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We discuss the application of graphical processing units (GPUs) to accelerate real-space density functional theory (DFT) calculations. To make our implementation efficient, we have developed a scheme to expose the data parallelism available…
We present a multi-GPU extension of the 3D Gaussian Splatting (3D-GS) pipeline for scientific visualization. Building on previous work that demonstrated high-fidelity isosurface reconstruction using Gaussian primitives, we incorporate a…
We develop a novel parallel resampling algorithm for fully parallelized particle filters, which is designed with GPUs (graphics processing units) or similar parallel computing devices in mind. With our new algorithm, a full cycle of…
This paper proposes a versatile high-performance execution model, inspired by systolic arrays, for memory-bound regular kernels running on CUDA-enabled GPUs. We formulate a systolic model that shifts partial sums by CUDA warp primitives for…
The implementation of a full electronic structure calculation code on a hybrid parallel architecture with Graphic Processing Units (GPU) is presented. The code which is on the basis of our implementation is a GNU-GPL code based on…
Matrix Factorization (MF) on large scale data takes substantial time on a Central Processing Unit (CPU). While Graphical Processing Unit (GPU)s could expedite the computation of MF, the available memory on a GPU is finite. Leveraging GPUs…
Accurate simulation to dynamics of axial piston pump (APP) is essential for its design, manufacture and maintenance. However, limited by computation capacity of CPU device and traditional solvers, conventional iteration methods are…
We present a novel parallelization strategy for evaluating Finite Element Method (FEM) variational forms on GPUs, focusing on those that are expressible through the Unified Form Language (UFL) on simplex meshes. We base our approach on code…
The never-ending computational demand from simulations of turbulence makes computational fluid dynamics (CFD) a prime application use case for current and future exascale systems. High-order finite element methods, such as the spectral…
We present teraflop-scale calculations of biomolecular electrostatics enabled by the combination of algorithmic and hardware acceleration. The algorithmic acceleration is achieved with the fast multipole method (FMM) in conjunction with a…
The goal of this work is to parallelize the multistep scheme for the numerical approximation of the backward stochastic differential equations (BSDEs) in order to achieve both, a high accuracy and a reduction of the computation time as…
Improving the computational efficiency of quantum many-body calculations from a hardware perspective remains a critical challenge. Although field-programmable gate arrays (FPGAs) have recently been exploited to improve the computational…
Hydrodynamics calculations have been successfully used in studies of the bulk properties of the Quark-Gluon Plasma, particularly of elliptic flow and shear viscosity. However, there are areas (for instance event-by-event simulations for…
The matrix-free gather-batched-GEMM-scatter pattern eliminates global stiffness assembly for three-dimensional SIMP topology optimization, but the conventional three-stage implementation forces avoidable DRAM traffic between stages. We…
In this paper, we propose a GPU-efficient subgraph isomorphism algorithm using the Gunrock graph analytic framework, GSM (Gunrock Subgraph Matching), to compute graph matching on GPUs. In contrast to previous approaches on the CPU which are…
In this paper, we describe the architecture and performance of the GraCCA system, a Graphic-Card Cluster for Astrophysics simulations. It consists of 16 nodes, with each node equipped with 2 modern graphic cards, the NVIDIA GeForce 8800…
We present a quadrotor dynamics Gaussian Process (GP) with gradient information that achieves real-time inference via state-space partitioning and approximation, and that includes aerodynamic effects using data from mid-fidelity potential…
We present two new classes of algorithms for efficient field integration on graphs encoding point clouds. The first class, SeparatorFactorization(SF), leverages the bounded genus of point cloud mesh graphs, while the second class,…
Graph analytics are vital in fields such as social networks, biomedical research, and graph neural networks (GNNs). However, traditional CPUs and GPUs struggle with the memory bottlenecks caused by large graph datasets and their…
Numerical integration of stochastic differential equations is commonly used in many branches of science. In this paper we present how to accelerate this kind of numerical calculations with popular NVIDIA Graphics Processing Units using the…