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A tridiagonal matrix algorithm (TDMA), Pipelined-TDMA, is developed for multi-GPU systems to resolve the scalability bottlenecks caused by the sequential structure of conventional divide-and-conquer TDMA. The proposed method pipelines…
Problems of interest in hydrogeology and hydrocarbon resources involve complex heterogeneous geological formations. Such domains are most accurately represented in reservoir simulations by unstructured computational grids. Finite element…
Fluid simulations are often performed using the incompressible Navier-Stokes equations (INSE), leading to sparse linear systems which are difficult to solve efficiently in parallel. Recently, kinetic methods based on the…
Discrete variational methods show excellent performance in numerical simulations of different mechanical systems. In this paper, we introduce an iterative procedure for the solution of discrete variational equations for boundary value…
Modeling multimetallic systems efficiently enables faster prediction of desirable chemical properties and design of new materials. This work describes an initial implementation for performing multireference wave function method localized…
In this paper, we present an advanced high-order compact gas-kinetic scheme (CGKS) for 3D unstructured mixed-element meshes, augmented with a geometric multigrid technique to accelerate steady-state convergence. The scheme evolves…
Computational fluid dynamic simulations often produce large clusters of finite elements with non-trivial, non-convex boundaries and uneven distributions among compute nodes, posing challenges to compositing during interactive volume…
Mesoscopic simulations of hydrocarbon flow in source shales are challenging, in part due to the heterogeneous shale pores with sizes ranging from a few nanometers to a few micrometers. Additionally, the sub-continuum fluid-fluid and…
This paper presents a heuristic for finding the optimum number of CUDA streams by using tools common to the modern AI-oriented approaches and applied to the parallel partition algorithm. A time complexity model for the GPU realization of…
We introduce a particle-based simulation method for granular material in interactive frame rates. We divide the simulation into two decoupled steps. In the first step, a relatively small number of particles is accurately simulated with a…
Simulation of multiphase poromechanics involves solving a multi-physics problem in which multiphase flow and transport are tightly coupled with the porous medium deformation. To capture this dynamic interplay, fully implicit methods, also…
Future computing systems, from handhelds to supercomputers, will undoubtedly be more parallel and heterogeneous than todays systems to provide more performance and energy efficiency. Thus, GPUs are increasingly being used to accelerate…
In recent years, coupled with traditional turbulence models, the second-order gas-kinetic scheme (GKS) has been used in the turbulent flow simulations. At the same time, high-order GKS has been developed, such as the two-stage fourth-order…
The use of reduced and mixed precision computing has gained increasing attention in high-performance computing (HPC) as a means to improve computational efficiency, particularly on modern hardware architectures like GPUs. In this work, we…
We present variants of the Conjugate Gradient (CG), Conjugate Residual (CR), and Generalized Minimal Residual (GMRES) methods which are both pipelined and flexible. These allow computation of inner products and norms to be overlapped with…
The trade-off among accuracy, robustness, and computational cost remains a key challenge in simulating complex flows. Second-order schemes are computationally efficient but lack the accuracy required for resolving intricate flow structures,…
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…
We deal with accelerating the solution of a sequence of large linear systems solved by preconditioned conjugate gradient method (PCG). The sequence originates from time-stepping within a simulation of an unsteady incompressible flow. We…
The Random Phase Approximation (RPA) for correlation energy in the grid-based projector augmented wave (gpaw) code is accelerated by porting to the Graphics Processing Unit (GPU) architecture. The acceleration is achieved by grouping…
We propose a GPU-based distributed optimization algorithm, aimed at controlling optimal power flow in multi-phase and unbalanced distribution systems. Typically, conventional distributed optimization algorithms employed in such scenarios…