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SSE (streaming SIMD extensions) and AVX (advanced vector extensions) are SIMD (single instruction multiple data streams) instruction sets supported by recent CPUs manufactured in Intel and AMD. This SIMD programming allows parallel…
In this paper, we present an efficient adaptive multigrid strategy for the geometry optimization of large-scale three dimensional molecular mechanics. The resulting method can achieve significantly reduced complexity by exploiting the…
Quantum approximate optimization is one of the promising candidates for useful quantum computation, particularly in the context of finding approximate solutions to Quadratic Unconstrained Binary Optimization (QUBO) problems. However, the…
The Graphic Processing Unit (GPU) has evolved into a powerful and flexible processor. The latest graphic processors provide fully programmable vertex and pixel processing units that support vector operations up to single floating-point…
We present a strategy to speed up Runge-Kutta-based ODE simulations of large systems with nearest-neighbor coupling. We identify the cache/memory bandwidth as the crucial performance bottleneck. To reduce the required bandwidth, we…
We present a fully parallel digital memcomputing solver implemented on a field-programmable gate array (FPGA) board. For this purpose, we have designed an FPGA code that solves the ordinary differential equations associated with digital…
We consider fast deterministic algorithms to identify the "best" linearly independent terms in multivariate mixtures and use them to compute, up to a user-selected accuracy, an equivalent representation with fewer terms. One algorithm…
This paper presents some of our findings on the scalability of parallel 3D mesh generation on distributed memory machines. The primary objective of this study was to evaluate a distributed memory approach for implementing a 3D parallel…
We present our recent effort to develop a GPGPU program to calculate 52 channels of the Nambu-Bethe-Salpeter (NBS) wave functions in order to study the baryon interactions, from nucleon-nucleon to $\Xi-\Xi$, from lattice QCD. We adopt CUDA…
Object-oriented programming has long been regarded as too inefficient for SIMD high-performance computing, despite the fact that many important HPC applications have an inherent object structure. On SIMD accelerators, including GPUs, this…
Despite decades of research, creating accurate, robust, and efficient lattice Boltzmann methods (LBM) on non-uniform grids with seamless GPU acceleration remains challenging. This work introduces a novel strategy to address this challenge…
Monte Carlo simulations of the Ising model play an important role in the field of computational statistical physics, and they have revealed many properties of the model over the past few decades. However, the effect of frustration due to…
This paper presents a Graphics Processing Units (GPUs) acceleration method of an iterative scheme for gas-kinetic model equations. Unlike the previous GPU parallelization of explicit kinetic schemes, this work features a fast converging…
It is a challenging task to deploy computationally and memory intensive State-of-the-art deep neural networks (DNNs) on embedded systems with limited hardware resources and power budgets. Recently developed techniques like Deep Compression…
Douglas-Rachford splitting and its equivalent dual formulation ADMM are widely used iterative methods in composite optimization problems arising in control and machine learning applications. The performance of these algorithms depends on…
(Abridged) We have developed a numerical software library for collisionless N-body simulations named "Phantom-GRAPE" which highly accelerates force calculations among particles by use of a new SIMD instruction set extension to the x86…
We discuss an implementation of molecular dynamics (MD) simulations on a graphic processing unit (GPU) in the NVIDIA CUDA language. We tested our code on a modern GPU, the NVIDIA GeForce 8800 GTX. Results for two MD algorithms suitable for…
Starting from the single graphics processing unit (GPU) version of the Smoothed Particle Hydrodynamics (SPH) code DualSPHysics, a multi-GPU SPH program is developed for free-surface flows. The approach is based on a spatial decomposition…
Memory-efficient optimization methods have recently gained increasing attention for scaling full-parameter training of large language models under the GPU-memory bottleneck. Existing approaches either lack clear convergence guarantees, or…
Specialized computational units that perform small matrix multiplications as primitive operations are typically present in modern AI accelerators. However, these Matrix Multiplication Units (MMUs) are often underutilized for many…