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A new parallel algorithm for constructing Voronoi tessellations from distributed input data

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Abstract

We present a new parallel algorithm for generating consistent Voronoi diagrams from distributed input data for the purposes of simulation and visualization. The algorithm functions by building upon any serial Voronoi tessellation algorithm. The output of such a serial tessellator is used to determine the connectivity of the distributed domains without any assumptions about how points are distributed across those domains, and then in turn to build the portion of the global tessellation local to each domain using information from that domains neighbors. The result is a generalized methodology for adding distributed capabilities to serial tessellation packages. Results from several two-dimensional tests are presented, including strong and weak scaling of its current implementation.

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... The mesoscale components of the internal structure of concrete (cement stone, aggregates, micropores) are specified explicitly ( Figure 1). Spatial placement and determination of the geometry of particular aggregates in the model samples were carried out using the Voronoi tessellation algorithm [71]. The volume fraction of basalt aggregates was assumed to be 10% in the present study. ...
... Each micropore was introduced by removing the corresponding area of the material from the initial (non-porous) matrix. We Spatial placement and determination of the geometry of particular aggregates in the model samples were carried out using the Voronoi tessellation algorithm [71]. The volume fraction of basalt aggregates was assumed to be 10% in the present study. ...
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... Delaunay triangulation is arguably known as the most common discrete representation tool for complex 3D shape models. The problem of computing the Delaunay Triangulation (DT) of large point sets has been considered in different scientific and engineering fields from computer graphics [Fuetterling et al., 2014], scientific visualization [Antaki et al., 2000], fluid simulation [Ando et al., 2013], computer vision [Hiep et al., 2009], multimedia [Tekalp, Ostermann, 2000], pattern recognition [Xiao, Yan, 2003], to geology [Kaufmann, Martin, 2009,Wang et al., 2017 and astrophysics [Sousbie, 2011] [Starinshak et al., 2014] [Zhao et al., 2016]. ...
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... , otherwise s min /(s min + s max ) ∆u ij ≥ 0 and s i ≥ s j , or ∆u ij < 0 and s i < s j s max /(s min + s max ) ∆u ij ≥ 0 and s i < s j , or ∆u ij < 0 and s i ≥ s j (67) s min = min(|s i |, |s j |), s max = max(|s i |, |s j |) 67)). Our standard set of parameters for the viscosity used throughout this paper are C l = 2, C q = 1, 2 = 10 −2 , η crit = 1/n h (where n h is the expected number of nodes per smoothing scale in one dimension), and η fold = 0.2. ...
... In our example, we include the results of a ReALE calculation for comparison. The presented ReALE methodology is based on the original study of [31]; the details of this ReALE implementation can be found in [53,67,65,66]. ...
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... Okabe et al. (2000) show an extensive review on VT computation methods. There are also parallel algorithms for VT computation such as Starinshak et al. (2014), however none of them are open source and freely available to the community. Another parallel VT implementation is tess2 4 (Peterka et al., 2014) , which does not take into account buffer zones and is poorly documented. ...
Preprint
We present a new open source code for massive parallel computation of Voronoi tessellations(VT hereafter) in large data sets. The code is focused for astrophysical purposes where VT densities and neighbors are widely used. There are several serial Voronoi tessellation codes, however no open source and parallel implementations are available to handle the large number of particles/galaxies in current N-body simulations and sky surveys. Parallelization is implemented under MPI and VT using Qhull library. Domain decomposition takes into account consistent boundary computation between tasks, and includes periodic conditions. In addition, the code computes neighbors list, Voronoi density, Voronoi cell volume, density gradient for each particle, and densities on a regular grid.
... Finally, the magnitude of the area or volume containing the molecules can be determined by methods based on the molecular density. They include Delaunay 28,29 (Figure 1c, left) and Voronoi 30,31 ( Figure 1c, middle) tessellations and kernel surface density function, ks-density 32,33 (Figure 1c, right). These are described within the Methods (Supporting Information). ...
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Current methods for determining equilibriumconstants often operate in three-dimensional environments, whichmay not accurately reflect interactions with membrane-boundproteins. With our technique, based on single-molecule localizationmicroscopy (SMLM), we directly determine protein−proteinassociation (Ka) and dissociation (Kd) constants in cellularenvironments by quantifying associated and isolated moleculesand their interaction area. We introduce Kernel Surface Density(ks-density,) a novel method for determining the accessible area forinteracting molecules, eliminating the need for user-definedparameters. Simulation studies validate our method’s accuracyacross various density and affinity conditions. Applying thistechnique to T cell signaling proteins, we determine the 2Dassociation constant of T cell receptors (TCRs) in resting cells and the pseudo-3D dissociation constant of pZAP70 molecules fromphosphorylated intracellular tyrosine-based activation motifs on the TCR-CD3 complex. We address challenges of multiple detectionand molecular labeling efficiency. This method enhances our understanding of protein interactions in cellular environments,advancing our knowledge of complex biological processes. KEYWORDS: equilibrium constant, single-molecule localization microscopy, protein−protein interactions, DNA-PAINT, T cells
... However, algorithms have been proposed for standard CVTs on 2D planes and surfaces which exploit GPU parallelism [42], and in 3D parallel clipped CVTs [52]. A general data distributed parallelism for CVTs was intruduced by Starinshak et al. [45], which also handles restrictions only by clipping. However, clipping will leave randomly fragmented regions along the boundaries depending on the data. ...
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Spatial statistical analysis of multivariate volumetric data can be challenging due to scale, complexity, and occlusion. Advances in topological segmentation, feature extraction, and statistical summarization have helped overcome the challenges. This work introduces a new spatial statistical decomposition method based on level sets, connected components, and a novel variation of the restricted centroidal Voronoi tessellation that is better suited for spatial statistical decomposition and parallel efficiency. The resulting data structures organize features into a coherent nested hierarchy to support flexible and efficient out-of-core region-of-interest extraction. Next, we provide an efficient parallel implementation. Finally, an interactive visualization system based on this approach is designed and then applied to turbulent combustion data. The combined approach enables an interactive spatial statistical analysis workflow for large-scale data with a top-down approach through multiple-levels-of-detail that links phase space statistics with spatial features.
... Thus there is a need to compute the Voronoi tessellation at a large scale and in parallel. Currently, there are some parallel approaches in the literature for computing Voronoi cells in a distributed-memory model [73,74]. Here, we consider parallelizing Voro++ using a shared-memory model with multithreading. ...
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VORO++ is a software library written in C++ for computing the Voronoi tessellation, a technique in computational geometry that is widely used for analyzing systems of particles. VORO++ was released in 2009 and is based on computing the Voronoi cell for each particle individually. Here, we take advantage of modern computer hardware, and extend the original serial version to allow for multithreaded computation of Voronoi cells via the OpenMP application programming interface. We test the performance of the code, and demonstrate that we can achieve parallel efficiencies greater than 95% in many cases. The multithreaded extension follows standard OpenMP programming paradigms, allowing it to be incorporated into other programs. We provide an example of this using the VoroTop software library, performing a multithreaded Voronoi cell topology analysis of up to 102.4 million particles.
... However, algorithms have been proposed for standard CVTs on 2D planes and surfaces which exploit GPU parallelism [42], and in 3D parallel clipped CVTs [52]. A general data distributed parallelism for CVTs was intruduced by Starinshak et al. [45], which also handles restrictions only by clipping. However, clipping will leave randomly fragmented regions along the boundaries depending on the data. ...
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... 27-29 Several parallel implementations are also available. Starinshak et al. 30 use a parallel divide-and-conquer approach, where each processor computes Voronoi cells in a subdomain, after which they are joined together. Other examples include PARAVT, 31 and a GPU implementation. ...
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Many physical systems can be studied as collections of particles embedded in space, often evolving in time. Natural questions arise concerning how to characterize these arrangements—are they ordered or disordered? If they are ordered, how are they ordered and what kinds of defects do they possess? Voronoi tessellations, originally introduced to study problems in pure mathematics, have become a powerful and versatile tool for analyzing countless problems in pure and applied physics. We explain the basics of Voronoi tessellations and the shapes that they produce and describe how they can be used to characterize many physical systems.
... 27,28 Several parallel implementations are also available. Starinshak et al. 29 introduce a parallel divide-and-conquer approach, where each processor computes Voronoi cells in a subdomain, after which they are joined together. Other examples include PARAVT, 30 and a GPU implementation. ...
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Many physical systems can be studied as collections of particles embedded in space, evolving through deterministic evolution equations. Natural questions arise concerning how to characterize these arrangements - are they ordered or disordered? If they are ordered, how are they ordered and what kinds of defects do they possess? Originally introduced to study problems in pure mathematics, Voronoi tessellations have become a powerful and versatile tool for analyzing countless problems in pure and applied physics. In this paper we explain the basics of Voronoi tessellations and the shapes they produce, and describe how they can be used to study many physical systems.
... We assumed that all the porosity of the refractory is concentrated in the matrix. The spatial placement and determination of the large grains' geometry in the model were executed out using the Voronoi tessellation algorithm [43]. Representing by the model of the grain size distribution as during the pressing of the bricks ignores the changes of the grain size and shape to possibly occur during the sintering of the bricks. ...
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Computer modelling is a key tool in the optimisation and development of ceramic refractories utilised as insulation in high-temperature industrial furnaces and reactors. The paper is devoted to the mesoscale computer modelling of silica refractories using the method of homogeneously deformable discrete elements. Approaches to determine the local mechanical properties of the constituents from the global experimental failure parameters and respective crack trajectories are considered. Simulations of the uniaxial compressive and tensile failure in a wide range of quasi-static and dynamic loading rates (102 s−1) are performed. The upper limit of the dynamic loading rates corresponds to the most severe loading rates during the scrap loading on the refractory lining. The dependence of the strength, fracture energy, and brittleness at failure on the loading rate is analysed. The model illustrates that an increase in the loading rate is accompanied by a significant change in the mechanical response of the refractory, including a decrease in the brittleness at failure, a more dispersed failure process, and a higher fraction of the large grain failure. The variation of the grain–matrix interface’s strength has a higher impact on the static compressive than on the static tensile properties of the material, while the material’s dynamic tensile properties are more sensitive to the interface strength than the dynamic compressive properties.
... The regularity of Voronoi diagrams depends on the distribution of seed points. The whole process of generating the random polygon using Voronoi tessellation is described in literature (Sukumar and Tabarraei, 2004;Talischi et al., 2012;Starinshak et al., 2014). By changing the density and distribution of seeds, the desired polygon can be obtained which may represent the size and shape of grain. ...
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The scatter in the fatigue behavior of duplex microstructure titanium alloys occurs due to microstructural randomness. The presence of two phases in titanium alloy microstructure also contributes to the scatter in fatigue life data. In the literature, several mathematical frameworks have been developed to consider the effect of microstructural randomness on the prediction of fatigue scatter. However, no numerical study has been found that considers the effect of presence of two phases on the fatigue life scatter. Thus, in the present work, a mathematical framework based on continuum damage mechanics (CDM) and polygonal finite element method (PFEM) is developed to predict the fatigue life scatter in α+β titanium alloys. In this framework, PFEM is applied to perform the numerical simulations and CDM is used to explain the fatigue behavior of material. In PFEM, the Voronoi tessellation approach is used to generate the idealized microstructure models. The Waschpress shape functions are adopted to compute the shape functions over the arbitrary convex polygonal elements. In CDM, a fatigue damage model is adopted to consider the crack initiation and propagation under the cyclic loading conditions. The advantage of combined CDM-PFEM framework is that the numerical simulation can be performed at relatively coarser mesh which decreases the computational cost and increases the efficiency of the computational model. While predicting the fatigue life, it has been observed that micro cracks may initiate and propagate at several locations inside the microstructure. Thus, to track the nucleation and growth of micro cracks effectively, a machine learning based technique ‘cluster analysis’ is employed in the developed framework. The “cluster analysis” identifies the location and dimensions of the micro and dominant crack patterns in the domain. Furthermore, for an idealized representation of duplex microstructures, both phases of titanium alloy (i.e., primary α and β) are modeled using random distribution function. The effect of different sources of randomness in microstructures i.e., topology of microstructure, grain size, volume fraction of alpha phase, inhomogeneity in elastic modulus and internal voids, on the fatigue life is investigated. Several simulations are performed on the numerically generated microstructures at various loads. The statistical analysis of the predicted fatigue lives data is performed through normal and Weibull distribution fits. The simulation results highlight that the combined CDM-PFEM based framework is simple and an effective tool to predict the fatigue life scatter and can effectively analyze the mean fatigue life in titanium alloys under cyclic loading conditions.
... In this scenario, the post-processing step can be accelerated utilizing modern parallelization techniques. There are several existing methods that can be employed directly in this regard [49,50] and will be considered in the future. ...
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... This work has been initiated thanks to a collaboration with M. Shashkov and R. Loubère from CNRS Toulouse. I also had the opportunity to visit M. Owen from the Lawrence Livermore National Laboratory (LLNL) to work on the generation of polygonal grids using the Polytope library developed by LLNL [55]. Finally, the physical variables are conservatively interpolated from the Lagrangian grid onto the new rezoned one during the remapping phase. ...
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... In this scenario, the post-processing step can be accelerated utilizing modern parallelization techniques. There are several existing methods that can be employed directly in this regard [49,50] and will be considered in the future. ...
Preprint
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... The Voronoi analysis is a spatial proximity analysis method. Parallel computing for constructing Voronoi diagram (Boltcheva & Lévy, 2017;Starinshak, Owen, & Johnson, 2014) is to speed up data analysis as well as visualization. In addition to the above spatial analysis algorithms, a CG_Hadoop framework (Eldawy, Li, Mokbel, & Janardan, 2013) presents a set of fundamental computational geometry operators, namely, polygon union, skyline, convex hull, farthest pair, and closest pair for other geometric algorithms. ...
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... Description of the techniques we use to generate Voronoi tessellation in 2D and 3D using the dual Delaunay triangulation computation are presented -see Figure 1. We also explain the algorithm we are using to compute the tessellation in a MPI parallel context based on [2] and establish the global mesh connectivity. ...
... Description of the techniques we use to generate Voronoi tessellation in 2D and 3D using the dual Delaunay triangulation computation are presented -see Figure 1. We also explain the algorithm we are using to compute the tessellation in a MPI parallel context based on [2] and establish the global mesh connectivity. ...
Presentation
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SHAPO • Cross-platform library developed in C++ - based on VTK to build Voronoi meshes from a set of generators/seeds in a closed domain • Developed at Kitware (France) for LANL since 2013 • Binding layers to use the tool in C, Fortran and Python • Works in serial or in parallel (MPI) • Use Shewchuck’s robust predicates • Self-diagnostic (of I/O) & error managemen
... There are several serial open source VT implementations such as Qhull 1 (Barber et al., 1996), or Voro++ 2 (Rycroft, 2009). There are also parallel algorithms for VT computation such as Starinshak et al. (2014), however none of them are open source and freely available to the community. ...
Article
We present a new open source code for massive parallel computation of Voronoi tessellations(VT hereafter) in large data sets. The code is focused for astrophysical purposes where VT densities and neighbors are widely used. There are several serial Voronoi tessellation codes, however no open source and parallel implementations are available to handle the large number of particles/galaxies in current N-body simulations and sky surveys. Parallelization is implemented under MPI and VT using Qhull library. Domain decomposition take into account consistent boundary computation between tasks, and support periodic conditions. In addition, the code compute neighbors lists, Voronoi density and Voronoi cell volumes for each particle, and can compute density on a regular grid.
... Therefore, mapping particle-based simulations onto a mesh using a Voronoi mesh 9 is beneficial for our proposes. Note, Mapping SPH simulations onto a 9 The Voronoi tessellation has been recently implemented into Voronoi mesh has also been carried out by Hubber et al. (2016), Barcarolo et al. (2014), Starinshak et al. (2014) and Zhou et al. (2007). ...
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Through synthetic observations of a hydrodynamical simulation of an evolving star-forming region, we assess how the choice of observational techniques affects the measurements of properties which trace star formation. Testing and calibrating observational measurements requires synthetic observations which are as realistic as possible. In this part of the paper series (Paper I), we explore different techniques for how to map the distributions of densities and temperatures from the particle-based simulations onto a Voronoi mesh suitable for radiative transfer and consequently explore their accuracy. We further test different ways to set up the radiative transfer in order to produce realistic synthetic observations. We give a detailed description of all methods and ultimately recommend techniques. We have found that the flux around 20 microns is strongly overestimated when blindly coupling the dust radiative transfer temperature with the hydrodynamical gas temperature. We find that when instead assuming a constant background dust temperature in addition to the radiative transfer heating, the recovered flux is consistent with actual observations. We present around 5800 realistic synthetic observations for Spitzer and Herschel bands, at different evolutionary time-steps, distances and orientations. In the upcoming papers of this series (Paper II, Paper III and Paper IV), we will test and calibrate measurements of the star-formation rate (SFR), gas mass and the star-formation efficiency (SFE) using our realistic synthetic observations.
... In this talk we present ShaPo, a cross platform C++ software library accessible from different programming languages (C, Fortran and Python) that integrates algorithms to generate, in serial or in parallel, 2D Voronoi meshes from a set of generators into a domain defined by non-convex multi-connected boundary polygons. ShaPo allows to generate either Constrained Voronoi or Clipped Voronoi tessellations respectively inspired from [2,3] and [4], and provides the full cells, points and edges connectivity. ...
Conference Paper
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Voronoi meshes are involved in numerous applications from astrophysics to biology or computer graphics. Their properties are especially widely used in geophysical flows and computational fluid dynamics. Our main interest in Voronoi meshes related to Reconnection-Based ALE family of methods introduced in [1]. In this talk we present ShaPo, a cross platform C++ software library accessible from different programming languages (C, Fortran and Python) that integrates algorithms to generate, in serial or in parallel, 2D Voronoi meshes from a set of generators into a domain defined by non-convex multi-connected boundary polygons. ShaPo allows to generate either Constrained Voronoi or Clipped Voronoi tessellations respectively inspired from [2, 3] and [4], and provides the full cells, points and edges connectivity. We describe the two different robust Voronoi construction algorithms implemented in ShaPo both based on the dual Delaunay triangulation computation. Proposed optimizations in regard to the original algorithms are also described. As ShaPo can also be used in a data-parallelism context where generators and boundaries are distributed across processors, a quick overview of the parallel algorithm based on an MPI communication layer is presented. Finally we describe the remeshing functionality of ShaPo which enables the generation of a Voronoi mesh in the sub-domain of an existing unstructured mesh.
... The generators that are inside the computational domain will be called internal generators. The set of internal generators are denoted by The VT on can be defined as (see, for example, [44,45,50,47]): ...
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eW present a new adaptive Arbitrary Lagrangian Eulerian (ALE) method. This method is based on the reconnection-based ALE (ReALE) methodology of Refs. [35,34,6]. The main elements in a standard ReALE method are: an explicit Lagrangian phase on an arbitrary polygonal (in 2D) mesh in which the solution and positions of grid nodes are updated; a rezoning phase in which a new grid is defined by changing the connectivity (using Voronoi tessellation) but not the number of cells; and a remapping phase in which the Lagrangian solution is transferred onto the new grid. In the standard ReALE method, the rezoned mesh is smoothed by using one or several steps toward centroidal Voronoi tessellation, but it is not adapted to the solution in any way. In the current paper we present a new adaptive ReALE method, A-ReALE, that is based on the following design principles. First, a monitor function (or error indicator) based on the Hessian of some flow parameter(s) is utilized. Second, an equi-distribution principle for the monitor function is used as a criterion for adapting the mesh. Third, a centroidal Voronoi tessellation is used to adapt the mesh. Fourth, we scale the monitor function to avoid very small and large cells and then smooth it to permit the use of theoretical results related to weighted centroidal Voronoi tessellation. In the A-ReALE method, both number of cells and their locations are allowed to change at the rezone stage on each time step. The number of generators at each time step is chosen to guarantee the required spatial resolution in regions where monitor function reaches its maximum value. We present all details required for implementation of new adaptive A-ReALE method and demonstrate its performance in comparison with standard ReALE method on series of numerical examples.
... The VT on Ω can be defined as (see, for example, [44,45,50,47]): ...
Thesis
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This cumulative thesis presents several novel numerical methods and parallel techniques relating to Smoothed Particle Hydrodynamics (SPH). More specifically, a new multi-resolution parallel framework for SPH, a Lagrangian Inertial Centroidal Voronoi Particle (LICVP) method for dynamic load balancing of particle-based method and a consistent multi-phase SPH formulation for parallel unstructured isotropic mesh generation are proposed.
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We propose a new isotropic remeshing method, based on Centroidal Voronoi Tessellation (CVT). Constructing CVT requires to repeatedly compute Restricted Voronoi Diagram (RVD), defined as the intersection between a 3D Voronoi diagram and an input mesh surface. Existing methods use some approximations of RVD. In this paper, we introduce an efficient algorithm that computes RVD exactly and robustly. As a consequence, we achieve better remeshing quality than approximation-based approaches, without sacrificing efficiency. Our method for RVD computation uses a simple procedure and a kd-tree to quickly identify and compute the intersection of each triangle face with its incident Voronoi cells. Its time complexity is O(mlogn), where n is the number of seed points and m is the number of triangles of the input mesh. Fast convergence of CVT is achieved using a quasi-Newton method, which proved much faster than Lloyd's iteration. Examples are presented to demonstrate the better quality of remeshing results with our method than with the state-of-art approaches.
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We present a 2D mesh improvement technique that optimizes Voronoi diagrams for their use in polygonal finite element computations. Starting from a centroidal Voronoi tessellation of the simulation domain we optimize the mesh by minimizing a carefully designed energy functional that effectively removes the major reason for numerical instabilities---short edges in the Voronoi diagram. We evaluate our method on a 2D Poisson problem and demonstrate that our simple but effective optimization achieves a significant improvement of the stiffness matrix condition number.
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Voro++ is a free software library for the computation of three dimensional Voronoi cells. It is primarily designed for applications in physics and materials science, where the Voronoi tessellation can be a useful tool in the analysis of densely-packed particle systems, such as granular materials or glasses. The software comprises of several C++ classes that can be modified and incorporated into other programs. A command-line utility is also provided that can use most features of the code. Voro++ makes use of a direct cell-by-cell construction, which is particularly suited to handling special boundary conditions and walls. It employs algorithms which are tolerant for numerical precision errors, and it has been successfully employed on very large particle systems.
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A new algorithm for molecular dynamics simulations of biological macromolecules on parallel computers, point-centered domain decomposition, is introduced. The molecular system is divided into clusters that are assigned to individual processors. Each cluster is characterized by a center point and comprises all atoms that are closer to its center point than to the center point of any other cluster. The point-centered domain decomposition algorithm is implemented in the new program OPALpusinga standard message passing library, so that it runs on both shared memory and massively parallel distributed memory computers. Benchmarks show that the program makes efficient use of up to 100 and more processors for realistic systems of a protein in water comprising 10000 to 20000 atoms. 2000 Elsevier Science B.V. All rights reserved. Keywords: Molecular dynamics; Parallel computing; Message passing; Domain decomposition; MPI; OPALp 1. Introduction Molecular dynamics (MD) simulations [1] have be...
Polygon Voronoi Library (Version 1.0)
  • A Sydorchuk
  • Boost
  • Lee