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We present a MATLAB-based framework for two- and three-dimensional fast Fourier transforms on multiple GPUs for large-scale numerical simulations using the pseudo-spectral Fourier method. The software implements two complementary multi-GPU…

Mathematical Software · Computer Science 2026-03-31 Maik Punke , Marco Salvalaglio

The past decade has witnessed a dramatic acceleration of lattice quantum chromodynamics calculations in nuclear and particle physics. This has been due to both significant progress in accelerating the iterative linear solvers using…

High Energy Physics - Lattice · Physics 2016-12-26 M. A. Clark , Bálint Joó , Alexei Strelchenko , Michael Cheng , Arjun Gambhir , Richard Brower

Finite-difference time-domain (FDTD) is an effective algorithm for resolving Maxwell equations directly in time domain. Although FDTD has obtained sufficient development, there still exists some improvement space for it, such as…

Computational Physics · Physics 2023-03-29 Huicheng Guo , Henglei Du , Chengpu Liu

Extensions to the C++ implementation of the QCD Data Parallel Interface are provided enabling acceleration of expression evaluation on NVIDIA GPUs. Single expressions are off-loaded to the device memory and execution domain leveraging the…

High Energy Physics - Lattice · Physics 2011-11-24 Frank Winter

In this paper, we describe the algorithms we implemented in FDPS to make efficient use of accelerator hardware such as GPGPUs. We have developed FDPS to make it possible for many researchers to develop their own high-performance parallel…

Instrumentation and Methods for Astrophysics · Physics 2020-02-12 Masaki Iwasawa , Daisuke Namekata , Keigo Nitadori , Kentaro Nomura , Long Wang , Miyuki Tsubouchi , Junichiro Makino

We describe a parallel algorithm for solving the time-independent 3d Schrodinger equation using the finite difference time domain (FDTD) method. We introduce an optimized parallelization scheme that reduces communication overhead between…

Quantum Physics · Physics 2014-11-18 Michael Strickland , David Yager-Elorriaga

Recent years have witnessed a rapid advancement in GPU technology, establishing it as a formidable high-performance parallel computing technology with superior floating-point computational capabilities compared to traditional CPUs. This…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-18 Xinyao Yi , Yuxin Qiao

We describe a simple and intuitive implementation of the method of finite difference time domain simulations for propagating electromagnetic waves using the simplest possible tools available in Microsoft Excel. The method overcomes the…

Physics Education · Physics 2007-05-23 David W. Ward , Keith A. Nelson

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

The numerical study of relativistic magnetohydrodynamics (MHD) plays a crucial role in high-energy astrophysics, but unfortunately is computationally demanding, given the complex physics involved (high Lorentz factor flows, extreme…

High Energy Astrophysical Phenomena · Physics 2024-01-09 Luca Del Zanna , Simone Landi , Lorenzo Serafini , Matteo Bugli , Emanuele Papini

This MATLAB program calculates the dynamics of the reduced density matrix of an open quantum system modeled by the Feynman-Vernon model. The user gives the program a vector describing the coordinate of an open quantum system, a hamiltonian…

Quantum Physics · Physics 2015-06-05 Nikesh S. Dattani

Dynamic Parallelism (DP) is a runtime feature of the GPU programming model that allows GPU threads to execute additional GPU kernels, recursively. Apart from making the programming of parallel hierarchical patterns easier, DP can also…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-06-07 Felipe A. Quezada , Cristóbal A. Navarro , Miguel Romero , Cristhian Aguilera

There is an explosion of data, documents, and other content, and people require tools to analyze and interpret these, tools to turn the content into information and knowledge. Topic modeling have been developed to solve these problems.…

Computation and Language · Computer Science 2015-10-23 Aaron Q Li

In this work, a recently developed fracture modeling method called localizing gradient damage method (LGDM) is implemented in MATLAB. MATLAB is well-known in the computational research community for its simple and easy-to-learn coding…

Numerical Analysis · Mathematics 2023-01-18 Subrato Sarkar

In this paper we present a methodology for data accesses when solving batches of Tridiagonal and Pentadiagonal matrices that all share the same left-hand-side (LHS) matrix. The intended application is to the numerical solution of Partial…

Computational Physics · Physics 2021-07-13 Enda Carroll , Andrew Gloster , Miguel D. Bustamante , Lennon Ó' Náraigh

Efficient hybrid DFT simulations of solid state materials would be extremely beneficial for computational chemistry and materials science, but is presently bottlenecked by difficulties in computing Hartree-Fock (HF) exchange with plane wave…

Chemical Physics · Physics 2024-10-30 Yuanheng Wang , Diptarka Hait , Pablo A. Unzueta , Juncheng Harry Zhang , Todd J. Martínez

Quality-Diversity (QD) optimization algorithms are a well-known approach to generate large collections of diverse and high-quality solutions. However, derived from evolutionary computation, QD algorithms are population-based methods which…

Neural and Evolutionary Computing · Computer Science 2022-10-11 Bryan Lim , Maxime Allard , Luca Grillotti , Antoine Cully

This paper explores practical aspects of using a high-level functional language for GPU-based arithmetic on ``midsize'' integers. By this we mean integers of up to about a quarter million bits, which is sufficient for most practical…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-24 Cosmin E. Oancea , Stephen M. Watt

A high fidelity flow simulation for complex geometries for high Reynolds number ($Re$) flow is still very challenging, which requires more powerful computational capability of HPC system. However, the development of HPC with traditional CPU…

Computational Physics · Physics 2022-03-03 Chuangchao Ye , Pengjunyi Zhang , Rui Yan , Dejun Sun , Zhenhua Wan

We present an alternative GPU acceleration for plane waves pseudopotentials electronic structure codes designed for systems that have small unit cells but require a large number of k points to sample the Brillouin zone as happens, for…

Materials Science · Physics 2025-07-31 Xuejun Gong , Andrea Dal Corso