FISH: A 3D parallel MHD code for astrophysical applications

FISH is a fast and simple ideal magneto-hydrodynamics code that scales to ~10 000 processes for a Cartesian computational domain of ~1000^3 cells. The simplicity of FISH has been achieved by the rigorous application of the operator splitting technique, while second order accuracy is maintained by the symmetric ordering of the operators. Between directional sweeps, the three-dimensional data is rotated in memory so that the sweep is always performed in a cache-efficient way along the direction of contiguous memory. Hence, the code only requires a one-dimensional description of the conservation equations to be solved. This approach also enable an elegant novel parallelisation of the code that is based on persistent communications with MPI for cubic domain decomposition on machines with distributed memory. This scheme is then combined with an additional OpenMP parallelisation of different sweeps that can take advantage of clusters of shared memory. We document the detailed implementation of a second order TVD advection scheme based on flux reconstruction. The magnetic fields are evolved by a constrained transport scheme. We show that the subtraction of a simple estimate of the hydrostatic gradient from the total gradients can significantly reduce the dissipation of the advection scheme in simulations of gravitationally bound hydrostatic objects. Through its simplicity and efficiency, FISH is as well-suited for hydrodynamics classes as for large-scale astrophysical simulations on high-performance computer clusters. In preparation for the release of a public version, we demonstrate the performance of FISH in a suite of astrophysically orientated test cases.Comment: 27 pages, 11 figure

Parallel Tempering Simulation of the three-dimensional Edwards-Anderson Model with Compact Asynchronous Multispin Coding on GPU

Monte Carlo simulations of the Ising model play an important role in the field of computational statistical physics, and they have revealed many properties of the model over the past few decades. However, the effect of frustration due to random disorder, in particular the possible spin glass phase, remains a crucial but poorly understood problem. One of the obstacles in the Monte Carlo simulation of random frustrated systems is their long relaxation time making an efficient parallel implementation on state-of-the-art computation platforms highly desirable. The Graphics Processing Unit (GPU) is such a platform that provides an opportunity to significantly enhance the computational performance and thus gain new insight into this problem. In this paper, we present optimization and tuning approaches for the CUDA implementation of the spin glass simulation on GPUs. We discuss the integration of various design alternatives, such as GPU kernel construction with minimal communication, memory tiling, and look-up tables. We present a binary data format, Compact Asynchronous Multispin Coding (CAMSC), which provides an additional $28.4\%$ speedup compared with the traditionally used Asynchronous Multispin Coding (AMSC). Our overall design sustains a performance of 33.5 picoseconds per spin flip attempt for simulating the three-dimensional Edwards-Anderson model with parallel tempering, which significantly improves the performance over existing GPU implementations.Comment: 15 pages, 18 figure

NLSEmagic: Nonlinear Schr\"odinger Equation Multidimensional Matlab-based GPU-accelerated Integrators using Compact High-order Schemes

We present a simple to use, yet powerful code package called NLSEmagic to numerically integrate the nonlinear Schr\"odinger equation in one, two, and three dimensions. NLSEmagic is a high-order finite-difference code package which utilizes graphic processing unit (GPU) parallel architectures. The codes running on the GPU are many times faster than their serial counterparts, and are much cheaper to run than on standard parallel clusters. The codes are developed with usability and portability in mind, and therefore are written to interface with MATLAB utilizing custom GPU-enabled C codes with the MEX-compiler interface. The packages are freely distributed, including user manuals and set-up files.Comment: 37 pages, 13 figure

An Efficient Cell List Implementation for Monte Carlo Simulation on GPUs

Maximizing the performance potential of the modern day GPU architecture requires judicious utilization of available parallel resources. Although dramatic reductions can often be obtained through straightforward mappings, further performance improvements often require algorithmic redesigns to more closely exploit the target architecture. In this paper, we focus on efficient molecular simulations for the GPU and propose a novel cell list algorithm that better utilizes its parallel resources. Our goal is an efficient GPU implementation of large-scale Monte Carlo simulations for the grand canonical ensemble. This is a particularly challenging application because there is inherently less computation and parallelism than in similar applications with molecular dynamics. Consistent with the results of prior researchers, our simulation results show traditional cell list implementations for Monte Carlo simulations of molecular systems offer effectively no performance improvement for small systems [5, 14], even when porting to the GPU. However for larger systems, the cell list implementation offers significant gains in performance. Furthermore, our novel cell list approach results in better performance for all problem sizes when compared with other GPU implementations with or without cell lists.Comment: 30 page

Simulating spin models on GPU

Over the last couple of years it has been realized that the vast computational power of graphics processing units (GPUs) could be harvested for purposes other than the video game industry. This power, which at least nominally exceeds that of current CPUs by large factors, results from the relative simplicity of the GPU architectures as compared to CPUs, combined with a large number of parallel processing units on a single chip. To benefit from this setup for general computing purposes, the problems at hand need to be prepared in a way to profit from the inherent parallelism and hierarchical structure of memory accesses. In this contribution I discuss the performance potential for simulating spin models, such as the Ising model, on GPU as compared to conventional simulations on CPU.Comment: 5 pages, 4 figures, elsarticl

StochKit-FF: Efficient Systems Biology on Multicore Architectures

The stochastic modelling of biological systems is an informative, and in some cases, very adequate technique, which may however result in being more expensive than other modelling approaches, such as differential equations. We present StochKit-FF, a parallel version of StochKit, a reference toolkit for stochastic simulations. StochKit-FF is based on the FastFlow programming toolkit for multicores and exploits the novel concept of selective memory. We experiment StochKit-FF on a model of HIV infection dynamics, with the aim of extracting information from efficiently run experiments, here in terms of average and variance and, on a longer term, of more structured data.Comment: 14 pages + cover pag

The GENGA Code: Gravitational Encounters in N-body simulations with GPU Acceleration

We describe an open source GPU implementation of a hybrid symplectic N-body integrator, GENGA (Gravitational ENcounters with Gpu Acceleration), designed to integrate planet and planetesimal dynamics in the late stage of planet formation and stability analyses of planetary systems. GENGA uses a hybrid symplectic integrator to handle close encounters with very good energy conservation, which is essential in long-term planetary system integration. We extended the second order hybrid integration scheme to higher orders. The GENGA code supports three simulation modes: Integration of up to 2048 massive bodies, integration with up to a million test particles, or parallel integration of a large number of individual planetary systems. We compare the results of GENGA to Mercury and pkdgrav2 in respect of energy conservation and performance, and find that the energy conservation of GENGA is comparable to Mercury and around two orders of magnitude better than pkdgrav2. GENGA runs up to 30 times faster than Mercury and up to eight times faster than pkdgrav2. GENGA is written in CUDA C and runs on all NVIDIA GPUs with compute capability of at least 2.0.Comment: Accepted by ApJ. 18 pages, 17 figures, 4 table