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Graphics processing units (GPUs) are recently being used to an increasing degree for general computational purposes. This development is motivated by their theoretical peak performance, which significantly exceeds that of broadly available…

Computational Physics · Physics 2015-03-17 Martin Weigel

The simulation of the two-dimensional Ising model is used as a benchmark to show the computational capabilities of Graphic Processing Units (GPUs). The rich programming environment now available on GPUs and flexible hardware capabilities…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-08-26 Joshua Romero , Mauro Bisson , Massimiliano Fatica , Massimo Bernaschi

The rapidly growing popularity and scale of data-parallel workloads demand a corresponding increase in raw computational power of GPUs (Graphics Processing Units). As single-GPU systems struggle to satisfy the performance demands, multi-GPU…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-11-15 Yifan Sun , Trinayan Baruah , Saiful A. Mojumder , Shi Dong , Rafael Ubal , Xiang Gong , Shane Treadway , Yuhui Bao , Vincent Zhao , José L. Abellán , John Kim , Ajay Joshi , David Kaeli

Multi-GPU nodes are increasingly common in the rapidly evolving landscape of exascale supercomputers. On these systems, GPUs on the same node are connected through dedicated networks, with bandwidths up to a few terabits per second.…

In this extended abstract, we have introduced a highly memory-efficient state vector simulation of quantum circuits premised on data compression, harnessing the capabilities of both CPUs and GPUs. We have elucidated the inherent challenges…

Quantum Physics · Physics 2023-10-02 Boyuan Zhang , Bo Fang , Qiang Guan , Ang Li , Dingwen Tao

Growing deployment of power and energy efficient throughput accelerators (GPU) in data centers demands enhancement of power-performance co-optimization capabilities of GPUs. Realization of exascale computing using accelerators requires…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-11-06 Nilanjan Goswami , Amer Qouneh , Chao Li , Tao Li

Deploying deep neural networks on mobile devices is increasingly important but remains challenging due to limited computing resources. On the other hand, their unified memory architecture and narrower gap between CPU and GPU performance…

Machine Learning · Computer Science 2026-02-20 Zhuojin Li , Marco Paolieri , Leana Golubchik

This work studies the porting and optimization of the tensor network simulator QTensor on GPUs, with the ultimate goal of simulating quantum circuits efficiently at scale on large GPU supercomputers. We implement NumPy, PyTorch, and CuPy…

Quantum Physics · Physics 2022-04-14 Danylo Lykov , Angela Chen , Huaxuan Chen , Kristopher Keipert , Zheng Zhang , Tom Gibbs , Yuri Alexeev

Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…

Computational Physics · Physics 2021-02-02 Iuliana Marin , Nicolae Goga , Maria Goga

We define some of the programming and system-level challenges facing the application of quantum processing to high-performance computing. Alongside barriers to physical integration, prominent differences in the execution of quantum and…

Quantum Physics · Physics 2017-12-06 Keith A. Britt , Fahd A. Mohiyaddin , Travis S. Humble

Compute nodes on modern heterogeneous supercomputing systems comprise CPUs, GPUs, and high-speed network interconnects (NICs). Parallelization is identified as a technique for effectively utilizing these systems to execute scalable…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-01 Naveen Namashivayam

Classical multivariate statistical methods such as covariance estimation and principal component analysis are well understood mathematically, yet their application at extreme data scales remains challenging. When the number of observations…

Computation · Statistics 2026-05-20 Mike Crowhurst

Rapid advances in quantum computing technology lead to an increasing need for software simulators that enable both algorithm design and the validation of results obtained from quantum hardware. This includes calculations that aim at probing…

Quantum Physics · Physics 2025-01-09 Amit Jamadagni , Andreas M. Läuchli , Cornelius Hempel

We present a framework for effectively simulating the execution of quantum circuits originally designed to demonstrate quantum supremacy using accessible high-performance computing (HPC) infrastructure. Building on prior CPU-only…

Quantum Physics · Physics 2025-12-09 Bob Wold , Venkateswaran Kasirajan

The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…

Computational Physics · Physics 2011-05-30 Shixun Zhang , Shinichi Yamagiwa , Masahiko Okumura , Seiji Yunoki

GPU architectures have become popular for executing general-purpose programs. Their many-core architecture supports a large number of threads that run concurrently to hide the latency among dependent instructions. In modern GPU…

Hardware Architecture · Computer Science 2024-01-19 Rodrigo Huerta , Mojtaba Abaie Shoushtary , Antonio González

We accelerated an ab-initio molecular QMC calculation by using GPGPU. Only the bottle-neck part of the calculation is replaced by CUDA subroutine and performed on GPU. The performance on a (single core CPU + GPU) is compared with that on a…

Computational Physics · Physics 2012-04-06 Yutaka Uejima , Tomoharu Terashima , Ryo Maezono

Graphics Processing Units (GPUs) are having a transformational effect on numerical lattice quantum chromodynamics (LQCD) calculations of importance in nuclear and particle physics. The QUDA library provides a package of mixed precision…

High Energy Physics - Lattice · Physics 2010-12-06 Ronald Babich , Michael A. Clark , Bálint Joó

Quantum computing (QC) is anticipated to provide a speedup over classical HPC approaches for specific problems in optimization, simulation, and machine learning. With the advances in quantum computing toward practical applications, the need…

Quantum Physics · Physics 2022-10-26 Jernej Rudi Finžgar , Philipp Ross , Leonhard Hölscher , Johannes Klepsch , Andre Luckow

This paper presents a comprehensive comparison of three dominant parallel programming models in High Performance Computing (HPC): Message Passing Interface (MPI), Open Multi-Processing (OpenMP), and Compute Unified Device Architecture…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-19 Nizar ALHafez , Ahmad Kurdi