Using GPUs to Compute Large Out-of-card FFTs

ABSTRACT The optimization of Fast Fourier Transfer (FFT) problems that can fit into GPU memory has been studied extensively. Such on-card FFT libraries like CUFFT can generally achieve much better performance than their counterparts on a CPU, as the data transfer between CPU and GPU is usually not counted in their performance. This high performance, however, is limited by the GPU memory size. When the FFT problem size increases, the data transfer between system and GPU memory can comprise a substantial part of the overall execution time. Therefore, optimizations for FFT problems that outgrow the GPU memory can not bypass the tuning of data transfer between CPU and GPU. However, no prior study has attacked this problem. This paper is the first effort of using GPUs to efficiently compute large FFTs in the CPU memory of a single compute node. In this paper, the performance of the PCI bus during the transfer of a batch of FFT subarrays is studied and a blocked buffer algorithm is proposed to improve the effective bandwidth. More importantly, several FFT decomposition algorithms are proposed so as to increase the data locality, further improve the PCI bus efficiency and balance computation between kernels. By integrating the above two methods, we demonstrate an out-of-card FFT optimization strategy and develop an FFT library that efficiently computes large 1D, 2D and 3D FFTs that can not fit into the GPU's memory. On three of the latest GPUs, our large FFT library achieves much better double precision performance than two of the most efficient CPU based libraries, FFTW and Intel MKL. On average, our large FFTs on a single GeForce GTX480 are 46% faster than FFTW and 57% faster than MKL with multiple threads running on a four-core Intel i7 CPU. The speedup on a Tesla C2070 is 1.93× and 2.11× over FFTW and MKL. A peak performance of 21GFLOPS is achieved for a 2D FFT of size 2048 × 65536 on C2070 with double precision

Application of graphics processing units to search pipelines for gravitational waves from coalescing binaries of compact objects

We report a novel application of a graphics processing unit (GPU) for the purpose of accelerating the search pipelines for gravitational waves from coalescing binaries of compact objects. A speed-up of 16-fold in total has been achieved with an NVIDIA GeForce 8800 Ultra GPU card compared with one core of a 2.5 GHz Intel Q9300 central processing unit (CPU). We show that substantial improvements are possible and discuss the reduction in CPU count required for the detection of inspiral sources afforded by the use of GPUs

Landau Gauge Fixing on GPUs

In this paper we present and explore the performance of Landau gauge fixing in GPUs using CUDA. We consider the steepest descent algorithm with Fourier acceleration, and compare the GPU performance with a parallel CPU implementation. Using $32^4$ lattice volumes, we find that the computational power of a single Tesla C2070 GPU is equivalent to approximately 256 CPU cores.Comment: 10 pages, 3 figures and 3 table

Spherical harmonic transform with GPUs

We describe an algorithm for computing an inverse spherical harmonic transform suitable for graphic processing units (GPU). We use CUDA and base our implementation on a Fortran90 routine included in a publicly available parallel package, S2HAT. We focus our attention on the two major sequential steps involved in the transforms computation, retaining the efficient parallel framework of the original code. We detail optimization techniques used to enhance the performance of the CUDA-based code and contrast them with those implemented in the Fortran90 version. We also present performance comparisons of a single CPU plus GPU unit with the S2HAT code running on either a single or 4 processors. In particular we find that use of the latest generation of GPUs, such as NVIDIA GF100 (Fermi), can accelerate the spherical harmonic transforms by as much as 18 times with respect to S2HAT executed on one core, and by as much as 5.5 with respect to S2HAT on 4 cores, with the overall performance being limited by the Fast Fourier transforms. The work presented here has been performed in the context of the Cosmic Microwave Background simulations and analysis. However, we expect that the developed software will be of more general interest and applicability

ARKCoS: Artifact-Suppressed Accelerated Radial Kernel Convolution on the Sphere

We describe a hybrid Fourier/direct space convolution algorithm for compact radial (azimuthally symmetric) kernels on the sphere. For high resolution maps covering a large fraction of the sky, our implementation takes advantage of the inexpensive massive parallelism afforded by consumer graphics processing units (GPUs). Applications involve modeling of instrumental beam shapes in terms of compact kernels, computation of fine-scale wavelet transformations, and optimal filtering for the detection of point sources. Our algorithm works for any pixelization where pixels are grouped into isolatitude rings. Even for kernels that are not bandwidth limited, ringing features are completely absent on an ECP grid. We demonstrate that they can be highly suppressed on the popular HEALPix pixelization, for which we develop a freely available implementation of the algorithm. As an example application, we show that running on a high-end consumer graphics card our method speeds up beam convolution for simulations of a characteristic Planck high frequency instrument channel by two orders of magnitude compared to the commonly used HEALPix implementation on one CPU core while maintaining at typical a fractional RMS accuracy of about 1 part in 10^5.Comment: 10 pages, 6 figures. Submitted to Astronomy and Astrophysics. Replaced to match published version. Code can be downloaded at https://github.com/elsner/arkco

High Lundquist Number Simulations of Parker\u27s Model of Coronal Heating: Scaling and Current Sheet Statistics Using Heterogeneous Computing Architectures

Parker\u27s model [Parker, Astrophys. J., 174, 499 (1972)] is one of the most discussed mechanisms for coronal heating and has generated much debate. We have recently obtained new scaling results for a 2D version of this problem suggesting that the heating rate becomes independent of resistivity in a statistical steady state [Ng and Bhattacharjee, Astrophys. J., 675, 899 (2008)]. Our numerical work has now been extended to 3D using high resolution MHD numerical simulations. Random photospheric footpoint motion is applied for a time much longer than the correlation time of the motion to obtain converged average coronal heating rates. Simulations are done for different values of the Lundquist number to determine scaling. In the high-Lundquist number limit (S \u3e 1000), the coronal heating rate obtained is consistent with a trend that is independent of the Lundquist number, as predicted by previous analysis and 2D simulations. We will present scaling analysis showing that when the dissipation time is comparable or larger than the correlation time of the random footpoint motion, the heating rate tends to become independent of Lundquist number, and that the magnetic energy production is also reduced significantly. We also present a comprehensive reprogramming of our simulation code to run on NVidia graphics processing units using the Compute Unified Device Architecture (CUDA) and report code performance on several large scale heterogenous machines

Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS

GROMACS is a widely used package for biomolecular simulation, and over the last two decades it has evolved from small-scale efficiency to advanced heterogeneous acceleration and multi-level parallelism targeting some of the largest supercomputers in the world. Here, we describe some of the ways we have been able to realize this through the use of parallelization on all levels, combined with a constant focus on absolute performance. Release 4.6 of GROMACS uses SIMD acceleration on a wide range of architectures, GPU offloading acceleration, and both OpenMP and MPI parallelism within and between nodes, respectively. The recent work on acceleration made it necessary to revisit the fundamental algorithms of molecular simulation, including the concept of neighborsearching, and we discuss the present and future challenges we see for exascale simulation - in particular a very fine-grained task parallelism. We also discuss the software management, code peer review and continuous integration testing required for a project of this complexity.Comment: EASC 2014 conference proceedin

General Purpose Computation on Graphics Processing Units Using OpenCL

Computational Science has emerged as a third pillar of science along with theory and experiment, where the parallelization for scientific computing is promised by different shared and distributed memory architectures such as, super-computer systems, grid and cluster based systems, multi-core and multiprocessor systems etc. In the recent years the use of GPUs (Graphic Processing Units) for General purpose computing commonly known as GPGPU made it an exciting addition to high performance computing systems (HPC) with respect to price and performance ratio. Current GPUs consist of several hundred computing cores arranged in streaming multi-processors so the degree of parallelism is promising. Moreover with the development of new and easy to use interfacing tools and programming languages such as OpenCL and CUDA made the GPUs suitable for different computation demanding applications such as micromagnetic simulations. In micromagnetic simulations, the study of magnetic behavior at very small time and space scale demands a huge computation time, where the calculation of magnetostatic field with complexity of O(Nlog(N)) using FFT algorithm for discrete convolution is the main contribution towards the whole simulation time, and it is computed many times at each time step interval. This study and observation of magnetization behavior at sub-nanosecond time-scales is crucial to a number of areas such as magnetic sensors, non volatile storage devices and magnetic nanowires etc. Since micromagnetic codes in general are suitable for parallel programming as it can be easily divided into independent parts which can run in parallel, therefore current trend for micromagnetic code concerns shifting the computationally intensive parts to GPUs. My PhD work mainly focuses on the development of highly parallel magnetostatic field solver for micromagnetic simulators on GPUs. I am using OpenCL for GPU implementation, with consideration that it is an open standard for parallel programming of heterogeneous systems for cross platform. The magnetostatic field calculation is dominated by the multidimensional FFTs (Fast Fourier Transform) computation. Therefore i have developed the specialized OpenCL based 3D-FFT library for magnetostatic field calculation which made it possible to fully exploit the zero padded input data with out transposition and symmetries inherent in the field calculation. Moreover it also provides a common interface for different vendors' GPUs. In order to fully utilize the GPUs parallel architecture the code needs to handle many hardware specific technicalities such as coalesced memory access, data transfer overhead between GPU and CPU, GPU global memory utilization, arithmetic computation, batch execution etc. In the second step to further increase the level of parallelism and performance, I have developed a parallel magnetostatic field solver on multiple GPUs. Utilizing multiple GPUs avoids dealing with many of the limitations of GPUs (e.g., on-chip memory resources) by exploiting the combined resources of multiple on board GPUs. The GPU implementation have shown an impressive speedup against equivalent OpenMp based parallel implementation on CPU, which means the micromagnetic simulations which require weeks of computation on CPU now can be performed very fast in hours or even in minutes on GPUs. In parallel I also worked on ordered queue management on GPUs. Ordered queue management is used in many applications including real-time systems, operating systems, and discrete event simulations. In most cases, the efficiency of an application itself depends on usage of a sorting algorithm for priority queues. Lately, the usage of graphic cards for general purpose computing has again revisited sorting algorithms. In this work i have presented the analysis of different sorting algorithms with respect to sorting time, sorting rate and speedup on different GPU and CPU architectures and provided a new sorting technique on GPU