相关论文: Accelerating finite-rate chemical kinetics with co…

We present a novel convex formulation that weakly couples the Material Point Method (MPM) with rigid body dynamics through frictional contact, optimized for efficient GPU parallelization. Our approach features an asynchronous time-splitting…

Most parallel neural network training methods assume homogeneous computing resources. For example, synchronous data-parallel SGD suffers from significant synchronization overhead under heterogeneous workloads, often forcing practitioners to…

Graphics processing units have been extensively used to accelerate classical molecular dynamics simulations. However, there is much less progress on the acceleration of force evaluations for many-body potentials compared to pairwise ones.…

We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores…

Stencil computation is an extensively-utilized class of scientific-computing applications that can be efficiently accelerated by graphics processing units (GPUs). Out-of-core approaches enable a GPU to handle large stencil codes whose data…

The computational acceleration of orbital-invariant local correlation methods on graphics processing units (GPUs) has remained largely unexplored due to substantial algorithmic complexities. The runtime efficiency of GPU-implemented local…

We study parallel particle-in-cell (PIC) methods for low-temperature plasmas (LTPs), which discretize kinetic formulations that capture the time evolution of the probability density function of particles as a function of position and…

GPUs have climbed up to the top of supercomputer systems making life harder to many legacy scientific codes. Nowadays, many recipes are being used in such code's portability, without any clarity of which is the best option. We present a…

The simulation of heat flow through heterogeneous material is important for the design of structural and electronic components. Classical analytical solutions to the heat equation PDE are not known for many such domains, even those having…

A high-performance gas kinetic solver using multi-level parallelization is developed to enable pore-scale simulations of rarefied flows in porous media. The Boltzmann model equation is solved by the discrete velocity method with an…

This article presents a systematic quantitative performance analysis for large finite element computations on extreme scale computing systems. Three parallel iterative solvers for the Stokes system, discretized by low order tetrahedral…

Although state-of-the-art (SOTA) SAT solvers based on conflict-driven clause learning (CDCL) have achieved remarkable engineering success, their sequential nature limits the parallelism that may be extracted for acceleration on platforms…

Electrostatic interactions play crucial roles in biophysical processes such as protein folding and molecular recognition. Poisson-Boltzmann equation (PBE)-based models have emerged as widely used in modeling these important processes.…

Heterogeneous systems are becoming more common on High Performance Computing (HPC) systems. Even using tools like CUDA and OpenCL it is a non-trivial task to obtain optimal performance on the GPU. Approaches to simplifying this task include…

We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing hybrid functional calculations in generalized Kohn-Sham density functional theory. In particular, we develop a batch variant of the…

We compare the three main types of high-order one-step initial value solvers: extrapolation, spectral deferred correction, and embedded Runge--Kutta pairs. We consider orders four through twelve, including both serial and parallel…

In addition to hardware wall-time restrictions commonly seen in high-performance computing systems, it is likely that future systems will also be constrained by energy budgets. In the present work, finite difference algorithms of varying…

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…

Computational fluid dynamics and fluid-structure interaction simulations involving moving and deforming bodies is extremely hard. In this work, we present a graphical processing unit (GPU) optimized implementation of the sharp-interface…

The IEEE 754-2008 standard recommends the correct rounding of some elementary functions. This requires to solve the Table Maker's Dilemma which implies a huge amount of CPU computation time. We consider in this paper accelerating such…