Mixing multi-core CPUs and GPUs for scientific simulation software

Recent technological and economic developments have led to widespread availability of multi-core CPUs and specialist accelerator processors such as graphical processing units (GPUs). The accelerated computational performance possible from these devices can be very high for some applications paradigms. Software languages and systems such as NVIDIA's CUDA and Khronos consortium's open compute language (OpenCL) support a number of individual parallel application programming paradigms. To scale up the performance of some complex systems simulations, a hybrid of multi-core CPUs for coarse-grained parallelism and very many core GPUs for data parallelism is necessary. We describe our use of hybrid applica- tions using threading approaches and multi-core CPUs to control independent GPU devices. We present speed-up data and discuss multi-threading software issues for the applications level programmer and o er some suggested areas for language development and integration between coarse-grained and ne-grained multi-thread systems. We discuss results from three common simulation algorithmic areas including: partial di erential equations; graph cluster metric calculations and random number generation. We report on programming experiences and selected performance for these algorithms on: single and multiple GPUs; multi-core CPUs; a CellBE; and using OpenCL. We discuss programmer usability issues and the outlook and trends in multi-core programming for scienti c applications developers

Hardware acceleration of reaction-diffusion systems:a guide to optimisation of pattern formation algorithms using OpenACC

Reaction Diffusion Systems (RDS) have widespread applications in computational ecology, biology, computer graphics and the visual arts. For the former applications a major barrier to the development of effective simulation models is their computational complexity - it takes a great deal of processing power to simulate enough replicates such that reliable conclusions can be drawn. Optimizing the computation is thus highly desirable in order to obtain more results with less resources. Existing optimizations of RDS tend to be low-level and GPGPU based. Here we apply the higher-level OpenACC framework to two case studies: a simple RDS to learn the ‘workings’ of OpenACC and a more realistic and complex example. Our results show that simple parallelization directives and minimal data transfer can produce a useful performance improvement. The relative simplicity of porting OpenACC code between heterogeneous hardware is a key benefit to the scientific computing community in terms of speed-up and portability

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

GeNN: a code generation framework for accelerated brain simulations

Large-scale numerical simulations of detailed brain circuit models are important for identifying hypotheses on brain functions and testing their consistency and plausibility. An ongoing challenge for simulating realistic models is, however, computational speed. In this paper, we present the GeNN (GPU-enhanced Neuronal Networks) framework, which aims to facilitate the use of graphics accelerators for computational models of large-scale neuronal networks to address this challenge. GeNN is an open source library that generates code to accelerate the execution of network simulations on NVIDIA GPUs, through a flexible and extensible interface, which does not require in-depth technical knowledge from the users. We present performance benchmarks showing that 200-fold speedup compared to a single core of a CPU can be achieved for a network of one million conductance based Hodgkin-Huxley neurons but that for other models the speedup can differ. GeNN is available for Linux, Mac OS X and Windows platforms. The source code, user manual, tutorials, Wiki, in-depth example projects and all other related information can be found on the project website http://genn-team.github.io/genn/

q-State Potts model metastability study using optimized GPU-based Monte Carlo algorithms

We implemented a GPU based parallel code to perform Monte Carlo simulations of the two dimensional q-state Potts model. The algorithm is based on a checkerboard update scheme and assigns independent random numbers generators to each thread. The implementation allows to simulate systems up to ~10^9 spins with an average time per spin flip of 0.147ns on the fastest GPU card tested, representing a speedup up to 155x, compared with an optimized serial code running on a high-end CPU. The possibility of performing high speed simulations at large enough system sizes allowed us to provide a positive numerical evidence about the existence of metastability on very large systems based on Binder's criterion, namely, on the existence or not of specific heat singularities at spinodal temperatures different of the transition one.Comment: 30 pages, 7 figures. Accepted in Computer Physics Communications. code available at: http://www.famaf.unc.edu.ar/grupos/GPGPU/Potts/CUDAPotts.htm