We use the graphics processing unit (GPU) for fast calculations of helicity amplitudes of physics processes. As our first attempt, we compute $u\bar{u}\to nγ$ ($n=2$ to 8) processes in $pp$ collisions at $\sqrt{s} = 14$TeV by transferring the MadGraph generated HELAS amplitudes (FORTRAN) into newly developed HEGET ({\bf H}ELAS {\bf E}valuation with {\bf G}PU {\bf E}nhanced {\bf T}echnology) codes written in CUDA, a C-platform developed by NVIDIA for general purpose computing on the GPU. Compared with the usual CPU programs, we obtain 40-150 times better performance on the GPU.
We present GPUQT, a quantum transport code fully implemented on graphics processing units. Using this code, one can obtain intrinsic electronic transport properties of large systems described by a real-space tight-binding Hamiltonian together with one or more types of disorder. The DC Kubo conductivity is represented as a time integral of the velocity auto-correlation or a time derivative of the mean square displacement. Linear scaling (with respect to the total number of orbitals in the system) computation time and memory usage are achieved by using various numerical techniques, including spa…
A micromagnetic simulator running on graphics processing unit (GPU) is presented. It achieves significant performance boost as compared to previous central processing unit (CPU) simulators, up to two orders of magnitude for large input problems. Different from GPU implementations of other research groups, this simulator is developed with C++ Accelerated Massive Parallelism (C++ AMP) and is hardware platform compatible. It runs on GPU from venders include NVidia, AMD and Intel, which paved the way for fast micromagnetic simulation on both high-end workstations with dedicated graphics cards and …
This paper introduces the Sheffield Magnetohydrodynamics Algorithm Using GPUs (SMAUG+), an advanced numerical code for solving magnetohydrodynamic (MHD) problems, using multi-GPU systems. Multi-GPU systems facilitate the development of accelerated codes and enable us to investigate larger model sizes and/or more detailed computational domain resolutions. This is a significant advancement over the parent single-GPU MHD code, SMAUG (Griffiths, M., Fedun, V., and Erdélyi, R. (2015). A fast MHD code for gravitationally stratified media using graphical processing units: SMAUG. Journal of Astrophysi…
Solving the shallow water equations efficiently is critical to the study of natural hazards induced by tsunami and storm surge, since it provides more response time in an early warning system and allows more runs to be done for probabilistic assessment where thousands of runs may be required. Using Adaptive Mesh Refinement (AMR) speeds up the process by greatly reducing computational demands, while accelerating the code using the Graphics Processing Unit (GPU) does so through using faster hardware. Combining both, we present an efficient CUDA implementation of GeoClaw, an open source Godunov-t…
Polymer Field-Theory Simulations on Graphics Processing Units
我们报告的第一个CUDA图形处理单元（GPU）实施的聚合物场理论的模拟框架，以确定充分波动的期望值的平衡性能的周期性和选择非周期性聚合物系统。我们的实现是适合于自洽的场论（平均场）的场方程的解决方案，并充分波动模拟使用复杂的朗之万方法。在NVIDIA Tesla T20系列GPU上运行时，我们发现与最新参考CPU上的单核串行计算相比，双精度加速高达30倍，而单精度计算的速度比单核CPU快60倍。由于密集的通信开销，在64个CPU内核上运行的MPI实现仍然比单个GPU慢两倍。
We present a novel implementation of the modal discontinuous Galerkin (DG) method for hyperbolic conservation laws in two dimensions on graphics processing units (GPUs) using NVIDIA's Compute Unified Device Architecture (CUDA). Both flexible and highly accurate, DG methods accommodate parallel architectures well as their discontinuous nature produces element-local approximations. High performance scientific computing suits GPUs well, as these powerful, massively parallel, cost-effective devices have recently included support for double-precision floating point numbers. Computed examples for Eu…
In this paper, the OpenACC heterogeneous parallel programming model is successfully applied to modification and acceleration of the three-dimensional Tokamak magnetohydrodynamical code (CLTx). Through combination of OpenACC and MPI technologies, CLTx is further parallelized by using multiple-GPUs. Significant speedup ratios are achieved on NVIDIA TITAN Xp and TITAN V GPUs, respectively, with very few modifications of CLTx. Furthermore, the validity of the double precision calculations on the above-mentioned two graphics cards has also been strictly verified with m/n=2/1 resistive tearing mode …
Networks of interconnected resistors, springs and beams, or pores are standard models of studying scalar and vector transport processes in heterogeneous materials and media, such as fluid flow in porous media, and conduction, deformations, and electric and dielectric breakdown in heterogeneous solids. The computation time and required memory are two limiting factors that hinder the scalability of the computations to very large sizes. We present a dual approach, based on the use of a combination of the central processing units (CPUs) and graphics processing units (GPUs), to simulation of flow, …
In recent years graphical processing units (GPUs) have become a powerful tool in scientific computing. Their potential to speed up highly parallel applications brings the power of high performance computing to a wider range of users. However, programming these devices and integrating their use in existing applications is still a challenging task. In this paper we examined the potential of GPUs for two different applications. The first application, created at Paul Scherrer Institut (PSI), is used for parameter fitting during data analysis of muSR (muon spin rotation, relaxation and resonance) e…
We present an algorithm for neighbor search in molecular simulations on graphics processing units (GPUs) based on bounding volume hierarchies (BVHs). The BVH is compressed into a low-precision, quantized representation to increase the BVH traversal speed compared to a previous implementation. We find that neighbor search using the quantized BVH is roughly two to four times faster than current state-of-the-art methods using uniform grids (cell lists) for a suite of benchmarks for common molecular simulation models. Based on the benchmark results, we recommend using the BVH instead of a single c…
Relativistic fluid dynamics is a major component in dynamical simulations of the quark-gluon plasma created in relativistic heavy-ion collisions. Simulations of the full three-dimensional dissipative dynamics of the quark-gluon plasma with fluctuating initial conditions are computationally expensive and typically require some degree of parallelization. In this paper, we present a GPU implementation of the Kurganov-Tadmor algorithm which solves the 3+1d relativistic viscous hydrodynamics equations including the effects of both bulk and shear viscosities. We demonstrate that the resulting CUDA-b…
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. Though great efforts have been put into developing efficient PBE numerical models, challenges still remain due to the high dimensionality of typical biomolecular systems. In this study, we implemented and analyzed commonly used linear PBE solvers for the ever-improving graphics processing units (GPU) for biomolecular simulations, including both standard and preco…
Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core systems are used as solutions to overcome this impediment. The current paper describes a comparison done between these two kinds of systems. The first system used implies the graphics processing unit, respectively CUDA with the OpenMM molecular dynamics package and OpenCL that allows the kernels to run on the GPU. This simulation is done on a new thermostat …
This paper presents the implementation of a HLLC finite volume solver using GPU technology for the solution of shallow water problems in two dimensions. It compares both CPU and GPU approaches for implementing all the solver's steps. The technology of graphics and central processors is highlighted with a particular emphasis on the CUDA architecture of NVIDIA. The simple and well-documented Application Programming Interface (CUDA API) facilitates the use of the display card workstation as an additional computer unit to the central processor. Four professional solutions of the NVIDIA Quadro line…
We outline how auxiliary-field quantum Monte Carlo (AFQMC) can leverage graphical processing units (GPUs) to accelerate the simulation of solid state sytems. By exploiting conservation of crystal momentum in the one- and two-electron integrals we show how to efficiently formulate the algorithm to best utilize current GPU architectures. We provide a detailed description of different optimization strategies and profile our implementation relative to standard approaches, demonstrating a factor of 40 speed up over a CPU implementation. With this increase in computational power we demonstrate the a…
Graphics Processing Units (GPUs) can speed up the numerical solution of various problems in astrophysics including the dynamical evolution of stellar systems; the performance gain can be more than a factor 100 compared to using a Central Processing Unit only. In this work I describe some strategies to speed up the classical $N$-body problem using GPUs. I show some features of the $N$-body code HiGPUs as template code. In this context, I also give some hints on the parallel implementation of a regularization method and I introduce the code HiGPUs-R. Although the main application of this work co…
We present an implementation of phaseless Auxiliary-Field Quantum Monte Carlo (ph-AFQMC) utilizing graphical processing units (GPUs). The AFQMC method is recast in terms of matrix operations which are spread across thousands of processing cores and are executed in batches using custom Compute Unified Device Architecture kernels and the hardware-optimized cuBLAS matrix library. Algorithmic advances include a batched Sherman-Morrison-Woodbury algorithm to quickly update matrix determinants and inverses, density-fitting of the two-electron integrals, an energy algorithm involving a high-dimension…
Highly-parallel graphics processing units (GPUs) can improve the speed of micromagnetic simulations significantly as compared to conventional computing using central processing units (CPUs). We present a strategy for performing GPU-accelerated micromagnetic simulations by utilizing cost-effective GPU access offered by cloud computing services with an open-source Python-based program for running the MuMax3 micromagnetics code remotely. We analyze the scaling and cost benefits of using cloud computing for micromagnetics.
The predominance of Kohn-Sham density functional theory (KS-DFT) for the theoretical treatment of large experimentally relevant systems in molecular chemistry and materials science relies primarily on the existence of efficient software implementations which are capable of leveraging the latest advances in modern high performance computing (HPC). With recent trends in HPC leading towards in increasing reliance on heterogeneous accelerator based architectures such as graphics processing units (GPU), existing code bases must embrace these architectural advances to maintain the high-levels of per…
We present a new method for numerical hydrodynamics which uses a multidimensional generalisation of the Roe solver and operates on an unstructured triangular mesh. The main advantage over traditional methods based on Riemann solvers, which commonly use one-dimensional flux estimates as building blocks for a multidimensional integration, is its inherently multidimensional nature, and as a consequence its ability to recognise multidimensional stationary states that are not hydrostatic. A second novelty is the focus on Graphics Processing Units (GPUs). By tailoring the algorithms specifically to …
