二维多群辐射输运程序LARED-R-1的并行化

利用有向图描述数据依赖关系,应用已有的并行流水线通量扫描算法,实现基于非协调网格的二维辐射输运程序LARED-R-1的并行化.同时,采用消息缓冲技术提高并行程序的性能.经测试,对于典型的问题规模(100群、3800个网格单元、40个方向),在某并行机的64个和128个处理器上,并行程序分别获得80%和53%的并行效率.     

A minimization version of a directed subgraph homeomorphism problem

We consider a special case of the directed subgraph homeomorphism or topological minor problem, where the host graph has a specific regular structure. Given an acyclic directed pattern graph, we are looking for a host graph of minimal height which still allows for an embedding. This problem has applications in compiler design for certain coarse-grain reconfigurable architectures. In this application domain, the task is to simultaneously schedule, bind and route a so-called data-flow graph, where vertices represent operations and arcs stand for data dependencies between the operations, given an orthogonal grid structure of reconfigurable processing elements (PEs) that have restricted communication abilities. We show that the problem of simultaneously scheduling, binding and routing is NP-complete by describing a logic engine reduction from NAE-3-SAT. This result holds even when the input graph is a directed tree with maximum indegree two. We also give a |V|^3/2-approximation algorithm. J. A. Brenner’s research supported by the DFG Research Center Matheon “Mathematics for key technologies”. J. C. van der Veen’s research supported by DFG Focus Program 1148, “Reconfigurable Architectures”, Grants FE 407/8-1 and FE 407/8-2.     

Topological structure preserving numerical simulations of dynamical models

This paper brings together two methods producing numerical solutions with a statement of their quality — the nonstandard finite difference method and the method of validated computing. It deals with the construction and the analysis of reliable numerical discretizations of dynamical systems by employing these two techniques. An epidemiological model is used as a model example for their combined application.     

Parallel preconditioned conjugate gradient algorithm on GPU

We propose a parallel implementation of the Preconditioned Conjugate Gradient algorithm on a GPU platform. The preconditioning matrix is an approximate inverse derived from the SSOR preconditioner. Used through sparse matrix–vector multiplication, the proposed preconditioner is well suited for the massively parallel GPU architecture. As compared to CPU implementation of the conjugate gradient algorithm, our GPU preconditioned conjugate gradient implementation is up to 10 times faster (8 times faster at worst).     

Coupled Navier–Stokes—Molecular dynamics simulations using a multi‐physics flow simulation framework

Simulation of nano‐scale channel flows using a coupled Navier–Stokes/Molecular Dynamics (MD) method is presented. The flow cases serve as examples of the application of a multi‐physics computational framework put forward in this work. The framework employs a set of (partially) overlapping sub‐domains in which different levels of physical modelling are used to describe the flow. This way, numerical simulations based on the Navier–Stokes equations can be extended to flows in which the continuum and/or Newtonian flow assumptions break down in regions of the domain, by locally increasing the level of detail in the model. Then, the use of multiple levels of physical modelling can reduce the overall computational cost for a given level of fidelity. The present work describes the structure of a parallel computational framework for such simulations, including details of a Navier–Stokes/MD coupling, the convergence behaviour of coupled simulations as well as the parallel implementation. For the cases considered here, micro‐scale MD problems are constructed to provide viscous stresses for the Navier–Stokes equations. The first problem is the planar Poiseuille flow, for which the viscous fluxes on each cell face in the finite‐volume discretization are evaluated using MD. The second example deals with fully developed three‐dimensional channel flow, with molecular level modelling of the shear stresses in a group of cells in the domain corners. An important aspect in using shear stresses evaluated with MD in Navier–Stokes simulations is the scatter in the data due to the sampling of a finite ensemble over a limited interval. In the coupled simulations, this prevents the convergence of the system in terms of the reduction of the norm of the residual vector of the finite‐volume discretization of the macro‐domain. Solutions to this problem are discussed in the present work, along with an analysis of the effect of number of realizations and sample duration. The averaging of the apparent viscosity for each cell face, i.e. the ratio of the shear stress predicted from MD and the imposed velocity gradient, over a number of macro‐scale time steps is shown to be a simple but effective method to reach a good level of convergence of the coupled system. Finally, the parallel efficiency of the developed method is demonstrated. Copyright © 2009 John Wiley & Sons, Ltd.     

Solid structures in a highly agitated bed of granular materials

A series of experiments are described in which bubbles and solid structures are produced in a highly agitated bed of vertically shaken granular materials. To identify the physical mechanisms behind bubbling, three-dimensional simulations of the aforementioned systems are performed on a graphics processing unit (GPU). The gas dynamics above and within shaken granular materials is solved using large-eddy simulations (LES) while the dynamics of grains is described through molecular dynamics. Here, the interaction between the grain surfaces is modeled using the generalized form of contact theory developed by Hertz. In addition, the coefficient of kinetic friction is assumed to depend on the relative velocity of slipping. The results show both a qualitative and a quantitative agreement between simulations and experiments. They imply that the instantaneous formation and failure of granular aggregates could play an important role in the nucleation, growth, departure and collapse of bubbles in shaken granular materials. This promising effort in GPU computing may position the GPU as a compelling future alternative to traditional simulation techniques.     

Seasonal variability of cloud optical depth over northwestern China derived from CERES/MODIS satellite measurements

The seasonal variability of cloud optical depth over northwestern China derived from Clouds and the Earth＇s Radiant Energy System （CERES） Single Scanner Footprint （SSF） Aqua Moderate Resolution Imaging Spectroradiometer （MODIS） Edition IB data from July 2002 to June 2004 is presented. The regions of interest are those with Asia monsoon influence, the Tianshan and Qilian Mountains, and the Taklimakan Desert. The results show that the instantaneous measurements presented here are much higher than the previous results derived from International Satellite Cloud Climatology Project （ISCCP） D2 monthly mean data. Generally the measurements of cloud optical depth are the highest in summer and the lowest in winter, however, Taklimakan Desert has the lowest measurements in autumn. The regional variation is quite significant over northwestern China.     

Calculation of electron wave functions and refractive index of Ne

The radial wave functions of inner electron shell and outer electron shell of a Ne atom were obtained by the approximate analytical method and tested by calculating the ground state energy of the Ne atom. The equivalent volume of electron cloud and the refractive index of Ne were calculated. The calculated refractive index agrees well with the experimental result. Relationship between the refractive index and the wave function of Ne was discovered. Supported by the New Star Program of Beijing Science and Technology, China (Grant No. 952870400), the Beijing Municipal Commission of Education, and the Excellent Young Teachers Program of Ministry of Education, China