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Comprehending the performance bottlenecks at the core of the intricate hardware-software interactions exhibited by highly parallel programs on HPC clusters is crucial. This paper sheds light on the issue of automatically asynchronous MPI…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-09-06 Ayesha Afzal , Georg Hager , Stefano Markidis , Gerhard Wellein

This paper aims to understand the relationships among recently developed GPU-accelerated first-order methods (FOMs) for linear programming (LP), with particular emphasis on HPR-LP -- a Halpern Peaceman--Rachford (HPR) method for LP. Our…

Optimization and Control · Mathematics 2025-10-02 Kaihuang Chen , Defeng Sun , Yancheng Yuan , Guojun Zhang , Xinyuan Zhao

Point-based 3D point cloud models employ computation and memory intensive mapping functions alongside NN layers for classification/segmentation, and are executed on server-grade GPUs. The sparse, and unstructured nature of 3D point cloud…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-30 Amur Saqib Pal , Muhammad Mohsin Ghaffar , Faisal Shafait , Christian Weis , Norbert Wehn

Solving discretized versions of the Dirac equation represents a large share of execution time in lattice Quantum Chromodynamics (QCD) simulations. Many high-performance computing (HPC) clusters use graphics processing units (GPUs) to offer…

High Energy Physics - Lattice · Physics 2024-07-02 Tilmann Matthaei

The phase-field method has become a useful tool for the simulation of classical metallurgical phase transformations as well as other phenomena related to materials science. The thermodynamic consistency that forms the basis of these…

This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly…

Computational Physics · Physics 2013-11-20 R. Meyer

Current trends in the computer graphics community propose leveraging the massive parallel computational power of GPUs to accelerate physically based simulations. Collision detection and solving is a fundamental part of this process. It is…

Graphics · Computer Science 2021-10-06 Hugo Bertiche , Meysam Madadi , Sergio Escalera

The latest generation of Timepix series hybrid pixel detectors enhance particle tracking with high spatial and temporal resolution. However, their high hit-rate capability poses challenges for data processing, particularly in multidetector…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-12-17 Tomáš Čelko , František Mráz , Benedikt Bergmann , Petr Mánek

Our fully kinetic, implicit Particle-in-Cell (PIC) simulations of global magnetospheres on up to 32,768 of El Capitan's AMD Instinct MI300A Accelerated Processing Units (APUs) represent an unprecedented computational capability that…

Computational Engineering, Finance, and Science · Computer Science 2025-07-29 Stefano Markidis , Andong Hu , Ivy Peng , Luca Pennati , Ian Lumsden , Dewi Yokelson , Stephanie Brink , Olga Pearce , Thomas R. W. Scogland , Bronis R. de Supinski , Gian Luca Delzanno , Michela Taufer

Modeling plasma accelerators is a computationally challenging task and the quasi-static particle-in-cell algorithm is a method of choice in a wide range of situations. In this work, we present the first performance-portable, quasi-static,…

We develop a GPU-accelerated dynamic programming (DP) method for valuing, operating, and bidding energy storage under multistage stochastic electricity prices. Motivated by computational limitations in existing models, we formulate DP…

Optimization and Control · Mathematics 2025-11-20 Thomas Lee , Andy Sun

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…

We present implementations of a fourth-order symplectic integrator on graphic processing units for three $N$-body models with long-range interactions of general interest: the Hamiltonian Mean Field, Ring and two-dimensional self-gravitating…

Computational Physics · Physics 2012-12-04 Tarcísio M. Rocha Filho

Mesoscopic numerical simulations provide a unique approach for the quantification of the chemical influences on red blood cell functionalities. The transport Dissipative Particles Dynamics (tDPD) method can lead to such effective multiscale…

Computational Physics · Physics 2017-06-07 Ansel L. Blumers , Yu-Hang Tang , Zhen Li , Xuejin Li , George E. Karniadakis

The 3D quasi-static particle-in-cell (PIC) algorithm is a very efficient method for modeling short-pulse laser or relativistic charged particle beam-plasma interactions. In this algorithm, the plasma response to a non-evolving laser or…

Computational Physics · Physics 2021-02-03 Fei Li , Weiming An , Viktor K. Decyk , Xinlu Xu , Mark J. Hogan , Warren B. Mori

The Graphics Processing Unit (GPU) is a powerful tool for parallel computing. In the past years the performance and capabilities of GPUs have increased, and the Compute Unified Device Architecture (CUDA) - a parallel computing architecture…

Computational Physics · Physics 2009-12-17 Ferenc Molnar , Tamas Szakaly , Robert Meszaros , Istvan Lagzi

We present the extension of the Tinker-HP package (Lagard\`ere et al., Chem. Sci., 2018,9, 956-972) to the use of Graphics Processing Unit (GPU) cards to accelerate molecular dynamics simulations using polarizable many-body force fields.…

Simulating fluid-granular flows is crucial for understanding natural disasters, industrial processes, and visually realistic phenomena in computer graphics. These systems are challenging to simulate because of the strong nonlinear coupling…

Graphics · Computer Science 2026-03-17 Xingqiao Li , Kui Wu , Haozhe Su , Tianhong Gao , Mengyu Chu , Chenfanfu Jiang , Wei Li , Baoquan Chen

This paper proposes a GPU-accelerated optimization framework for collision avoidance problems where the controlled objects and the obstacles can be modeled as the finite union of convex polyhedra. A novel collision avoidance constraint is…

Robotics · Computer Science 2024-06-12 Zeming Wu , Zhuping Wang , Hao Zhang

The Boltzmann transport equation (BTE) with electron-phonon (e-ph) interactions computed from first principles is widely used to study electronic transport and nonequilibrium dynamics in materials. Calculating the e-ph collision integral is…

Materials Science · Physics 2025-11-06 Shiyu Peng , Donnie Pinkston , Jia Yao , Sergei Kliavinek , Ivan Maliyov , Marco Bernardi