相关论文: VASP on a GPU: application to exact-exchange calcu…

In this paper, we aim to introduce a new perspective when comparing highly parallelized algorithms on GPU: the energy consumption of the GPU. We give an analysis of the performance of linear algebra operations, including addition of…

Power dissipation and energy consumption have become one of the most important problems in the design of processors today. This is especially true in power-constrained environments, such as embedded and mobile computing. While lowering the…

Performing high accuracy hybrid functional calculations for condensed matter systems containing a large number of atoms is at present computationally very demanding - when not out of reach - if high quality basis sets are used. We present a…

The high computational cost of ab-initio methods limits their application in predicting electronic properties at the device scale. Therefore, an efficient method is needed to map the atomic structure to the electronic structure quickly.…

Graphics Processing Units (GPUs) are being used in many areas of physics, since the performance versus cost is very attractive. The GPUs can be addressed by CUDA which is a NVIDIA's parallel computing architecture. It enables dramatic…

Adaptive finite elements combined with geometric multigrid solvers are one of the most efficient numerical methods for problems such as the instationary Navier-Stokes equations. Yet despite their efficiency, computations remain expensive…

Graphics Processing Units (GPUs) are high performance co-processors originally intended to improve the use and quality of computer graphics applications. Once, researchers and practitioners noticed the potential of using GPU for general…

We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing Kohn-Sham density functional theory calculations within the local density and generalized gradient approximations. In particular, we…

For the calibration of the parameters in static and dynamic SABR stochastic volatility models, we propose the application of the GPU technology to the Simulated Annealing global optimization algorithm and to the Monte Carlo simulation. This…

This work arises on the environment of the ExaNeSt project aiming at design and development of an exascale ready supercomputer with low energy consumption profile but able to support the most demanding scientific and technical applications.…

Density-functional theory simplifies many-electron calculations by approximating the exchange and correlation interactions with a one-electron operator that is a functional of the density. Hybrid functionals incorporate some amount of exact…

A new, very fast, implementation of the exact (Fock) exchange operator for electronic structure calculations within the plane-wave pseudopotential method is described in detail for both molecular and periodic systems, and carefully…

An application based on graphical processing units (GPUs) applied to 3-D digital images is described for computing the linear anisotropic elastic properties of heterogeneous materials. The application can also retrieve the property…

Graph processing on GPUs is gaining momentum due to the high throughputs observed compared to traditional CPUs, attributed to the vast number of processing cores on GPUs that can exploit parallelism in graph analytics. This paper discusses…

Graphics Processing Units (GPUs) are now powerful and flexible systems adapted and used for other purposes than graphics calculations (General Purpose computation on GPU -- GPGPU). We present here a prototype to be integrated into…

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 present a solution of sparse alternating current optimal power flow (ACOPF) analysis on graphical processing unit (GPU). In particular, we discuss the performance bottlenecks and detail our efforts to accelerate the linear solver, a core…

Power is increasingly becoming a limiting resource in high-performance, GPU-accelerated computing systems. Understanding the range and sources of power variation is essential in setting realistic bounds on rack and system peak power, and…

Obtaining a thermodynamically accurate phase diagram through numerical calculations is a computationally expensive problem that is crucially important to understanding the complex phenomena of solid state physics, such as superconductivity.…

The latest Graphics Processing Units (GPUs) are reported to reach up to 200 billion floating point operations per second (200 Gflops) and to have price performance of 0.1 cents per M flop. These facts raise great interest in the…