Allocating modelling resources in distributed model management systems

Due to the growing popularity of distributed computing systems and the increased level of modelling activity in most organizations, significant benefits can be realized through the implementation of distributed model management systems (DMMS). These systems can be defined as a collection of logically related modelling resources distributed over a computer network. In several ways, functions of DMMS are isomorphic to those of distributed database systems. In general, this paper examines issues viewed as central to the development of distributed model bases (DMB). Several criteria relevant to the overall DMB design problem are discussed. Specifically, this paper focuses on the problem of distributing decision models and tools (solvers), henceforth referred to as theModel Allocation Problem (MAP), to individual computing sites in a geographically dispersed organization. In this research, a 0/1 integer programming model is formulated for the MAP, and an efficient dual ascent heuristic is proposed. Our extensive computational study shows in most instances heuristic-generated solutions which are guaranteed to be within 1.5–7% of optimality. Further, even problems with 420 integer and 160,000 continuous variables took no more than 60 seconds on an IBM 3090-600E computer.     

Parallel computation of the flow of integral viscoelastic fluids on a heterogeneous network of workstations

We consider the parallel computation of flows of integral viscoelastic fluids on a heterogeneous network of workstations. The proposed methodology is relevant to computational mechanics problems which involve a compute-intensive treatment of internal variables (e.g. fibre suspension flow and deformation of viscoplastic solids). The main parallel computing issue in such applications is that of load balancing. Both static and dynamic allocation of work to processors are considered in the present paper. The proposed parallel algorithms have been implemented in an experimental, parallel version of the commercial POLYFLOW package developed in Louvain-la-Neuve. The implementation uses the public domain PVM software library (Parallel Virtual Machine), which we have extended in order to ease porting to heterogeneous networks. We describe parallel efficiency results obtained with three PVM configurations, involving up to seven workstations with maximum relative processing speeds of five. The physical problems are the stick/slip and abrupt contraction flows of a K.B.K.Z. integral fluid. Using static allocation, parallel efficiencies in the range 67%–85% were obtained on a PVM network with four workstations having relative speeds of 2:1:1:1. Parallel efficiencies higher than 90% were obtained on the three PVM configurations using the dynamic load-balancing schemes.     

An MPI parallel level-set algorithm for propagating front curvature dependent detonation shock fronts in complex geometries

We present a parallel, two-dimensional, grid-based algorithm for solving a level-set function PDE that arises in Detonation Shock Dynamics (DSD). In the DSD limit, the detonation shock propagates at a speed that is a function of the curvature of the shock surface, subject to a set of boundary conditions applied along the boundaries of the detonating explosive. Our method solves for the full level-set function field, φ(x, y, t), that locates the detonation shock with a modified level-set function PDE that continuously renormalises the level-set function to a distance function based off of the locus of the shock surface, φ(x, y, t)=0. The boundary conditions are applied with ghost nodes that are sorted according to their connectivity to the interior explosive nodes. This allows the boundary conditions to be applied via a local, direct evaluation procedure. We give an extension of this boundary condition application method to three dimensions. Our parallel algorithm is based on a domain-decomposition model which uses the Message-Passing Interface (MPI) paradigm. The computational order of the full level-set algorithm, which is O(N ⁴), where N is the number of grid points along a coordinate line, makes an MPI-based algorithm an attractive alternative. This parallel model partitions the overall explosive domain into smaller sub-domains which in turn get mapped onto processors that are topologically arranged into a two-dimensional rectangular grid. A comparison of our numerical solution with an exact solution to the problem of a detonation rate stick shows that our numerical solution converges at better than first-order accuracy as measured by an L1-norm. This represents an improvement over the convergence properties of narrow-band level-set function solvers, whose convergence is limited to a floor set by the width of the narrow band. The efficiency of the narrow-band method is recovered by using our parallel model.     

Implementation of controlled phase shift gates and Collins version of Deutsch-Jozsa algorithm on a quadrupolar spin-7/2 nucleus using non-adiabatic geometric phases

In this work controlled phase shift gates are implemented on a qaudrupolar system, by using non-adiabatic geometric phases. A general procedure is given, for implementing controlled phase shift gates in an ‘N’ level system. The utility of such controlled phase shift gates, is demonstrated here by implementing 3-qubit Deutsch–Jozsa algorithm on a spin-7/2 quadrupolar nucleus oriented in a liquid crystal matrix.     

随机有限元分析的二级区域分解并行求解算法

采用蒙特卡罗模拟(MCS)和加权积分法对二维问题进行随机有限元分析。尽管MCS方法对任何有确定解的问题都具有求解精度高的优点,但由于求解所需的计算量巨大使其应用受到限制。利用并行求解技术可有效地处理这种密集型计算问题。基于有限元分裂对接法(FETI)的并行特性并利用预处理共轭梯度法(PCG)的求解高效性,结合整体子区域实现(GSI-PCG)和FETI法,提出二级求解算法,并在工作站机群上实现了数值算例。算例计算结果表明本文GSI(PCG)-FETI算法具有较高的并行加速比和并行效率,具有良好的性能,可有效地进行二维问题的随机有限元分析。     

A parallel adaptive mesh approach for flowfields with shock waves

A simple and efficient implementation of Adaptive Mesh Refinement (AMR) with distributed-memory approach is presented. Introducing a lookup table including grid connectivity information and simplified algorithms for AMR, the procedures for reconstructing adaptive grids are carried out in parallel, with local data to a large extent. A simple static load-balancing scheme is adopted, and the grids are not repartitioned and no data redistribution is performed. A numerical example on two different parallel computers shows that the proposed implementation of AMR is effective to reduce the computational time for unsteady flows with shock waves. Received 23 October 2000 / Accepted 30 March 2001 Published online 11 June 2002     

Steepest-descent failure analysis

An extensive failure analysis of the steepest-descent optimization algorithm has been made. Each of the ways in which the algorithm can fail is discussed in terms of both the mathematical and numerical manifestations of a failure and the information which each type of failure provides about the formulation of the physical problem. Numerical tests for each of the various types of failure are described; several faulty problem formulations are presented, each of which illustrates a particular type of failure. A table is presented in which all failure modes are summarized and the corresponding numerical tests are exhibited.     

平行平板横向剪切干涉仪装调误差的矫正方法研究

对平行平板双光路横向剪切干涉仪的装调进行了研究,提出了一种矫正两个平行平板之间角度误差的方法.输出激光的波前采用Zernike多项式拟合,经过理论推导,发现两个方向差分波前求解出的倾斜像散之差与平行平板的角度误差存在线性关系,利用两个方向倾斜像散之差来矫正两个平行平板之间的角度误差.在平行平板横向剪切干涉仪的装调过程中...     

A macroporous polymer-supported cyclic anhydride for efficient sequestration of amines

The efficient removal of primary and secondary amines from organic solutions using a macroporous polymer-supported anhydride is described. The sequestering of primary amines by the anhydride via polymer-bound amide formation is completed within 2-4 h at room temperature. Secondary amines require typically 4 h for complete sequestration.     

Synchronous fluorescence and UV-vis spectroscopic studies of interactions between the tetracycline antibiotic, aluminium ions and DNA with the aid of the Methylene Blue dye probe

Synchronous fluorescence spectroscopy (SFS) was applied for the investigation of interactions of the antibiotic, tetracycline (TC), with DNA in the presence of aluminium ions (Al³⁺). The study was facilitated by the use of the Methylene Blue (MB) dye probe, and the interpretation of the spectral data with the aid of the chemometrics method, parallel factor analysis (PARAFAC). Three-way synchronous fluorescence analysis extracted the important optimum constant wavelength differences, Δλ, and showed that for the TC-Al³⁺-DNA, TC-Al³⁺ and MB dye systems, the associated Δλ values were different (Δλ = 80, 75 and 30 nm, respectively). Subsequent PARAFAC analysis demonstrated the extraction of the equilibrium concentration profiles for the TC-Al³⁺, TC-Al³⁺-DNA and MB probe systems. This information is unobtainable by conventional means of data interpretation. The results indicated that the MB dye interacted with the TC-Al³⁺-DNA surface complex, presumably via a reaction intermediate, TC-Al³⁺-DNA-MB, leading to the displacement of the TC-Al³⁺ by the incoming MB dye probe.