMT) paradigm of GPU programming does not support the branching nature of a parton shower algorithm by definition. However, modern GPUs are designed to schedule threads with diverging processes…

High Energy Physics - Phenomenology · Physics 2024-09-11 Michael H. Seymour , Siddharth Sule

For large-scale graph analytics on the GPU, the irregularity of data access and control flow, and the complexity of programming GPUs, have presented two significant challenges to developing a programmable high-performance graph library.…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-01-06 Yangzihao Wang , Yuechao Pan , Andrew Davidson , Yuduo Wu , Carl Yang , Leyuan Wang , Muhammad Osama , Chenshan Yuan , Weitang Liu , Andy T. Riffel , John D. Owens

The High-Luminosity upgrade of the LHC will see the accelerator reach an instantaneous luminosity of $7\times 10^{34} cm^{-2}s^{-1}$ with an average pileup of $200$ proton-proton collisions. These conditions will pose an unprecedented…

Instrumentation and Detectors · Physics 2020-09-01 Andrea Bocci , Matti Kortelainen , Vincenzo Innocente , Felice Pantaleo , Marco Rovere

Using FPGAs to accelerate ConvNets has attracted significant attention in recent years. However, FPGA accelerator design has not leveraged the latest progress of ConvNets. As a result, the key application characteristics such as…

Computer Vision and Pattern Recognition · Computer Science 2020-05-12 Yifan Yang , Qijing Huang , Bichen Wu , Tianjun Zhang , Liang Ma , Giulio Gambardella , Michaela Blott , Luciano Lavagno , Kees Vissers , John Wawrzynek , Kurt Keutzer

We present efficient parallel algorithms for computing maximal matchings in hypergraphs. Our algorithm finds locally maximal edges in the hypergraph and adds them in parallel to the matching. In the CRCW PRAM models our algorithms achieve…

Data Structures and Algorithms · Computer Science 2026-03-13 Henrik Reinstädtler , Christian Schulz , Nodari Sitchinava , Fabian Walliser

As in various fields like scientific research and industrial application, the computation time optimization is becoming a task that is of increasing importance because of its highly parallel architecture. The graphics processing unit is…

Performance · Computer Science 2017-10-18 Huichao Hong , Lixin Zheng , Shuwan Pan

We scrutinize how to accelerate the bottleneck operations of Pythonic coupled cluster implementations performed on a \texttt{NVIDIA} Tesla V100S PCIe 32GB (rev 1a) Graphics Processing Unit (GPU). The \texttt{NVIDIA} Compute Unified Device…

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