Scalable smoothing strategies for a geometric multigrid method for the immersed boundary equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhalla, Amneet Pal Singh; Knepley, Matthew G.; Adams, Mark F.

2016-12-20

The immersed boundary (IB) method is a widely used approach to simulating fluid-structure interaction (FSI). Although explicit versions of the IB method can suffer from severe time step size restrictions, these methods remain popular because of their simplicity and generality. In prior work (Guy et al., Adv Comput Math, 2015), some of us developed a geometric multigrid preconditioner for a stable semi-implicit IB method under Stokes flow conditions; however, this solver methodology used a Vanka-type smoother that presented limited opportunities for parallelization. This work extends this Stokes-IB solver methodology by developing smoothing techniques that are suitable for parallel implementation. Specifically,more » we demonstrate that an additive version of the Vanka smoother can yield an effective multigrid preconditioner for the Stokes-IB equations, and we introduce an efficient Schur complement-based smoother that is also shown to be effective for the Stokes-IB equations. We investigate the performance of these solvers for a broad range of material stiffnesses, both for Stokes flows and flows at nonzero Reynolds numbers, and for thick and thin structural models. We show here that linear solver performance degrades with increasing Reynolds number and material stiffness, especially for thin interface cases. Nonetheless, the proposed approaches promise to yield effective solution algorithms, especially at lower Reynolds numbers and at modest-to-high elastic stiffnesses.« less

Multigrid solution of the Navier-Stokes equations on highly stretched grids with defect correction

NASA Technical Reports Server (NTRS)

Sockol, Peter M.

1993-01-01

Relaxation-based multigrid solvers for the steady incompressible Navier-Stokes equations are examined to determine their computational speed and robustness. Four relaxation methods with a common discretization have been used as smoothers in a single tailored multigrid procedure. The equations are discretized on a staggered grid with first order upwind used for convection in the relaxation process on all grids and defect correction to second order central on the fine grid introduced once per multigrid cycle. A fixed W(1,1) cycle with full weighting of residuals is used in the FAS multigrid process. The resulting solvers have been applied to three 2D flow problems, over a range of Reynolds numbers, on both uniform and highly stretched grids. In all cases the L(sub 2) norm of the velocity changes is reduced to 10(exp -6) in a few 10's of fine grid sweeps. The results from this study are used to draw conclusions on the strengths and weaknesses of the individual relaxation schemes as well as those of the overall multigrid procedure when used as a solver on highly stretched grids.

Parallel Element Agglomeration Algebraic Multigrid and Upscaling Library

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barker, Andrew T.; Benson, Thomas R.; Lee, Chak Shing

ParELAG is a parallel C++ library for numerical upscaling of finite element discretizations and element-based algebraic multigrid solvers. It provides optimal complexity algorithms to build multilevel hierarchies and solvers that can be used for solving a wide class of partial differential equations (elliptic, hyperbolic, saddle point problems) on general unstructured meshes. Additionally, a novel multilevel solver for saddle point problems with divergence constraint is implemented.

Highly Efficient Parallel Multigrid Solver For Large-Scale Simulation of Grain Growth Using the Structural Phase Field Crystal Model

NASA Astrophysics Data System (ADS)

Guan, Zhen; Pekurovsky, Dmitry; Luce, Jason; Thornton, Katsuyo; Lowengrub, John

The structural phase field crystal (XPFC) model can be used to model grain growth in polycrystalline materials at diffusive time-scales while maintaining atomic scale resolution. However, the governing equation of the XPFC model is an integral-partial-differential-equation (IPDE), which poses challenges in implementation onto high performance computing (HPC) platforms. In collaboration with the XSEDE Extended Collaborative Support Service, we developed a distributed memory HPC solver for the XPFC model, which combines parallel multigrid and P3DFFT. The performance benchmarking on the Stampede supercomputer indicates near linear strong and weak scaling for both multigrid and transfer time between multigrid and FFT modules up to 1024 cores. Scalability of the FFT module begins to decline at 128 cores, but it is sufficient for the type of problem we will be examining. We have demonstrated simulations using 1024 cores, and we expect to achieve 4096 cores and beyond. Ongoing work involves optimization of MPI/OpenMP-based codes for the Intel KNL Many-Core Architecture. This optimizes the code for coming pre-exascale systems, in particular many-core systems such as Stampede 2.0 and Cori 2 at NERSC, without sacrificing efficiency on other general HPC systems.

A multigrid solver for the semiconductor equations

NASA Technical Reports Server (NTRS)

Bachmann, Bernhard

1993-01-01

We present a multigrid solver for the exponential fitting method. The solver is applied to the current continuity equations of semiconductor device simulation in two dimensions. The exponential fitting method is based on a mixed finite element discretization using the lowest-order Raviart-Thomas triangular element. This discretization method yields a good approximation of front layers and guarantees current conservation. The corresponding stiffness matrix is an M-matrix. 'Standard' multigrid solvers, however, cannot be applied to the resulting system, as this is dominated by an unsymmetric part, which is due to the presence of strong convection in part of the domain. To overcome this difficulty, we explore the connection between Raviart-Thomas mixed methods and the nonconforming Crouzeix-Raviart finite element discretization. In this way we can construct nonstandard prolongation and restriction operators using easily computable weighted L(exp 2)-projections based on suitable quadrature rules and the upwind effects of the discretization. The resulting multigrid algorithm shows very good results, even for real-world problems and for locally refined grids.

Performance of Nonlinear Finite-Difference Poisson-Boltzmann Solvers

PubMed Central

Cai, Qin; Hsieh, Meng-Juei; Wang, Jun; Luo, Ray

2014-01-01

We implemented and optimized seven finite-difference solvers for the full nonlinear Poisson-Boltzmann equation in biomolecular applications, including four relaxation methods, one conjugate gradient method, and two inexact Newton methods. The performance of the seven solvers was extensively evaluated with a large number of nucleic acids and proteins. Worth noting is the inexact Newton method in our analysis. We investigated the role of linear solvers in its performance by incorporating the incomplete Cholesky conjugate gradient and the geometric multigrid into its inner linear loop. We tailored and optimized both linear solvers for faster convergence rate. In addition, we explored strategies to optimize the successive over-relaxation method to reduce its convergence failures without too much sacrifice in its convergence rate. Specifically we attempted to adaptively change the relaxation parameter and to utilize the damping strategy from the inexact Newton method to improve the successive over-relaxation method. Our analysis shows that the nonlinear methods accompanied with a functional-assisted strategy, such as the conjugate gradient method and the inexact Newton method, can guarantee convergence in the tested molecules. Especially the inexact Newton method exhibits impressive performance when it is combined with highly efficient linear solvers that are tailored for its special requirement. PMID:24723843

Textbook Multigrid Efficiency for Leading Edge Stagnation

NASA Technical Reports Server (NTRS)

Diskin, Boris; Thomas, James L.; Mineck, Raymond E.

2004-01-01

A multigrid solver is defined as having textbook multigrid efficiency (TME) if the solutions to the governing system of equations are attained in a computational work which is a small (less than 10) multiple of the operation count in evaluating the discrete residuals. TME in solving the incompressible inviscid fluid equations is demonstrated for leading-edge stagnation flows. The contributions of this paper include (1) a special formulation of the boundary conditions near stagnation allowing convergence of the Newton iterations on coarse grids, (2) the boundary relaxation technique to facilitate relaxation and residual restriction near the boundaries, (3) a modified relaxation scheme to prevent initial error amplification, and (4) new general analysis techniques for multigrid solvers. Convergence of algebraic errors below the level of discretization errors is attained by a full multigrid (FMG) solver with one full approximation scheme (FAS) cycle per grid. Asymptotic convergence rates of the FAS cycles for the full system of flow equations are very fast, approaching those for scalar elliptic equations.

Textbook Multigrid Efficiency for Leading Edge Stagnation

NASA Technical Reports Server (NTRS)

Diskin, Boris; Thomas, James L.; Mineck, Raymond E.

2004-01-01

A multigrid solver is defined as having textbook multigrid efficiency (TME) if the solutions to the governing system of equations are attained in a computational work which is a small (less than 10) multiple of the operation count in evaluating the discrete residuals. TME in solving the incompressible inviscid fluid equations is demonstrated for leading- edge stagnation flows. The contributions of this paper include (1) a special formulation of the boundary conditions near stagnation allowing convergence of the Newton iterations on coarse grids, (2) the boundary relaxation technique to facilitate relaxation and residual restriction near the boundaries, (3) a modified relaxation scheme to prevent initial error amplification, and (4) new general analysis techniques for multigrid solvers. Convergence of algebraic errors below the level of discretization errors is attained by a full multigrid (FMG) solver with one full approximation scheme (F.4S) cycle per grid. Asymptotic convergence rates of the F.4S cycles for the full system of flow equations are very fast, approaching those for scalar elliptic equations.

Evaluation of a Multigrid Scheme for the Incompressible Navier-Stokes Equations

NASA Technical Reports Server (NTRS)

Swanson, R. C.

2004-01-01

A fast multigrid solver for the steady, incompressible Navier-Stokes equations is presented. The multigrid solver is based upon a factorizable discrete scheme for the velocity-pressure form of the Navier-Stokes equations. This scheme correctly distinguishes between the advection-diffusion and elliptic parts of the operator, allowing efficient smoothers to be constructed. To evaluate the multigrid algorithm, solutions are computed for flow over a flat plate, parabola, and a Karman-Trefftz airfoil. Both nonlifting and lifting airfoil flows are considered, with a Reynolds number range of 200 to 800. Convergence and accuracy of the algorithm are discussed. Using Gauss-Seidel line relaxation in alternating directions, multigrid convergence behavior approaching that of O(N) methods is achieved. The computational efficiency of the numerical scheme is compared with that of Runge-Kutta and implicit upwind based multigrid methods.

Array-based, parallel hierarchical mesh refinement algorithms for unstructured meshes

DOE PAGES

Ray, Navamita; Grindeanu, Iulian; Zhao, Xinglin; ...

2016-08-18

In this paper, we describe an array-based hierarchical mesh refinement capability through uniform refinement of unstructured meshes for efficient solution of PDE's using finite element methods and multigrid solvers. A multi-degree, multi-dimensional and multi-level framework is designed to generate the nested hierarchies from an initial coarse mesh that can be used for a variety of purposes such as in multigrid solvers/preconditioners, to do solution convergence and verification studies and to improve overall parallel efficiency by decreasing I/O bandwidth requirements (by loading smaller meshes and in memory refinement). We also describe a high-order boundary reconstruction capability that can be used tomore » project the new points after refinement using high-order approximations instead of linear projection in order to minimize and provide more control on geometrical errors introduced by curved boundaries.The capability is developed under the parallel unstructured mesh framework "Mesh Oriented dAtaBase" (MOAB Tautges et al. (2004)). We describe the underlying data structures and algorithms to generate such hierarchies in parallel and present numerical results for computational efficiency and effect on mesh quality. Furthermore, we also present results to demonstrate the applicability of the developed capability to study convergence properties of different point projection schemes for various mesh hierarchies and to a multigrid finite-element solver for elliptic problems.« less

A mass-conservative adaptive FAS multigrid solver for cell-centered finite difference methods on block-structured, locally-cartesian grids

NASA Astrophysics Data System (ADS)

Feng, Wenqiang; Guo, Zhenlin; Lowengrub, John S.; Wise, Steven M.

2018-01-01

We present a mass-conservative full approximation storage (FAS) multigrid solver for cell-centered finite difference methods on block-structured, locally cartesian grids. The algorithm is essentially a standard adaptive FAS (AFAS) scheme, but with a simple modification that comes in the form of a mass-conservative correction to the coarse-level force. This correction is facilitated by the creation of a zombie variable, analogous to a ghost variable, but defined on the coarse grid and lying under the fine grid refinement patch. We show that a number of different types of fine-level ghost cell interpolation strategies could be used in our framework, including low-order linear interpolation. In our approach, the smoother, prolongation, and restriction operations need never be aware of the mass conservation conditions at the coarse-fine interface. To maintain global mass conservation, we need only modify the usual FAS algorithm by correcting the coarse-level force function at points adjacent to the coarse-fine interface. We demonstrate through simulations that the solver converges geometrically, at a rate that is h-independent, and we show the generality of the solver, applying it to several nonlinear, time-dependent, and multi-dimensional problems. In several tests, we show that second-order asymptotic (h → 0) convergence is observed for the discretizations, provided that (1) at least linear interpolation of the ghost variables is employed, and (2) the mass conservation corrections are applied to the coarse-level force term.

On some Aitken-like acceleration of the Schwarz method

NASA Astrophysics Data System (ADS)

Garbey, M.; Tromeur-Dervout, D.

2002-12-01

In this paper we present a family of domain decomposition based on Aitken-like acceleration of the Schwarz method seen as an iterative procedure with a linear rate of convergence. We first present the so-called Aitken-Schwarz procedure for linear differential operators. The solver can be a direct solver when applied to the Helmholtz problem with five-point finite difference scheme on regular grids. We then introduce the Steffensen-Schwarz variant which is an iterative domain decomposition solver that can be applied to linear and nonlinear problems. We show that these solvers have reasonable numerical efficiency compared to classical fast solvers for the Poisson problem or multigrids for more general linear and nonlinear elliptic problems. However, the salient feature of our method is that our algorithm has high tolerance to slow network in the context of distributed parallel computing and is attractive, generally speaking, to use with computer architecture for which performance is limited by the memory bandwidth rather than the flop performance of the CPU. This is nowadays the case for most parallel. computer using the RISC processor architecture. We will illustrate this highly desirable property of our algorithm with large-scale computing experiments.

Spectral analysis and multigrid preconditioners for two-dimensional space-fractional diffusion equations

NASA Astrophysics Data System (ADS)

Moghaderi, Hamid; Dehghan, Mehdi; Donatelli, Marco; Mazza, Mariarosa

2017-12-01

Fractional diffusion equations (FDEs) are a mathematical tool used for describing some special diffusion phenomena arising in many different applications like porous media and computational finance. In this paper, we focus on a two-dimensional space-FDE problem discretized by means of a second order finite difference scheme obtained as combination of the Crank-Nicolson scheme and the so-called weighted and shifted Grünwald formula. By fully exploiting the Toeplitz-like structure of the resulting linear system, we provide a detailed spectral analysis of the coefficient matrix at each time step, both in the case of constant and variable diffusion coefficients. Such a spectral analysis has a very crucial role, since it can be used for designing fast and robust iterative solvers. In particular, we employ the obtained spectral information to define a Galerkin multigrid method based on the classical linear interpolation as grid transfer operator and damped-Jacobi as smoother, and to prove the linear convergence rate of the corresponding two-grid method. The theoretical analysis suggests that the proposed grid transfer operator is strong enough for working also with the V-cycle method and the geometric multigrid. On this basis, we introduce two computationally favourable variants of the proposed multigrid method and we use them as preconditioners for Krylov methods. Several numerical results confirm that the resulting preconditioning strategies still keep a linear convergence rate.

A Parallel Multigrid Solver for Viscous Flows on Anisotropic Structured Grids

NASA Technical Reports Server (NTRS)

Prieto, Manuel; Montero, Ruben S.; Llorente, Ignacio M.; Bushnell, Dennis M. (Technical Monitor)

2001-01-01

This paper presents an efficient parallel multigrid solver for speeding up the computation of a 3-D model that treats the flow of a viscous fluid over a flat plate. The main interest of this simulation lies in exhibiting some basic difficulties that prevent optimal multigrid efficiencies from being achieved. As the computing platform, we have used Coral, a Beowulf-class system based on Intel Pentium processors and equipped with GigaNet cLAN and switched Fast Ethernet networks. Our study not only examines the scalability of the solver but also includes a performance evaluation of Coral where the investigated solver has been used to compare several of its design choices, namely, the interconnection network (GigaNet versus switched Fast-Ethernet) and the node configuration (dual nodes versus single nodes). As a reference, the performance results have been compared with those obtained with the NAS-MG benchmark.

A matrix-free implicit unstructured multigrid finite volume method for simulating structural dynamics and fluid structure interaction

NASA Astrophysics Data System (ADS)

Lv, X.; Zhao, Y.; Huang, X. Y.; Xia, G. H.; Su, X. H.

2007-07-01

A new three-dimensional (3D) matrix-free implicit unstructured multigrid finite volume (FV) solver for structural dynamics is presented in this paper. The solver is first validated using classical 2D and 3D cantilever problems. It is shown that very accurate predictions of the fundamental natural frequencies of the problems can be obtained by the solver with fast convergence rates. This method has been integrated into our existing FV compressible solver [X. Lv, Y. Zhao, et al., An efficient parallel/unstructured-multigrid preconditioned implicit method for simulating 3d unsteady compressible flows with moving objects, Journal of Computational Physics 215(2) (2006) 661-690] based on the immersed membrane method (IMM) [X. Lv, Y. Zhao, et al., as mentioned above]. Results for the interaction between the fluid and an immersed fixed-free cantilever are also presented to demonstrate the potential of this integrated fluid-structure interaction approach.

An O(Nm(sup 2)) Plane Solver for the Compressible Navier-Stokes Equations

NASA Technical Reports Server (NTRS)

Thomas, J. L.; Bonhaus, D. L.; Anderson, W. K.; Rumsey, C. L.; Biedron, R. T.

1999-01-01

A hierarchical multigrid algorithm for efficient steady solutions to the two-dimensional compressible Navier-Stokes equations is developed and demonstrated. The algorithm applies multigrid in two ways: a Full Approximation Scheme (FAS) for a nonlinear residual equation and a Correction Scheme (CS) for a linearized defect correction implicit equation. Multigrid analyses which include the effect of boundary conditions in one direction are used to estimate the convergence rate of the algorithm for a model convection equation. Three alternating-line- implicit algorithms are compared in terms of efficiency. The analyses indicate that full multigrid efficiency is not attained in the general case; the number of cycles to attain convergence is dependent on the mesh density for high-frequency cross-stream variations. However, the dependence is reasonably small and fast convergence is eventually attained for any given frequency with either the FAS or the CS scheme alone. The paper summarizes numerical computations for which convergence has been attained to within truncation error in a few multigrid cycles for both inviscid and viscous ow simulations on highly stretched meshes.

Textbook Multigrid Efficiency for the Steady Euler Equations

NASA Technical Reports Server (NTRS)

Roberts, Thomas W.; Sidilkover, David; Swanson, R. C.

2004-01-01

A fast multigrid solver for the steady incompressible Euler equations is presented. Unlike time-marching schemes, this approach uses relaxation of the steady equations. Application of this method results in a discretization that correctly distinguishes between the advection and elliptic parts of the operator, allowing efficient smoothers to be constructed. Solvers for both unstructured triangular grids and structured quadrilateral grids have been written. Computations for channel flow and flow over a nonlifting airfoil have computed. Using Gauss-Seidel relaxation ordered in the flow direction, textbook multigrid convergence rates of nearly one order-of-magnitude residual reduction per multigrid cycle are achieved, independent of the grid spacing. This approach also may be applied to the compressible Euler equations and the incompressible Navier-Stokes equations.

Pushing Memory Bandwidth Limitations Through Efficient Implementations of Block-Krylov Space Solvers on GPUs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clark, M. A.; Strelchenko, Alexei; Vaquero, Alejandro

Lattice quantum chromodynamics simulations in nuclear physics have benefited from a tremendous number of algorithmic advances such as multigrid and eigenvector deflation. These improve the time to solution but do not alleviate the intrinsic memory-bandwidth constraints of the matrix-vector operation dominating iterative solvers. Batching this operation for multiple vectors and exploiting cache and register blocking can yield a super-linear speed up. Block-Krylov solvers can naturally take advantage of such batched matrix-vector operations, further reducing the iterations to solution by sharing the Krylov space between solves. However, practical implementations typically suffer from the quadratic scaling in the number of vector-vector operations.more » Using the QUDA library, we present an implementation of a block-CG solver on NVIDIA GPUs which reduces the memory-bandwidth complexity of vector-vector operations from quadratic to linear. We present results for the HISQ discretization, showing a 5x speedup compared to highly-optimized independent Krylov solves on NVIDIA's SaturnV cluster.« less

A Comparison of Solver Performance for Complex Gastric Electrophysiology Models

PubMed Central

Sathar, Shameer; Cheng, Leo K.; Trew, Mark L.

2016-01-01

Computational techniques for solving systems of equations arising in gastric electrophysiology have not been studied for efficient solution process. We present a computationally challenging problem of simulating gastric electrophysiology in anatomically realistic stomach geometries with multiple intracellular and extracellular domains. The multiscale nature of the problem and mesh resolution required to capture geometric and functional features necessitates efficient solution methods if the problem is to be tractable. In this study, we investigated and compared several parallel preconditioners for the linear systems arising from tetrahedral discretisation of electrically isotropic and anisotropic problems, with and without stimuli. The results showed that the isotropic problem was computationally less challenging than the anisotropic problem and that the application of extracellular stimuli increased workload considerably. Preconditioning based on block Jacobi and algebraic multigrid solvers were found to have the best overall solution times and least iteration counts, respectively. The algebraic multigrid preconditioner would be expected to perform better on large problems. PMID:26736543

Algebraic multigrid preconditioners for two-phase flow in porous media with phase transitions [Algebraic multigrid preconditioners for multiphase flow in porous media with phase transitions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bui, Quan M.; Wang, Lu; Osei-Kuffuor, Daniel

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear system resulting from the discretization of the partial differential equations modeling the flow. In the case of multiphase multicomponent flow with miscible effect, this is a very challenging task. The problem becomes even more difficult if phase transitions are taken into account. A new approach to handle phase transitions is to formulate the system as a nonlinear complementarity problem (NCP). Unlike in the primary variable switchingmore » technique, the set of primary variables in this approach is fixed even when there is phase transition. Not only does this improve the robustness of the nonlinear solver, it opens up the possibility to use multigrid methods to solve the resulting linear system. The disadvantage of the complementarity approach, however, is that when a phase disappears, the linear system has the structure of a saddle point problem and becomes indefinite, and current algebraic multigrid (AMG) algorithms cannot be applied directly. In this study, we explore the effectiveness of a new multilevel strategy, based on the multigrid reduction technique, to deal with problems of this type. We demonstrate the effectiveness of the method through numerical results for the case of two-phase, two-component flow with phase appearance/disappearance. In conclusion, we also show that the strategy is efficient and scales optimally with problem size.« less

Algebraic multigrid preconditioners for two-phase flow in porous media with phase transitions [Algebraic multigrid preconditioners for multiphase flow in porous media with phase transitions

DOE PAGES

Bui, Quan M.; Wang, Lu; Osei-Kuffuor, Daniel

2018-02-06

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear system resulting from the discretization of the partial differential equations modeling the flow. In the case of multiphase multicomponent flow with miscible effect, this is a very challenging task. The problem becomes even more difficult if phase transitions are taken into account. A new approach to handle phase transitions is to formulate the system as a nonlinear complementarity problem (NCP). Unlike in the primary variable switchingmore » technique, the set of primary variables in this approach is fixed even when there is phase transition. Not only does this improve the robustness of the nonlinear solver, it opens up the possibility to use multigrid methods to solve the resulting linear system. The disadvantage of the complementarity approach, however, is that when a phase disappears, the linear system has the structure of a saddle point problem and becomes indefinite, and current algebraic multigrid (AMG) algorithms cannot be applied directly. In this study, we explore the effectiveness of a new multilevel strategy, based on the multigrid reduction technique, to deal with problems of this type. We demonstrate the effectiveness of the method through numerical results for the case of two-phase, two-component flow with phase appearance/disappearance. In conclusion, we also show that the strategy is efficient and scales optimally with problem size.« less

Directional Agglomeration Multigrid Techniques for High Reynolds Number Viscous Flow Solvers

NASA Technical Reports Server (NTRS)

1998-01-01

A preconditioned directional-implicit agglomeration algorithm is developed for solving two- and three-dimensional viscous flows on highly anisotropic unstructured meshes of mixed-element types. The multigrid smoother consists of a pre-conditioned point- or line-implicit solver which operates on lines constructed in the unstructured mesh using a weighted graph algorithm. Directional coarsening or agglomeration is achieved using a similar weighted graph algorithm. A tight coupling of the line construction and directional agglomeration algorithms enables the use of aggressive coarsening ratios in the multigrid algorithm, which in turn reduces the cost of a multigrid cycle. Convergence rates which are independent of the degree of grid stretching are demonstrated in both two and three dimensions. Further improvement of the three-dimensional convergence rates through a GMRES technique is also demonstrated.

Three-dimensional unstructured grid Euler computations using a fully-implicit, upwind method

NASA Technical Reports Server (NTRS)

Whitaker, David L.

1993-01-01

A method has been developed to solve the Euler equations on a three-dimensional unstructured grid composed of tetrahedra. The method uses an upwind flow solver with a linearized, backward-Euler time integration scheme. Each time step results in a sparse linear system of equations which is solved by an iterative, sparse matrix solver. Local-time stepping, switched evolution relaxation (SER), preconditioning and reuse of the Jacobian are employed to accelerate the convergence rate. Implicit boundary conditions were found to be extremely important for fast convergence. Numerical experiments have shown that convergence rates comparable to that of a multigrid, central-difference scheme are achievable on the same mesh. Results are presented for several grids about an ONERA M6 wing.

Implementation and Optimization of miniGMG - a Compact Geometric Multigrid Benchmark

DOE Office of Scientific and Technical Information (OSTI.GOV)

Williams, Samuel; Kalamkar, Dhiraj; Singh, Amik

2012-12-01

Multigrid methods are widely used to accelerate the convergence of iterative solvers for linear systems used in a number of different application areas. In this report, we describe miniGMG, our compact geometric multigrid benchmark designed to proxy the multigrid solves found in AMR applications. We explore optimization techniques for geometric multigrid on existing and emerging multicore systems including the Opteron-based Cray XE6, Intel Sandy Bridge and Nehalem-based Infiniband clusters, as well as manycore-based architectures including NVIDIA's Fermi and Kepler GPUs and Intel's Knights Corner (KNC) co-processor. This report examines a variety of novel techniques including communication-aggregation, threaded wavefront-based DRAM communication-avoiding,more » dynamic threading decisions, SIMDization, and fusion of operators. We quantify performance through each phase of the V-cycle for both single-node and distributed-memory experiments and provide detailed analysis for each class of optimization. Results show our optimizations yield significant speedups across a variety of subdomain sizes while simultaneously demonstrating the potential of multi- and manycore processors to dramatically accelerate single-node performance. However, our analysis also indicates that improvements in networks and communication will be essential to reap the potential of manycore processors in large-scale multigrid calculations.« less

Vectorized multigrid Poisson solver for the CDC CYBER 205

NASA Technical Reports Server (NTRS)

Barkai, D.; Brandt, M. A.

1984-01-01

The full multigrid (FMG) method is applied to the two dimensional Poisson equation with Dirichlet boundary conditions. This has been chosen as a relatively simple test case for examining the efficiency of fully vectorizing of the multigrid method. Data structure and programming considerations and techniques are discussed, accompanied by performance details.

Algebraic multigrid preconditioners for two-phase flow in porous media with phase transitions

NASA Astrophysics Data System (ADS)

Bui, Quan M.; Wang, Lu; Osei-Kuffuor, Daniel

2018-04-01

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear system resulting from the discretization of the partial differential equations modeling the flow. In the case of multiphase multicomponent flow with miscible effect, this is a very challenging task. The problem becomes even more difficult if phase transitions are taken into account. A new approach to handle phase transitions is to formulate the system as a nonlinear complementarity problem (NCP). Unlike in the primary variable switching technique, the set of primary variables in this approach is fixed even when there is phase transition. Not only does this improve the robustness of the nonlinear solver, it opens up the possibility to use multigrid methods to solve the resulting linear system. The disadvantage of the complementarity approach, however, is that when a phase disappears, the linear system has the structure of a saddle point problem and becomes indefinite, and current algebraic multigrid (AMG) algorithms cannot be applied directly. In this study, we explore the effectiveness of a new multilevel strategy, based on the multigrid reduction technique, to deal with problems of this type. We demonstrate the effectiveness of the method through numerical results for the case of two-phase, two-component flow with phase appearance/disappearance. We also show that the strategy is efficient and scales optimally with problem size.

Higher-order ice-sheet modelling accelerated by multigrid on graphics cards

NASA Astrophysics Data System (ADS)

Brædstrup, Christian; Egholm, David

2013-04-01

Higher-order ice flow modelling is a very computer intensive process owing primarily to the nonlinear influence of the horizontal stress coupling. When applied for simulating long-term glacial landscape evolution, the ice-sheet models must consider very long time series, while both high temporal and spatial resolution is needed to resolve small effects. The use of higher-order and full stokes models have therefore seen very limited usage in this field. However, recent advances in graphics card (GPU) technology for high performance computing have proven extremely efficient in accelerating many large-scale scientific computations. The general purpose GPU (GPGPU) technology is cheap, has a low power consumption and fits into a normal desktop computer. It could therefore provide a powerful tool for many glaciologists working on ice flow models. Our current research focuses on utilising the GPU as a tool in ice-sheet and glacier modelling. To this extent we have implemented the Integrated Second-Order Shallow Ice Approximation (iSOSIA) equations on the device using the finite difference method. To accelerate the computations, the GPU solver uses a non-linear Red-Black Gauss-Seidel iterator coupled with a Full Approximation Scheme (FAS) multigrid setup to further aid convergence. The GPU finite difference implementation provides the inherent parallelization that scales from hundreds to several thousands of cores on newer cards. We demonstrate the efficiency of the GPU multigrid solver using benchmark experiments.

Geometric multigrid for an implicit-time immersed boundary method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guy, Robert D.; Philip, Bobby; Griffith, Boyce E.

2014-10-12

The immersed boundary (IB) method is an approach to fluid-structure interaction that uses Lagrangian variables to describe the deformations and resulting forces of the structure and Eulerian variables to describe the motion and forces of the fluid. Explicit time stepping schemes for the IB method require solvers only for Eulerian equations, for which fast Cartesian grid solution methods are available. Such methods are relatively straightforward to develop and are widely used in practice but often require very small time steps to maintain stability. Implicit-time IB methods permit the stable use of large time steps, but efficient implementations of such methodsmore » require significantly more complex solvers that effectively treat both Lagrangian and Eulerian variables simultaneously. Moreover, several different approaches to solving the coupled Lagrangian-Eulerian equations have been proposed, but a complete understanding of this problem is still emerging. This paper presents a geometric multigrid method for an implicit-time discretization of the IB equations. This multigrid scheme uses a generalization of box relaxation that is shown to handle problems in which the physical stiffness of the structure is very large. Numerical examples are provided to illustrate the effectiveness and efficiency of the algorithms described herein. Finally, these tests show that using multigrid as a preconditioner for a Krylov method yields improvements in both robustness and efficiency as compared to using multigrid as a solver. They also demonstrate that with a time step 100–1000 times larger than that permitted by an explicit IB method, the multigrid-preconditioned implicit IB method is approximately 50–200 times more efficient than the explicit method.« less

Topology-Aware Performance Optimization and Modeling of Adaptive Mesh Refinement Codes for Exascale

DOE PAGES

Chan, Cy P.; Bachan, John D.; Kenny, Joseph P.; ...

2017-01-26

Here, we introduce a topology-aware performance optimization and modeling workflow for AMR simulation that includes two new modeling tools, ProgrAMR and Mota Mapper, which interface with the BoxLib AMR framework and the SSTmacro network simulator. ProgrAMR allows us to generate and model the execution of task dependency graphs from high-level specifications of AMR-based applications, which we demonstrate by analyzing two example AMR-based multigrid solvers with varying degrees of asynchrony. Mota Mapper generates multiobjective, network topology-aware box mappings, which we apply to optimize the data layout for the example multigrid solvers. While the sensitivity of these solvers to layout and executionmore » strategy appears to be modest for balanced scenarios, the impact of better mapping algorithms can be significant when performance is highly constrained by network hop latency. Furthermore, we show that network latency in the multigrid bottom solve is the main contributing factor preventing good scaling on exascale-class machines.« less

Topology-Aware Performance Optimization and Modeling of Adaptive Mesh Refinement Codes for Exascale

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chan, Cy P.; Bachan, John D.; Kenny, Joseph P.

Here, we introduce a topology-aware performance optimization and modeling workflow for AMR simulation that includes two new modeling tools, ProgrAMR and Mota Mapper, which interface with the BoxLib AMR framework and the SSTmacro network simulator. ProgrAMR allows us to generate and model the execution of task dependency graphs from high-level specifications of AMR-based applications, which we demonstrate by analyzing two example AMR-based multigrid solvers with varying degrees of asynchrony. Mota Mapper generates multiobjective, network topology-aware box mappings, which we apply to optimize the data layout for the example multigrid solvers. While the sensitivity of these solvers to layout and executionmore » strategy appears to be modest for balanced scenarios, the impact of better mapping algorithms can be significant when performance is highly constrained by network hop latency. Furthermore, we show that network latency in the multigrid bottom solve is the main contributing factor preventing good scaling on exascale-class machines.« less

A scalable geometric multigrid solver for nonsymmetric elliptic systems with application to variable-density flows

NASA Astrophysics Data System (ADS)

Esmaily, M.; Jofre, L.; Mani, A.; Iaccarino, G.

2018-03-01

A geometric multigrid algorithm is introduced for solving nonsymmetric linear systems resulting from the discretization of the variable density Navier-Stokes equations on nonuniform structured rectilinear grids and high-Reynolds number flows. The restriction operation is defined such that the resulting system on the coarser grids is symmetric, thereby allowing for the use of efficient smoother algorithms. To achieve an optimal rate of convergence, the sequence of interpolation and restriction operations are determined through a dynamic procedure. A parallel partitioning strategy is introduced to minimize communication while maintaining the load balance between all processors. To test the proposed algorithm, we consider two cases: 1) homogeneous isotropic turbulence discretized on uniform grids and 2) turbulent duct flow discretized on stretched grids. Testing the algorithm on systems with up to a billion unknowns shows that the cost varies linearly with the number of unknowns. This O (N) behavior confirms the robustness of the proposed multigrid method regarding ill-conditioning of large systems characteristic of multiscale high-Reynolds number turbulent flows. The robustness of our method to density variations is established by considering cases where density varies sharply in space by a factor of up to 104, showing its applicability to two-phase flow problems. Strong and weak scalability studies are carried out, employing up to 30,000 processors, to examine the parallel performance of our implementation. Excellent scalability of our solver is shown for a granularity as low as 104 to 105 unknowns per processor. At its tested peak throughput, it solves approximately 4 billion unknowns per second employing over 16,000 processors with a parallel efficiency higher than 50%.

αAMG based on Weighted Matching for Systems of Elliptic PDEs Arising From Displacement and Mixed Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

D'Ambra, P.; Vassilevski, P. S.

2014-05-30

Adaptive Algebraic Multigrid (or Multilevel) Methods (αAMG) are introduced to improve robustness and efficiency of classical algebraic multigrid methods in dealing with problems where no a-priori knowledge or assumptions on the near-null kernel of the underlined matrix are available. Recently we proposed an adaptive (bootstrap) AMG method, αAMG, aimed to obtain a composite solver with a desired convergence rate. Each new multigrid component relies on a current (general) smooth vector and exploits pairwise aggregation based on weighted matching in a matrix graph to define a new automatic, general-purpose coarsening process, which we refer to as “the compatible weighted matching”. Inmore » this work, we present results that broaden the applicability of our method to different finite element discretizations of elliptic PDEs. In particular, we consider systems arising from displacement methods in linear elasticity problems and saddle-point systems that appear in the application of the mixed method to Darcy problems.« less

Numerical Analysis of Shear Thickening Fluids for Blast Mitigation Applications

DTIC Science & Technology

2011-12-01

integrate with other types of physics simulation technologies ( ANSYS , 2011). One well-known product offered by ANSYS is the ANSYS CFX . The ANSYS CFD...centered. The ANSYS CFX solver uses coupled algebraic multigrid to achieve its solutions and its engineered scalability ensures a linear increase in CPU...on the user-defined distribution and size. As the numerical analysis focused on the behavior of each individual particle, the ANSYS CFX Rigid Body

The ANTARES Code: New Developments

NASA Astrophysics Data System (ADS)

Blies, P. M.; Kupka, F.; Muthsam, H. J.

2015-10-01

We give an update on the ANTARES code. It was presented by Muthsam et al. (2010) and has since experienced various improvements and has also been extended by new features which we will mention in this paper. Two new features will be presented in a bit more detail: the parallel multigrid solver for the 2D non-linear, generalized Helmholtz equation by Happenhofer (2014) and the capability to use curvilinear grids by Grimm-Strele (2014).

Higher Order Time Integration Schemes for the Unsteady Navier-Stokes Equations on Unstructured Meshes

NASA Technical Reports Server (NTRS)

Jothiprasad, Giridhar; Mavriplis, Dimitri J.; Caughey, David A.; Bushnell, Dennis M. (Technical Monitor)

2002-01-01

The efficiency gains obtained using higher-order implicit Runge-Kutta schemes as compared with the second-order accurate backward difference schemes for the unsteady Navier-Stokes equations are investigated. Three different algorithms for solving the nonlinear system of equations arising at each timestep are presented. The first algorithm (NMG) is a pseudo-time-stepping scheme which employs a non-linear full approximation storage (FAS) agglomeration multigrid method to accelerate convergence. The other two algorithms are based on Inexact Newton's methods. The linear system arising at each Newton step is solved using iterative/Krylov techniques and left preconditioning is used to accelerate convergence of the linear solvers. One of the methods (LMG) uses Richardson's iterative scheme for solving the linear system at each Newton step while the other (PGMRES) uses the Generalized Minimal Residual method. Results demonstrating the relative superiority of these Newton's methods based schemes are presented. Efficiency gains as high as 10 are obtained by combining the higher-order time integration schemes with the more efficient nonlinear solvers.

Advanced Multigrid Solvers for Fluid Dynamics

NASA Technical Reports Server (NTRS)

Brandt, Achi

1999-01-01

The main objective of this project has been to support the development of multigrid techniques in computational fluid dynamics that can achieve "textbook multigrid efficiency" (TME), which is several orders of magnitude faster than current industrial CFD solvers. Toward that goal we have assembled a detailed table which lists every foreseen kind of computational difficulty for achieving it, together with the possible ways for resolving the difficulty, their current state of development, and references. We have developed several codes to test and demonstrate, in the framework of simple model problems, several approaches for overcoming the most important of the listed difficulties that had not been resolved before. In particular, TME has been demonstrated for incompressible flows on one hand, and for near-sonic flows on the other hand. General approaches were advanced for the relaxation of stagnation points and boundary conditions under various situations. Also, new algebraic multigrid techniques were formed for treating unstructured grid formulations. More details on all these are given below.

A stopping criterion for the iterative solution of partial differential equations

NASA Astrophysics Data System (ADS)

Rao, Kaustubh; Malan, Paul; Perot, J. Blair

2018-01-01

A stopping criterion for iterative solution methods is presented that accurately estimates the solution error using low computational overhead. The proposed criterion uses information from prior solution changes to estimate the error. When the solution changes are noisy or stagnating it reverts to a less accurate but more robust, low-cost singular value estimate to approximate the error given the residual. This estimator can also be applied to iterative linear matrix solvers such as Krylov subspace or multigrid methods. Examples of the stopping criterion's ability to accurately estimate the non-linear and linear solution error are provided for a number of different test cases in incompressible fluid dynamics.

Three-Dimensional High-Lift Analysis Using a Parallel Unstructured Multigrid Solver

NASA Technical Reports Server (NTRS)

Mavriplis, Dimitri J.

1998-01-01

A directional implicit unstructured agglomeration multigrid solver is ported to shared and distributed memory massively parallel machines using the explicit domain-decomposition and message-passing approach. Because the algorithm operates on local implicit lines in the unstructured mesh, special care is required in partitioning the problem for parallel computing. A weighted partitioning strategy is described which avoids breaking the implicit lines across processor boundaries, while incurring minimal additional communication overhead. Good scalability is demonstrated on a 128 processor SGI Origin 2000 machine and on a 512 processor CRAY T3E machine for reasonably fine grids. The feasibility of performing large-scale unstructured grid calculations with the parallel multigrid algorithm is demonstrated by computing the flow over a partial-span flap wing high-lift geometry on a highly resolved grid of 13.5 million points in approximately 4 hours of wall clock time on the CRAY T3E.

DL_MG: A Parallel Multigrid Poisson and Poisson-Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution.

PubMed

Womack, James C; Anton, Lucian; Dziedzic, Jacek; Hasnip, Phil J; Probert, Matt I J; Skylaris, Chris-Kriton

2018-03-13

The solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential-a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the Poisson equation, featuring nonhomogeneous dielectric permittivities, ionic concentrations with nonlinear dependencies, and diverse boundary conditions. The analytic solutions generally used to solve the Poisson equation in vacuum (or with homogeneous permittivity) are not applicable in these circumstances, and numerical methods must be used. In this work, we present DL_MG, a flexible, scalable, and accurate solver library, developed specifically to tackle the challenges of solving the Poisson equation in modern large-scale electronic structure calculations on parallel computers. Our solver is based on the multigrid approach and uses an iterative high-order defect correction method to improve the accuracy of solutions. Using two chemically relevant model systems, we tested the accuracy and computational performance of DL_MG when solving the generalized Poisson and Poisson-Boltzmann equations, demonstrating excellent agreement with analytic solutions and efficient scaling to ∼10 9 unknowns and 100s of CPU cores. We also applied DL_MG in actual large-scale electronic structure calculations, using the ONETEP linear-scaling electronic structure package to study a 2615 atom protein-ligand complex with routinely available computational resources. In these calculations, the overall execution time with DL_MG was not significantly greater than the time required for calculations using a conventional FFT-based solver.

On the Performance of an Algebraic MultigridSolver on Multicore Clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baker, A H; Schulz, M; Yang, U M

2010-04-29

Algebraic multigrid (AMG) solvers have proven to be extremely efficient on distributed-memory architectures. However, when executed on modern multicore cluster architectures, we face new challenges that can significantly harm AMG's performance. We discuss our experiences on such an architecture and present a set of techniques that help users to overcome the associated problems, including thread and process pinning and correct memory associations. We have implemented most of the techniques in a MultiCore SUPport library (MCSup), which helps to map OpenMP applications to multicore machines. We present results using both an MPI-only and a hybrid MPI/OpenMP model.

Implementing High-Performance Geometric Multigrid Solver with Naturally Grained Messages

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shan, Hongzhang; Williams, Samuel; Zheng, Yili

2015-10-26

Structured-grid linear solvers often require manually packing and unpacking of communication data to achieve high performance.Orchestrating this process efficiently is challenging, labor-intensive, and potentially error-prone.In this paper, we explore an alternative approach that communicates the data with naturally grained messagesizes without manual packing and unpacking. This approach is the distributed analogue of shared-memory programming, taking advantage of the global addressspace in PGAS languages to provide substantial programming ease. However, its performance may suffer from the large number of small messages. We investigate theruntime support required in the UPC ++ library for this naturally grained version to close the performance gapmore » between the two approaches and attain comparable performance at scale using the High-Performance Geometric Multgrid (HPGMG-FV) benchmark as a driver.« less

An Upwind Multigrid Algorithm for Calculating Flows on Unstructured Grids

NASA Technical Reports Server (NTRS)

Bonhaus, Daryl L.

1993-01-01

An algorithm is described that calculates inviscid, laminar, and turbulent flows on triangular meshes with an upwind discretization. A brief description of the base solver and the multigrid implementation is given, followed by results that consist mainly of convergence rates for inviscid and viscous flows over a NACA four-digit airfoil section. The results show that multigrid does accelerate convergence when the same relaxation parameters that yield good single-grid performance are used; however, larger gains in performance can be realized by doing less work in the relaxation scheme.

A fast direct solver for a class of two-dimensional separable elliptic equations on the sphere

NASA Technical Reports Server (NTRS)

Moorthi, Shrinivas; Higgins, R. Wayne

1992-01-01

An efficient, direct, second-order solver for the discrete solution of two-dimensional separable elliptic equations on the sphere is presented. The method involves a Fourier transformation in longitude and a direct solution of the resulting coupled second-order finite difference equations in latitude. The solver is made efficient by vectorizing over longitudinal wavenumber and by using a vectorized fast Fourier transform routine. It is evaluated using a prescribed solution method and compared with a multigrid solver and the standard direct solver from FISHPAK.

A simplified analysis of the multigrid V-cycle as a fast elliptic solver

NASA Technical Reports Server (NTRS)

Decker, Naomi H.; Taasan, Shlomo

1988-01-01

For special model problems, Fourier analysis gives exact convergence rates for the two-grid multigrid cycle and, for more general problems, provides estimates of the two-grid convergence rates via local mode analysis. A method is presented for obtaining mutigrid convergence rate estimates for cycles involving more than two grids (using essentially the same analysis as for the two-grid cycle). For the simple cast of the V-cycle used as a fast Laplace solver on the unit square, the k-grid convergence rate bounds obtained by this method are sharper than the bounds predicted by the variational theory. Both theoretical justification and experimental evidence are presented.

Multigrid time-accurate integration of Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Arnone, Andrea; Liou, Meng-Sing; Povinelli, Louis A.

1993-01-01

Efficient acceleration techniques typical of explicit steady-state solvers are extended to time-accurate calculations. Stability restrictions are greatly reduced by means of a fully implicit time discretization. A four-stage Runge-Kutta scheme with local time stepping, residual smoothing, and multigridding is used instead of traditional time-expensive factorizations. Some applications to natural and forced unsteady viscous flows show the capability of the procedure.

The block adaptive multigrid method applied to the solution of the Euler equations

NASA Technical Reports Server (NTRS)

Pantelelis, Nikos

1993-01-01

In the present study, a scheme capable of solving very fast and robust complex nonlinear systems of equations is presented. The Block Adaptive Multigrid (BAM) solution method offers multigrid acceleration and adaptive grid refinement based on the prediction of the solution error. The proposed solution method was used with an implicit upwind Euler solver for the solution of complex transonic flows around airfoils. Very fast results were obtained (18-fold acceleration of the solution) using one fourth of the volumes of a global grid with the same solution accuracy for two test cases.

Fast Multilevel Solvers for a Class of Discrete Fourth Order Parabolic Problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zheng, Bin; Chen, Luoping; Hu, Xiaozhe

2016-03-05

In this paper, we study fast iterative solvers for the solution of fourth order parabolic equations discretized by mixed finite element methods. We propose to use consistent mass matrix in the discretization and use lumped mass matrix to construct efficient preconditioners. We provide eigenvalue analysis for the preconditioned system and estimate the convergence rate of the preconditioned GMRes method. Furthermore, we show that these preconditioners only need to be solved inexactly by optimal multigrid algorithms. Our numerical examples indicate that the proposed preconditioners are very efficient and robust with respect to both discretization parameters and diffusion coefficients. We also investigatemore » the performance of multigrid algorithms with either collective smoothers or distributive smoothers when solving the preconditioner systems.« less

Application of an unstructured grid flow solver to planes, trains and automobiles

NASA Technical Reports Server (NTRS)

Spragle, Gregory S.; Smith, Wayne A.; Yadlin, Yoram

1993-01-01

Rampant, an unstructured flow solver developed at Fluent Inc., is used to compute three-dimensional, viscous, turbulent, compressible flow fields within complex solution domains. Rampant is an explicit, finite-volume flow solver capable of computing flow fields using either triangular (2d) or tetrahedral (3d) unstructured grids. Local time stepping, implicit residual smoothing, and multigrid techniques are used to accelerate the convergence of the explicit scheme. The paper describes the Rampant flow solver and presents flow field solutions about a plane, train, and automobile.

Fully anisotropic 3-D EM modelling on a Lebedev grid with a multigrid pre-conditioner

NASA Astrophysics Data System (ADS)

Jaysaval, Piyoosh; Shantsev, Daniil V.; de la Kethulle de Ryhove, Sébastien; Bratteland, Tarjei

2016-12-01

We present a numerical algorithm for 3-D electromagnetic (EM) simulations in conducting media with general electric anisotropy. The algorithm is based on the finite-difference discretization of frequency-domain Maxwell's equations on a Lebedev grid, in which all components of the electric field are collocated but half a spatial step staggered with respect to the magnetic field components, which also are collocated. This leads to a system of linear equations that is solved using a stabilized biconjugate gradient method with a multigrid preconditioner. We validate the accuracy of the numerical results for layered and 3-D tilted transverse isotropic (TTI) earth models representing typical scenarios used in the marine controlled-source EM method. It is then demonstrated that not taking into account the full anisotropy of the conductivity tensor can lead to misleading inversion results. For synthetic data corresponding to a 3-D model with a TTI anticlinal structure, a standard vertical transverse isotropic (VTI) inversion is not able to image a resistor, while for a 3-D model with a TTI synclinal structure it produces a false resistive anomaly. However, if the VTI forward solver used in the inversion is replaced by the proposed TTI solver with perfect knowledge of the strike and dip of the dipping structures, the resulting resistivity images become consistent with the true models.

A coarse-grid projection method for accelerating incompressible flow computations

NASA Astrophysics Data System (ADS)

San, Omer; Staples, Anne

2011-11-01

We present a coarse-grid projection (CGP) algorithm for accelerating incompressible flow computations, which is applicable to methods involving Poisson equations as incompressibility constraints. CGP methodology is a modular approach that facilitates data transfer with simple interpolations and uses black-box solvers for the Poisson and advection-diffusion equations in the flow solver. Here, we investigate a particular CGP method for the vorticity-stream function formulation that uses the full weighting operation for mapping from fine to coarse grids, the third-order Runge-Kutta method for time stepping, and finite differences for the spatial discretization. After solving the Poisson equation on a coarsened grid, bilinear interpolation is used to obtain the fine data for consequent time stepping on the full grid. We compute several benchmark flows: the Taylor-Green vortex, a vortex pair merging, a double shear layer, decaying turbulence and the Taylor-Green vortex on a distorted grid. In all cases we use either FFT-based or V-cycle multigrid linear-cost Poisson solvers. Reducing the number of degrees of freedom of the Poisson solver by powers of two accelerates these computations while, for the first level of coarsening, retaining the same level of accuracy in the fine resolution vorticity field.

Directional Agglomeration Multigrid Techniques for High-Reynolds Number Viscous Flows

NASA Technical Reports Server (NTRS)

Mavriplis, Dimitri J.

1998-01-01

A preconditioned directional-implicit agglomeration algorithm is developed for solving two- and three-dimensional viscous flows on highly anisotropic unstructured meshes of mixed-element types. The multigrid smoother consists of a pre-conditioned point- or line-implicit solver which operates on lines constructed in the unstructured mesh using a weighted graph algorithm. Directional coarsening or agglomeration is achieved using a similar weighted graph algorithm. A tight coupling of the line construction and directional agglomeration algorithms enables the use of aggressive coarsening ratios in the multigrid algorithm, which in turn reduces the cost of a multigrid cycle. Convergence rates which are independent of the degree of grid stretching are demonstrated in both two and three dimensions. Further improvement of the three-dimensional convergence rates through a GMRES technique is also demonstrated.

A new extrapolation cascadic multigrid method for three dimensional elliptic boundary value problems

NASA Astrophysics Data System (ADS)

Pan, Kejia; He, Dongdong; Hu, Hongling; Ren, Zhengyong

2017-09-01

In this paper, we develop a new extrapolation cascadic multigrid method, which makes it possible to solve three dimensional elliptic boundary value problems with over 100 million unknowns on a desktop computer in half a minute. First, by combining Richardson extrapolation and quadratic finite element (FE) interpolation for the numerical solutions on two-level of grids (current and previous grids), we provide a quite good initial guess for the iterative solution on the next finer grid, which is a third-order approximation to the FE solution. And the resulting large linear system from the FE discretization is then solved by the Jacobi-preconditioned conjugate gradient (JCG) method with the obtained initial guess. Additionally, instead of performing a fixed number of iterations as used in existing cascadic multigrid methods, a relative residual tolerance is introduced in the JCG solver, which enables us to obtain conveniently the numerical solution with the desired accuracy. Moreover, a simple method based on the midpoint extrapolation formula is proposed to achieve higher-order accuracy on the finest grid cheaply and directly. Test results from four examples including two smooth problems with both constant and variable coefficients, an H3-regular problem as well as an anisotropic problem are reported to show that the proposed method has much better efficiency compared to the classical V-cycle and W-cycle multigrid methods. Finally, we present the reason why our method is highly efficient for solving these elliptic problems.

Reducing Communication in Algebraic Multigrid Using Additive Variants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vassilevski, Panayot S.; Yang, Ulrike Meier

Algebraic multigrid (AMG) has proven to be an effective scalable solver on many high performance computers. However, its increasing communication complexity on coarser levels has shown to seriously impact its performance on computers with high communication cost. Moreover, additive AMG variants provide not only increased parallelism as well as decreased numbers of messages per cycle but also generally exhibit slower convergence. Here we present various new additive variants with convergence rates that are significantly improved compared to the classical additive algebraic multigrid method and investigate their potential for decreased communication, and improved communication-computation overlap, features that are essential for goodmore » performance on future exascale architectures.« less

Reducing Communication in Algebraic Multigrid Using Additive Variants

DOE PAGES

Vassilevski, Panayot S.; Yang, Ulrike Meier

2014-02-12

Algebraic multigrid (AMG) has proven to be an effective scalable solver on many high performance computers. However, its increasing communication complexity on coarser levels has shown to seriously impact its performance on computers with high communication cost. Moreover, additive AMG variants provide not only increased parallelism as well as decreased numbers of messages per cycle but also generally exhibit slower convergence. Here we present various new additive variants with convergence rates that are significantly improved compared to the classical additive algebraic multigrid method and investigate their potential for decreased communication, and improved communication-computation overlap, features that are essential for goodmore » performance on future exascale architectures.« less

Array-based Hierarchical Mesh Generation in Parallel

DOE PAGES

Ray, Navamita; Grindeanu, Iulian; Zhao, Xinglin; ...

2015-11-03

In this paper, we describe an array-based hierarchical mesh generation capability through uniform refinement of unstructured meshes for efficient solution of PDE's using finite element methods and multigrid solvers. A multi-degree, multi-dimensional and multi-level framework is designed to generate the nested hierarchies from an initial mesh that can be used for a number of purposes such as multi-level methods to generating large meshes. The capability is developed under the parallel mesh framework “Mesh Oriented dAtaBase” a.k.a MOAB. We describe the underlying data structures and algorithms to generate such hierarchies and present numerical results for computational efficiency and mesh quality. Inmore » conclusion, we also present results to demonstrate the applicability of the developed capability to a multigrid finite-element solver.« less

Final Report - Subcontract B623760

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bank, R.

2017-11-17

During my visit to LLNL during July 17{27, 2017, I worked on linear system solvers. The two level hierarchical solver that initiated our study was developed to solve linear systems arising from hp adaptive finite element calculations, and is implemented in the PLTMG software package, version 12. This preconditioner typically requires 3-20% of the space used by the stiffness matrix for higher order elements. It has multigrid like convergence rates for a wide variety of PDEs (self-adjoint positive de nite elliptic equations, convection dominated convection-diffusion equations, and highly indefinite Helmholtz equations, among others). The convergence rate is not independent ofmore » the polynomial degree p as p ! 1, but but remains strong for p 9, which is the highest polynomial degree allowed in PLTMG, due to limitations of the numerical quadrature rules implemented in the software package. A more complete description of the method and some numerical experiments illustrating its effectiveness appear in. Like traditional geometric multilevel methods, this scheme relies on knowledge of the underlying finite element space in order to construct the smoother and the coarse grid correction.« less

Comparison of an algebraic multigrid algorithm to two iterative solvers used for modeling ground water flow and transport

USGS Publications Warehouse

Detwiler, R.L.; Mehl, S.; Rajaram, H.; Cheung, W.W.

2002-01-01

Numerical solution of large-scale ground water flow and transport problems is often constrained by the convergence behavior of the iterative solvers used to solve the resulting systems of equations. We demonstrate the ability of an algebraic multigrid algorithm (AMG) to efficiently solve the large, sparse systems of equations that result from computational models of ground water flow and transport in large and complex domains. Unlike geometric multigrid methods, this algorithm is applicable to problems in complex flow geometries, such as those encountered in pore-scale modeling of two-phase flow and transport. We integrated AMG into MODFLOW 2000 to compare two- and three-dimensional flow simulations using AMG to simulations using PCG2, a preconditioned conjugate gradient solver that uses the modified incomplete Cholesky preconditioner and is included with MODFLOW 2000. CPU times required for convergence with AMG were up to 140 times faster than those for PCG2. The cost of this increased speed was up to a nine-fold increase in required random access memory (RAM) for the three-dimensional problems and up to a four-fold increase in required RAM for the two-dimensional problems. We also compared two-dimensional numerical simulations of steady-state transport using AMG and the generalized minimum residual method with an incomplete LU-decomposition preconditioner. For these transport simulations, AMG yielded increased speeds of up to 17 times with only a 20% increase in required RAM. The ability of AMG to solve flow and transport problems in large, complex flow systems and its ready availability make it an ideal solver for use in both field-scale and pore-scale modeling.

Higher-order differencing method with a multigrid approach for the solution of the incompressible flow equations at high Reynolds numbers

NASA Astrophysics Data System (ADS)

Tzanos, Constantine P.

1992-10-01

A higher-order differencing scheme (Tzanos, 1990) is used in conjunction with a multigrid approach to obtain accurate solutions of the Navier-Stokes convection-diffusion equations at high Re numbers. Flow in a square cavity with a moving lid is used as a test problem. a multigrid approach based on the additive correction method (Settari and Aziz) and an iterative incomplete lower and upper solver demonstrated good performance for the whole range of Re number under consideration (from 1000 to 10,000) and for both uniform and nonuniform grids. It is concluded that the combination of the higher-order differencing scheme with a multigrid approach proved to be an effective technique for giving accurate solutions of the Navier-Stokes equations at high Re numbers.

Multigrid solutions to quasi-elliptic schemes

NASA Technical Reports Server (NTRS)

Brandt, A.; Taasan, S.

1985-01-01

Quasi-elliptic schemes arise from central differencing or finite element discretization of elliptic systems with odd order derivatives on non-staggered grids. They are somewhat unstable and less accurate then corresponding staggered-grid schemes. When usual multigrid solvers are applied to them, the asymptotic algebraic convergence is necessarily slow. Nevertheless, it is shown by mode analyses and numerical experiments that the usual FMG algorithm is very efficient in solving quasi-elliptic equations to the level of truncation errors. Also, a new type of multigrid algorithm is presented, mode analyzed and tested, for which even the asymptotic algebraic convergence is fast. The essence of that algorithm is applicable to other kinds of problems, including highly indefinite ones.

Multigrid solutions to quasi-elliptic schemes

NASA Technical Reports Server (NTRS)

Brandt, A.; Taasan, S.

1985-01-01

Quasi-elliptic schemes arise from central differencing or finite element discretization of elliptic systems with odd order derivatives on non-staggered grids. They are somewhat unstable and less accurate than corresponding staggered-grid schemes. When usual multigrid solvers are applied to them, the asymptotic algebraic convergence is necessarily slow. Nevertheless, it is shown by mode analyses and numerical experiments that the usual FMG algorithm is very efficient in solving quasi-elliptic equations to the level of truncation errors. Also, a new type of multigrid algorithm is presented, mode analyzed and tested, for which even the asymptotic algebraic convergence is fast. The essence of that algorithm is applicable to other kinds of problems, including highly indefinite ones.

Performance Models for the Spike Banded Linear System Solver

DOE PAGES

Manguoglu, Murat; Saied, Faisal; Sameh, Ahmed; ...

2011-01-01

With availability of large-scale parallel platforms comprised of tens-of-thousands of processors and beyond, there is significant impetus for the development of scalable parallel sparse linear system solvers and preconditioners. An integral part of this design process is the development of performance models capable of predicting performance and providing accurate cost models for the solvers and preconditioners. There has been some work in the past on characterizing performance of the iterative solvers themselves. In this paper, we investigate the problem of characterizing performance and scalability of banded preconditioners. Recent work has demonstrated the superior convergence properties and robustness of banded preconditioners,more » compared to state-of-the-art ILU family of preconditioners as well as algebraic multigrid preconditioners. Furthermore, when used in conjunction with efficient banded solvers, banded preconditioners are capable of significantly faster time-to-solution. Our banded solver, the Truncated Spike algorithm is specifically designed for parallel performance and tolerance to deep memory hierarchies. Its regular structure is also highly amenable to accurate performance characterization. Using these characteristics, we derive the following results in this paper: (i) we develop parallel formulations of the Truncated Spike solver, (ii) we develop a highly accurate pseudo-analytical parallel performance model for our solver, (iii) we show excellent predication capabilities of our model – based on which we argue the high scalability of our solver. Our pseudo-analytical performance model is based on analytical performance characterization of each phase of our solver. These analytical models are then parameterized using actual runtime information on target platforms. An important consequence of our performance models is that they reveal underlying performance bottlenecks in both serial and parallel formulations. All of our results are validated on diverse heterogeneous multiclusters – platforms for which performance prediction is particularly challenging. Finally, we provide predict the scalability of the Spike algorithm using up to 65,536 cores with our model. In this paper we extend the results presented in the Ninth International Symposium on Parallel and Distributed Computing.« less

Comparative Performance Analysis of Coarse Solvers for Algebraic Multigrid on Multicore and Manycore Architectures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Druinsky, Alex; Ghysels, Pieter; Li, Xiaoye S.

In this paper, we study the performance of a two-level algebraic-multigrid algorithm, with a focus on the impact of the coarse-grid solver on performance. We consider two algorithms for solving the coarse-space systems: the preconditioned conjugate gradient method and a new robust HSS-embedded low-rank sparse-factorization algorithm. Our test data comes from the SPE Comparative Solution Project for oil-reservoir simulations. We contrast the performance of our code on one 12-core socket of a Cray XC30 machine with performance on a 60-core Intel Xeon Phi coprocessor. To obtain top performance, we optimized the code to take full advantage of fine-grained parallelism andmore » made it thread-friendly for high thread count. We also developed a bounds-and-bottlenecks performance model of the solver which we used to guide us through the optimization effort, and also carried out performance tuning in the solver’s large parameter space. Finally, as a result, significant speedups were obtained on both machines.« less

Parallel Solver for H(div) Problems Using Hybridization and AMG

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Chak S.; Vassilevski, Panayot S.

2016-01-15

In this paper, a scalable parallel solver is proposed for H(div) problems discretized by arbitrary order finite elements on general unstructured meshes. The solver is based on hybridization and algebraic multigrid (AMG). Unlike some previously studied H(div) solvers, the hybridization solver does not require discrete curl and gradient operators as additional input from the user. Instead, only some element information is needed in the construction of the solver. The hybridization results in a H1-equivalent symmetric positive definite system, which is then rescaled and solved by AMG solvers designed for H1 problems. Weak and strong scaling of the method are examinedmore » through several numerical tests. Our numerical results show that the proposed solver provides a promising alternative to ADS, a state-of-the-art solver [12], for H(div) problems. In fact, it outperforms ADS for higher order elements.« less

Parallel performance investigations of an unstructured mesh Navier-Stokes solver

NASA Technical Reports Server (NTRS)

Mavriplis, Dimitri J.

2000-01-01

A Reynolds-averaged Navier-Stokes solver based on unstructured mesh techniques for analysis of high-lift configurations is described. The method makes use of an agglomeration multigrid solver for convergence acceleration. Implicit line-smoothing is employed to relieve the stiffness associated with highly stretched meshes. A GMRES technique is also implemented to speed convergence at the expense of additional memory usage. The solver is cache efficient and fully vectorizable, and is parallelized using a two-level hybrid MPI-OpenMP implementation suitable for shared and/or distributed memory architectures, as well as clusters of shared memory machines. Convergence and scalability results are illustrated for various high-lift cases.

Application of fast Fourier transforms to the direct solution of a class of two-dimensional separable elliptic equations on the sphere

NASA Technical Reports Server (NTRS)

Moorthi, Shrinivas; Higgins, R. W.

1993-01-01

An efficient, direct, second-order solver for the discrete solution of a class of two-dimensional separable elliptic equations on the sphere (which generally arise in implicit and semi-implicit atmospheric models) is presented. The method involves a Fourier transformation in longitude and a direct solution of the resulting coupled second-order finite-difference equations in latitude. The solver is made efficient by vectorizing over longitudinal wave-number and by using a vectorized fast Fourier transform routine. It is evaluated using a prescribed solution method and compared with a multigrid solver and the standard direct solver from FISHPAK.

Solving Upwind-Biased Discretizations. 2; Multigrid Solver Using Semicoarsening

NASA Technical Reports Server (NTRS)

Diskin, Boris

1999-01-01

This paper studies a novel multigrid approach to the solution for a second order upwind biased discretization of the convection equation in two dimensions. This approach is based on semi-coarsening and well balanced explicit correction terms added to coarse-grid operators to maintain on coarse-grid the same cross-characteristic interaction as on the target (fine) grid. Colored relaxation schemes are used on all the levels allowing a very efficient parallel implementation. The results of the numerical tests can be summarized as follows: 1) The residual asymptotic convergence rate of the proposed V(0, 2) multigrid cycle is about 3 per cycle. This convergence rate far surpasses the theoretical limit (4/3) predicted for standard multigrid algorithms using full coarsening. The reported efficiency does not deteriorate with increasing the cycle, depth (number of levels) and/or refining the target-grid mesh spacing. 2) The full multi-grid algorithm (FMG) with two V(0, 2) cycles on the target grid and just one V(0, 2) cycle on all the coarse grids always provides an approximate solution with the algebraic error less than the discretization error. Estimates of the total work in the FMG algorithm are ranged between 18 and 30 minimal work units (depending on the target (discretizatioin). Thus, the overall efficiency of the FMG solver closely approaches (if does not achieve) the goal of the textbook multigrid efficiency. 3) A novel approach to deriving a discrete solution approximating the true continuous solution with a relative accuracy given in advance is developed. An adaptive multigrid algorithm (AMA) using comparison of the solutions on two successive target grids to estimate the accuracy of the current target-grid solution is defined. A desired relative accuracy is accepted as an input parameter. The final target grid on which this accuracy can be achieved is chosen automatically in the solution process. the actual relative accuracy of the discrete solution approximation obtained by AMA is always better than the required accuracy; the computational complexity of the AMA algorithm is (nearly) optimal (comparable with the complexity of the FMG algorithm applied to solve the problem on the optimally spaced target grid).

New multigrid approach for three-dimensional unstructured, adaptive grids

NASA Technical Reports Server (NTRS)

Parthasarathy, Vijayan; Kallinderis, Y.

1994-01-01

A new multigrid method with adaptive unstructured grids is presented. The three-dimensional Euler equations are solved on tetrahedral grids that are adaptively refined or coarsened locally. The multigrid method is employed to propagate the fine grid corrections more rapidly by redistributing the changes-in-time of the solution from the fine grid to the coarser grids to accelerate convergence. A new approach is employed that uses the parent cells of the fine grid cells in an adapted mesh to generate successively coaser levels of multigrid. This obviates the need for the generation of a sequence of independent, nonoverlapping grids as well as the relatively complicated operations that need to be performed to interpolate the solution and the residuals between the independent grids. The solver is an explicit, vertex-based, finite volume scheme that employs edge-based data structures and operations. Spatial discretization is of central-differencing type combined with a special upwind-like smoothing operators. Application cases include adaptive solutions obtained with multigrid acceleration for supersonic and subsonic flow over a bump in a channel, as well as transonic flow around the ONERA M6 wing. Two levels of multigrid resulted in reduction in the number of iterations by a factor of 5.

Development of an explicit multiblock/multigrid flow solver for viscous flows in complex geometries

NASA Technical Reports Server (NTRS)

Steinthorsson, E.; Liou, M. S.; Povinelli, L. A.

1993-01-01

A new computer program is being developed for doing accurate simulations of compressible viscous flows in complex geometries. The code employs the full compressible Navier-Stokes equations. The eddy viscosity model of Baldwin and Lomax is used to model the effects of turbulence on the flow. A cell centered finite volume discretization is used for all terms in the governing equations. The Advection Upwind Splitting Method (AUSM) is used to compute the inviscid fluxes, while central differencing is used for the diffusive fluxes. A four-stage Runge-Kutta time integration scheme is used to march solutions to steady state, while convergence is enhanced by a multigrid scheme, local time-stepping, and implicit residual smoothing. To enable simulations of flows in complex geometries, the code uses composite structured grid systems where all grid lines are continuous at block boundaries (multiblock grids). Example results shown are a flow in a linear cascade, a flow around a circular pin extending between the main walls in a high aspect-ratio channel, and a flow of air in a radial turbine coolant passage.

Development of an explicit multiblock/multigrid flow solver for viscous flows in complex geometries

NASA Technical Reports Server (NTRS)

Steinthorsson, E.; Liou, M.-S.; Povinelli, L. A.

1993-01-01

A new computer program is being developed for doing accurate simulations of compressible viscous flows in complex geometries. The code employs the full compressible Navier-Stokes equations. The eddy viscosity model of Baldwin and Lomax is used to model the effects of turbulence on the flow. A cell centered finite volume discretization is used for all terms in the governing equations. The Advection Upwind Splitting Method (AUSM) is used to compute the inviscid fluxes, while central differencing is used for the diffusive fluxes. A four-stage Runge-Kutta time integration scheme is used to march solutions to steady state, while convergence is enhanced by a multigrid scheme, local time-stepping and implicit residual smoothing. To enable simulations of flows in complex geometries, the code uses composite structured grid systems where all grid lines are continuous at block boundaries (multiblock grids). Example results are shown a flow in a linear cascade, a flow around a circular pin extending between the main walls in a high aspect-ratio channel, and a flow of air in a radial turbine coolant passage.

A semi-Lagrangian approach to the shallow water equation

NASA Technical Reports Server (NTRS)

Bates, J. R.; Mccormick, Stephen F.; Ruge, John; Sholl, David S.; Yavneh, Irad

1993-01-01

We present a formulation of the shallow water equations that emphasizes the conservation of potential vorticity. A locally conservative semi-Lagrangian time-stepping scheme is developed, which leads to a system of three coupled PDE's to be solved at each time level. We describe a smoothing analysis of these equations, on which an effective multigrid solver is constructed. Some results from applying this solver to the static version of these equations are presented.

An overlapped grid method for multigrid, finite volume/difference flow solvers: MaGGiE

NASA Technical Reports Server (NTRS)

Baysal, Oktay; Lessard, Victor R.

1990-01-01

The objective is to develop a domain decomposition method via overlapping/embedding the component grids, which is to be used by upwind, multi-grid, finite volume solution algorithms. A computer code, given the name MaGGiE (Multi-Geometry Grid Embedder) is developed to meet this objective. MaGGiE takes independently generated component grids as input, and automatically constructs the composite mesh and interpolation data, which can be used by the finite volume solution methods with or without multigrid convergence acceleration. Six demonstrative examples showing various aspects of the overlap technique are presented and discussed. These cases are used for developing the procedure for overlapping grids of different topologies, and to evaluate the grid connection and interpolation data for finite volume calculations on a composite mesh. Time fluxes are transferred between mesh interfaces using a trilinear interpolation procedure. Conservation losses are minimal at the interfaces using this method. The multi-grid solution algorithm, using the coaser grid connections, improves the convergence time history as compared to the solution on composite mesh without multi-gridding.

Parameter investigation with line-implicit lower-upper symmetric Gauss-Seidel on 3D stretched grids

NASA Astrophysics Data System (ADS)

Otero, Evelyn; Eliasson, Peter

2015-03-01

An implicit lower-upper symmetric Gauss-Seidel (LU-SGS) solver has been implemented as a multigrid smoother combined with a line-implicit method as an acceleration technique for Reynolds-averaged Navier-Stokes (RANS) simulation on stretched meshes. The computational fluid dynamics code concerned is Edge, an edge-based finite volume Navier-Stokes flow solver for structured and unstructured grids. The paper focuses on the investigation of the parameters related to our novel line-implicit LU-SGS solver for convergence acceleration on 3D RANS meshes. The LU-SGS parameters are defined as the Courant-Friedrichs-Lewy number, the left-hand side dissipation, and the convergence of iterative solution of the linear problem arising from the linearisation of the implicit scheme. The influence of these parameters on the overall convergence is presented and default values are defined for maximum convergence acceleration. The optimised settings are applied to 3D RANS computations for comparison with explicit and line-implicit Runge-Kutta smoothing. For most of the cases, a computing time acceleration of the order of 2 is found depending on the mesh type, namely the boundary layer and the magnitude of residual reduction.

Function-Space-Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT.

PubMed

Ringe, Stefan; Oberhofer, Harald; Hille, Christoph; Matera, Sebastian; Reuter, Karsten

2016-08-09

The size-modified Poisson-Boltzmann (MPB) equation is an efficient implicit solvation model which also captures electrolytic solvent effects. It combines an account of the dielectric solvent response with a mean-field description of solvated finite-sized ions. We present a general solution scheme for the MPB equation based on a fast function-space-oriented Newton method and a Green's function preconditioned iterative linear solver. In contrast to popular multigrid solvers, this approach allows us to fully exploit specialized integration grids and optimized integration schemes. We describe a corresponding numerically efficient implementation for the full-potential density-functional theory (DFT) code FHI-aims. We show that together with an additional Stern layer correction the DFT+MPB approach can describe the mean activity coefficient of a KCl aqueous solution over a wide range of concentrations. The high sensitivity of the calculated activity coefficient on the employed ionic parameters thereby suggests to use extensively tabulated experimental activity coefficients of salt solutions for a systematic parametrization protocol.

StagBL : A Scalable, Portable, High-Performance Discretization and Solver Layer for Geodynamic Simulation

NASA Astrophysics Data System (ADS)

Sanan, P.; Tackley, P. J.; Gerya, T.; Kaus, B. J. P.; May, D.

2017-12-01

StagBL is an open-source parallel solver and discretization library for geodynamic simulation,encapsulating and optimizing operations essential to staggered-grid finite volume Stokes flow solvers.It provides a parallel staggered-grid abstraction with a high-level interface in C and Fortran.On top of this abstraction, tools are available to define boundary conditions and interact with particle systems.Tools and examples to efficiently solve Stokes systems defined on the grid are provided in small (direct solver), medium (simple preconditioners), and large (block factorization and multigrid) model regimes.By working directly with leading application codes (StagYY, I3ELVIS, and LaMEM) and providing an API and examples to integrate with others, StagBL aims to become a community tool supplying scalable, portable, reproducible performance toward novel science in regional- and planet-scale geodynamics and planetary science.By implementing kernels used by many research groups beneath a uniform abstraction layer, the library will enable optimization for modern hardware, thus reducing community barriers to large- or extreme-scale parallel simulation on modern architectures. In particular, the library will include CPU-, Manycore-, and GPU-optimized variants of matrix-free operators and multigrid components.The common layer provides a framework upon which to introduce innovative new tools.StagBL will leverage p4est to provide distributed adaptive meshes, and incorporate a multigrid convergence analysis tool.These options, in addition to a wealth of solver options provided by an interface to PETSc, will make the most modern solution techniques available from a common interface. StagBL in turn provides a PETSc interface, DMStag, to its central staggered grid abstraction.We present public version 0.5 of StagBL, including preliminary integration with application codes and demonstrations with its own demonstration application, StagBLDemo. Central to StagBL is the notion of an uninterrupted pipeline from toy/teaching codes to high-performance, extreme-scale solves. StagBLDemo replicates the functionality of an advanced MATLAB-style regional geodynamics code, thus providing users with a concrete procedure to exceed the performance and scalability limitations of smaller-scale tools.

Application of an Upwind High Resolution Finite-Differencing Scheme and Multigrid Method in Steady-State Incompressible Flow Simulations

NASA Technical Reports Server (NTRS)

Yang, Cheng I.; Guo, Yan-Hu; Liu, C.- H.

1996-01-01

The analysis and design of a submarine propulsor requires the ability to predict the characteristics of both laminar and turbulent flows to a higher degree of accuracy. This report presents results of certain benchmark computations based on an upwind, high-resolution, finite-differencing Navier-Stokes solver. The purpose of the computations is to evaluate the ability, the accuracy and the performance of the solver in the simulation of detailed features of viscous flows. Features of interest include flow separation and reattachment, surface pressure and skin friction distributions. Those features are particularly relevant to the propulsor analysis. Test cases with a wide range of Reynolds numbers are selected; therefore, the effects of the convective and the diffusive terms of the solver can be evaluated separately. Test cases include flows over bluff bodies, such as circular cylinders and spheres, at various low Reynolds numbers, flows over a flat plate with and without turbulence effects, and turbulent flows over axisymmetric bodies with and without propulsor effects. Finally, to enhance the iterative solution procedure, a full approximation scheme V-cycle multigrid method is implemented. Preliminary results indicate that the method significantly reduces the computational effort.

Techniques and Software for Monolithic Preconditioning of Moderately-sized Geodynamic Stokes Flow Problems

NASA Astrophysics Data System (ADS)

Sanan, Patrick; May, Dave A.; Schenk, Olaf; Bollhöffer, Matthias

2017-04-01

Geodynamics simulations typically involve the repeated solution of saddle-point systems arising from the Stokes equations. These computations often dominate the time to solution. Direct solvers are known for their robustness and ``black box'' properties, yet exhibit superlinear memory requirements and time to solution. More complex multilevel-preconditioned iterative solvers have been very successful for large problems, yet their use can require more effort from the practitioner in terms of setting up a solver and choosing its parameters. We champion an intermediate approach, based on leveraging the power of modern incomplete factorization techniques for indefinite symmetric matrices. These provide an interesting alternative in situations in between the regimes where direct solvers are an obvious choice and those where complex, scalable, iterative solvers are an obvious choice. That is, much like their relatives for definite systems, ILU/ICC-preconditioned Krylov methods and ILU/ICC-smoothed multigrid methods, the approaches demonstrated here provide a useful addition to the solver toolkit. We present results with a simple, PETSc-based, open-source Q2-Q1 (Taylor-Hood) finite element discretization, in 2 and 3 dimensions, with the Stokes and Lamé (linear elasticity) saddle point systems. Attention is paid to cases in which full-operator incomplete factorization gives an improvement in time to solution over direct solution methods (which may not even be feasible due to memory limitations), without the complication of more complex (or at least, less-automatic) preconditioners or smoothers. As an important factor in the relevance of these tools is their availability in portable software, we also describe open-source PETSc interfaces to the factorization routines.

FAS multigrid calculations of three dimensional flow using non-staggered grids

NASA Technical Reports Server (NTRS)

Matovic, D.; Pollard, A.; Becker, H. A.; Grandmaison, E. W.

1993-01-01

Grid staggering is a well known remedy for the problem of velocity/pressure coupling in incompressible flow calculations. Numerous inconveniences occur, however, when staggered grids are implemented, particularly when a general-purpose code, capable of handling irregular three-dimensional domains, is sought. In several non-staggered grid numerical procedures proposed in the literature, the velocity/pressure coupling is achieved by either pressure or velocity (momentum) averaging. This approach is not convenient for simultaneous (block) solvers that are preferred when using multigrid methods. A new method is introduced in this paper that is based upon non-staggered grid formulation with a set of virtual cell face velocities used for pressure/velocity coupling. Instead of pressure or velocity averaging, a momentum balance at the cell face is used as a link between the momentum and mass balance constraints. The numerical stencil is limited to 9 nodes (in 2D) or 27 nodes (in 3D), both during the smoothing and inter-grid transfer, which is a convenient feature when a block point solver is applied. The results for a lid-driven cavity and a cube in a lid-driven cavity are presented and compared to staggered grid calculations using the same multigrid algorithm. The method is shown to be stable and produce a smooth (wiggle-free) pressure field.

Transonic Drag Prediction Using an Unstructured Multigrid Solver

NASA Technical Reports Server (NTRS)

Mavriplis, D. J.; Levy, David W.

2001-01-01

This paper summarizes the results obtained with the NSU-3D unstructured multigrid solver for the AIAA Drag Prediction Workshop held in Anaheim, CA, June 2001. The test case for the workshop consists of a wing-body configuration at transonic flow conditions. Flow analyses for a complete test matrix of lift coefficient values and Mach numbers at a constant Reynolds number are performed, thus producing a set of drag polars and drag rise curves which are compared with experimental data. Results were obtained independently by both authors using an identical baseline grid and different refined grids. Most cases were run in parallel on commodity cluster-type machines while the largest cases were run on an SGI Origin machine using 128 processors. The objective of this paper is to study the accuracy of the subject unstructured grid solver for predicting drag in the transonic cruise regime, to assess the efficiency of the method in terms of convergence, cpu time, and memory, and to determine the effects of grid resolution on this predictive ability and its computational efficiency. A good predictive ability is demonstrated over a wide range of conditions, although accuracy was found to degrade for cases at higher Mach numbers and lift values where increasing amounts of flow separation occur. The ability to rapidly compute large numbers of cases at varying flow conditions using an unstructured solver on inexpensive clusters of commodity computers is also demonstrated.

A matrix dependent/algebraic multigrid approach for extruded meshes with applications to ice sheet modeling

DOE PAGES

Tuminaro, Raymond S.; Perego, Mauro; Tezaur, Irina Kalashnikova; ...

2016-10-06

A multigrid method is proposed that combines ideas from matrix dependent multigrid for structured grids and algebraic multigrid for unstructured grids. It targets problems where a three-dimensional mesh can be viewed as an extrusion of a two-dimensional, unstructured mesh in a third dimension. Our motivation comes from the modeling of thin structures via finite elements and, more specifically, the modeling of ice sheets. Extruded meshes are relatively common for thin structures and often give rise to anisotropic problems when the thin direction mesh spacing is much smaller than the broad direction mesh spacing. Within our approach, the first few multigridmore » hierarchy levels are obtained by applying matrix dependent multigrid to semicoarsen in a structured thin direction fashion. After sufficient structured coarsening, the resulting mesh contains only a single layer corresponding to a two-dimensional, unstructured mesh. Algebraic multigrid can then be employed in a standard manner to create further coarse levels, as the anisotropic phenomena is no longer present in the single layer problem. The overall approach remains fully algebraic, with the minor exception that some additional information is needed to determine the extruded direction. Furthermore, this facilitates integration of the solver with a variety of different extruded mesh applications.« less

On the implementation of an accurate and efficient solver for convection-diffusion equations

NASA Astrophysics Data System (ADS)

Wu, Chin-Tien

In this dissertation, we examine several different aspects of computing the numerical solution of the convection-diffusion equation. The solution of this equation often exhibits sharp gradients due to Dirichlet outflow boundaries or discontinuities in boundary conditions. Because of the singular-perturbed nature of the equation, numerical solutions often have severe oscillations when grid sizes are not small enough to resolve sharp gradients. To overcome such difficulties, the streamline diffusion discretization method can be used to obtain an accurate approximate solution in regions where the solution is smooth. To increase accuracy of the solution in the regions containing layers, adaptive mesh refinement and mesh movement based on a posteriori error estimations can be employed. An error-adapted mesh refinement strategy based on a posteriori error estimations is also proposed to resolve layers. For solving the sparse linear systems that arise from discretization, goemetric multigrid (MG) and algebraic multigrid (AMG) are compared. In addition, both methods are also used as preconditioners for Krylov subspace methods. We derive some convergence results for MG with line Gauss-Seidel smoothers and bilinear interpolation. Finally, while considering adaptive mesh refinement as an integral part of the solution process, it is natural to set a stopping tolerance for the iterative linear solvers on each mesh stage so that the difference between the approximate solution obtained from iterative methods and the finite element solution is bounded by an a posteriori error bound. Here, we present two stopping criteria. The first is based on a residual-type a posteriori error estimator developed by Verfurth. The second is based on an a posteriori error estimator, using local solutions, developed by Kay and Silvester. Our numerical results show the refined mesh obtained from the iterative solution which satisfies the second criteria is similar to the refined mesh obtained from the finite element solution.

Semi-automatic sparse preconditioners for high-order finite element methods on non-uniform meshes

NASA Astrophysics Data System (ADS)

Austin, Travis M.; Brezina, Marian; Jamroz, Ben; Jhurani, Chetan; Manteuffel, Thomas A.; Ruge, John

2012-05-01

High-order finite elements often have a higher accuracy per degree of freedom than the classical low-order finite elements. However, in the context of implicit time-stepping methods, high-order finite elements present challenges to the construction of efficient simulations due to the high cost of inverting the denser finite element matrix. There are many cases where simulations are limited by the memory required to store the matrix and/or the algorithmic components of the linear solver. We are particularly interested in preconditioned Krylov methods for linear systems generated by discretization of elliptic partial differential equations with high-order finite elements. Using a preconditioner like Algebraic Multigrid can be costly in terms of memory due to the need to store matrix information at the various levels. We present a novel method for defining a preconditioner for systems generated by high-order finite elements that is based on a much sparser system than the original high-order finite element system. We investigate the performance for non-uniform meshes on a cube and a cubed sphere mesh, showing that the sparser preconditioner is more efficient and uses significantly less memory. Finally, we explore new methods to construct the sparse preconditioner and examine their effectiveness for non-uniform meshes. We compare results to a direct use of Algebraic Multigrid as a preconditioner and to a two-level additive Schwarz method.

Multigrid Strategies for Viscous Flow Solvers on Anisotropic Unstructured Meshes

NASA Technical Reports Server (NTRS)

Movriplis, Dimitri J.

1998-01-01

Unstructured multigrid techniques for relieving the stiffness associated with high-Reynolds number viscous flow simulations on extremely stretched grids are investigated. One approach consists of employing a semi-coarsening or directional-coarsening technique, based on the directions of strong coupling within the mesh, in order to construct more optimal coarse grid levels. An alternate approach is developed which employs directional implicit smoothing with regular fully coarsened multigrid levels. The directional implicit smoothing is obtained by constructing implicit lines in the unstructured mesh based on the directions of strong coupling. Both approaches yield large increases in convergence rates over the traditional explicit full-coarsening multigrid algorithm. However, maximum benefits are achieved by combining the two approaches in a coupled manner into a single algorithm. An order of magnitude increase in convergence rate over the traditional explicit full-coarsening algorithm is demonstrated, and convergence rates for high-Reynolds number viscous flows which are independent of the grid aspect ratio are obtained. Further acceleration is provided by incorporating low-Mach-number preconditioning techniques, and a Newton-GMRES strategy which employs the multigrid scheme as a preconditioner. The compounding effects of these various techniques on speed of convergence is documented through several example test cases.

A Nonlinear Multigrid Solver for an Atmospheric General Circulation Model Based on Semi-Implicit Semi-Lagrangian Advection of Potential Vorticity

NASA Technical Reports Server (NTRS)

McCormick, S.; Ruge, John W.

1998-01-01

This work represents a part of a project to develop an atmospheric general circulation model based on the semi-Lagrangian advection of potential vorticity (PC) with divergence as the companion prognostic variable.

Iterative and multigrid methods in the finite element solution of incompressible and turbulent fluid flow

NASA Astrophysics Data System (ADS)

Lavery, N.; Taylor, C.

1999-07-01

Multigrid and iterative methods are used to reduce the solution time of the matrix equations which arise from the finite element (FE) discretisation of the time-independent equations of motion of the incompressible fluid in turbulent motion. Incompressible flow is solved by using the method of reduce interpolation for the pressure to satisfy the Brezzi-Babuska condition. The k-l model is used to complete the turbulence closure problem. The non-symmetric iterative matrix methods examined are the methods of least squares conjugate gradient (LSCG), biconjugate gradient (BCG), conjugate gradient squared (CGS), and the biconjugate gradient squared stabilised (BCGSTAB). The multigrid algorithm applied is based on the FAS algorithm of Brandt, and uses two and three levels of grids with a V-cycling schedule. These methods are all compared to the non-symmetric frontal solver. Copyright

A multiple-block multigrid method for the solution of the three-dimensional Euler and Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Atkins, Harold

1991-01-01

A multiple block multigrid method for the solution of the three dimensional Euler and Navier-Stokes equations is presented. The basic flow solver is a cell vertex method which employs central difference spatial approximations and Runge-Kutta time stepping. The use of local time stepping, implicit residual smoothing, multigrid techniques and variable coefficient numerical dissipation results in an efficient and robust scheme is discussed. The multiblock strategy places the block loop within the Runge-Kutta Loop such that accuracy and convergence are not affected by block boundaries. This has been verified by comparing the results of one and two block calculations in which the two block grid is generated by splitting the one block grid. Results are presented for both Euler and Navier-Stokes computations of wing/fuselage combinations.

A mixed method Poisson solver for three-dimensional self-gravitating astrophysical fluid dynamical systems

NASA Technical Reports Server (NTRS)

Duncan, Comer; Jones, Jim

1993-01-01

A key ingredient in the simulation of self-gravitating astrophysical fluid dynamical systems is the gravitational potential and its gradient. This paper focuses on the development of a mixed method multigrid solver of the Poisson equation formulated so that both the potential and the Cartesian components of its gradient are self-consistently and accurately generated. The method achieves this goal by formulating the problem as a system of four equations for the gravitational potential and the three Cartesian components of the gradient and solves them using a distributed relaxation technique combined with conventional full multigrid V-cycles. The method is described, some tests are presented, and the accuracy of the method is assessed. We also describe how the method has been incorporated into our three-dimensional hydrodynamics code and give an example of an application to the collision of two stars. We end with some remarks about the future developments of the method and some of the applications in which it will be used in astrophysics.

A multiblock multigrid three-dimensional Euler equation solver

NASA Technical Reports Server (NTRS)

Cannizzaro, Frank E.; Elmiligui, Alaa; Melson, N. Duane; Vonlavante, E.

1990-01-01

Current aerodynamic designs are often quite complex (geometrically). Flexible computational tools are needed for the analysis of a wide range of configurations with both internal and external flows. In the past, geometrically dissimilar configurations required different analysis codes with different grid topologies in each. The duplicity of codes can be avoided with the use of a general multiblock formulation which can handle any grid topology. Rather than hard wiring the grid topology into the program, it is instead dictated by input to the program. In this work, the compressible Euler equations, written in a body-fitted finite-volume formulation, are solved using a pseudo-time-marching approach. Two upwind methods (van Leer's flux-vector-splitting and Roe's flux-differencing) were investigated. Two types of explicit solvers (a two-step predictor-corrector and a modified multistage Runge-Kutta) were used with multigrid acceleration to enhance convergence. A multiblock strategy is used to allow greater geometric flexibility. A report on simple explicit upwind schemes for solving compressible flows is included.

One shot methods for optimal control of distributed parameter systems 1: Finite dimensional control

NASA Technical Reports Server (NTRS)

Taasan, Shlomo

1991-01-01

The efficient numerical treatment of optimal control problems governed by elliptic partial differential equations (PDEs) and systems of elliptic PDEs, where the control is finite dimensional is discussed. Distributed control as well as boundary control cases are discussed. The main characteristic of the new methods is that they are designed to solve the full optimization problem directly, rather than accelerating a descent method by an efficient multigrid solver for the equations involved. The methods use the adjoint state in order to achieve efficient smoother and a robust coarsening strategy. The main idea is the treatment of the control variables on appropriate scales, i.e., control variables that correspond to smooth functions are solved for on coarse grids depending on the smoothness of these functions. Solution of the control problems is achieved with the cost of solving the constraint equations about two to three times (by a multigrid solver). Numerical examples demonstrate the effectiveness of the method proposed in distributed control case, pointwise control and boundary control problems.

Multigrid Methods for Fully Implicit Oil Reservoir Simulation

NASA Technical Reports Server (NTRS)

Molenaar, J.

1996-01-01

In this paper we consider the simultaneous flow of oil and water in reservoir rock. This displacement process is modeled by two basic equations: the material balance or continuity equations and the equation of motion (Darcy's law). For the numerical solution of this system of nonlinear partial differential equations there are two approaches: the fully implicit or simultaneous solution method and the sequential solution method. In the sequential solution method the system of partial differential equations is manipulated to give an elliptic pressure equation and a hyperbolic (or parabolic) saturation equation. In the IMPES approach the pressure equation is first solved, using values for the saturation from the previous time level. Next the saturations are updated by some explicit time stepping method; this implies that the method is only conditionally stable. For the numerical solution of the linear, elliptic pressure equation multigrid methods have become an accepted technique. On the other hand, the fully implicit method is unconditionally stable, but it has the disadvantage that in every time step a large system of nonlinear algebraic equations has to be solved. The most time-consuming part of any fully implicit reservoir simulator is the solution of this large system of equations. Usually this is done by Newton's method. The resulting systems of linear equations are then either solved by a direct method or by some conjugate gradient type method. In this paper we consider the possibility of applying multigrid methods for the iterative solution of the systems of nonlinear equations. There are two ways of using multigrid for this job: either we use a nonlinear multigrid method or we use a linear multigrid method to deal with the linear systems that arise in Newton's method. So far only a few authors have reported on the use of multigrid methods for fully implicit simulations. Two-level FAS algorithm is presented for the black-oil equations, and linear multigrid for two-phase flow problems with strong heterogeneities and anisotropies is studied. Here we consider both possibilities. Moreover we present a novel way for constructing the coarse grid correction operator in linear multigrid algorithms. This approach has the advantage in that it preserves the sparsity pattern of the fine grid matrix and it can be extended to systems of equations in a straightforward manner. We compare the linear and nonlinear multigrid algorithms by means of a numerical experiment.

Solvers for the Cardiac Bidomain Equations

PubMed Central

Vigmond, E.J.; Weber dos Santos, R.; Prassl, A.J.; Deo, M.; Plank, G.

2010-01-01

The bidomain equations are widely used for the simulation of electrical activity in cardiac tissue. They are especially important for accurately modelling extracellular stimulation, as evidenced by their prediction of virtual electrode polarization before experimental verification. However, solution of the equations is computationally expensive due to the fine spatial and temporal discretization needed. This limits the size and duration of the problem which can be modeled. Regardless of the specific form into which they are cast, the computational bottleneck becomes the repeated solution of a large, linear system. The purpose of this review is to give an overview of the equations, and the methods by which they have been solved. Of particular note are recent developments in multigrid methods, which have proven to be the most efficient. PMID:17900668

Compiler-based code generation and autotuning for geometric multigrid on GPU-accelerated supercomputers

DOE PAGES

Basu, Protonu; Williams, Samuel; Van Straalen, Brian; ...

2017-04-05

GPUs, with their high bandwidths and computational capabilities are an increasingly popular target for scientific computing. Unfortunately, to date, harnessing the power of the GPU has required use of a GPU-specific programming model like CUDA, OpenCL, or OpenACC. Thus, in order to deliver portability across CPU-based and GPU-accelerated supercomputers, programmers are forced to write and maintain two versions of their applications or frameworks. In this paper, we explore the use of a compiler-based autotuning framework based on CUDA-CHiLL to deliver not only portability, but also performance portability across CPU- and GPU-accelerated platforms for the geometric multigrid linear solvers found inmore » many scientific applications. We also show that with autotuning we can attain near Roofline (a performance bound for a computation and target architecture) performance across the key operations in the miniGMG benchmark for both CPU- and GPU-based architectures as well as for a multiple stencil discretizations and smoothers. We show that our technology is readily interoperable with MPI resulting in performance at scale equal to that obtained via hand-optimized MPI+CUDA implementation.« less

Performance of fully-coupled algebraic multigrid preconditioners for large-scale VMS resistive MHD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, P. T.; Shadid, J. N.; Hu, J. J.

Here, we explore the current performance and scaling of a fully-implicit stabilized unstructured finite element (FE) variational multiscale (VMS) capability for large-scale simulations of 3D incompressible resistive magnetohydrodynamics (MHD). The large-scale linear systems that are generated by a Newton nonlinear solver approach are iteratively solved by preconditioned Krylov subspace methods. The efficiency of this approach is critically dependent on the scalability and performance of the algebraic multigrid preconditioner. Our study considers the performance of the numerical methods as recently implemented in the second-generation Trilinos implementation that is 64-bit compliant and is not limited by the 32-bit global identifiers of themore » original Epetra-based Trilinos. The study presents representative results for a Poisson problem on 1.6 million cores of an IBM Blue Gene/Q platform to demonstrate very large-scale parallel execution. Additionally, results for a more challenging steady-state MHD generator and a transient solution of a benchmark MHD turbulence calculation for the full resistive MHD system are also presented. These results are obtained on up to 131,000 cores of a Cray XC40 and one million cores of a BG/Q system.« less

Performance of fully-coupled algebraic multigrid preconditioners for large-scale VMS resistive MHD

DOE PAGES

Lin, P. T.; Shadid, J. N.; Hu, J. J.; ...

2017-11-06

Here, we explore the current performance and scaling of a fully-implicit stabilized unstructured finite element (FE) variational multiscale (VMS) capability for large-scale simulations of 3D incompressible resistive magnetohydrodynamics (MHD). The large-scale linear systems that are generated by a Newton nonlinear solver approach are iteratively solved by preconditioned Krylov subspace methods. The efficiency of this approach is critically dependent on the scalability and performance of the algebraic multigrid preconditioner. Our study considers the performance of the numerical methods as recently implemented in the second-generation Trilinos implementation that is 64-bit compliant and is not limited by the 32-bit global identifiers of themore » original Epetra-based Trilinos. The study presents representative results for a Poisson problem on 1.6 million cores of an IBM Blue Gene/Q platform to demonstrate very large-scale parallel execution. Additionally, results for a more challenging steady-state MHD generator and a transient solution of a benchmark MHD turbulence calculation for the full resistive MHD system are also presented. These results are obtained on up to 131,000 cores of a Cray XC40 and one million cores of a BG/Q system.« less

Compiler-based code generation and autotuning for geometric multigrid on GPU-accelerated supercomputers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Basu, Protonu; Williams, Samuel; Van Straalen, Brian

GPUs, with their high bandwidths and computational capabilities are an increasingly popular target for scientific computing. Unfortunately, to date, harnessing the power of the GPU has required use of a GPU-specific programming model like CUDA, OpenCL, or OpenACC. Thus, in order to deliver portability across CPU-based and GPU-accelerated supercomputers, programmers are forced to write and maintain two versions of their applications or frameworks. In this paper, we explore the use of a compiler-based autotuning framework based on CUDA-CHiLL to deliver not only portability, but also performance portability across CPU- and GPU-accelerated platforms for the geometric multigrid linear solvers found inmore » many scientific applications. We also show that with autotuning we can attain near Roofline (a performance bound for a computation and target architecture) performance across the key operations in the miniGMG benchmark for both CPU- and GPU-based architectures as well as for a multiple stencil discretizations and smoothers. We show that our technology is readily interoperable with MPI resulting in performance at scale equal to that obtained via hand-optimized MPI+CUDA implementation.« less

Real-time adaptive finite element solution of time-dependent Kohn-Sham equation

NASA Astrophysics Data System (ADS)

Bao, Gang; Hu, Guanghui; Liu, Di

2015-01-01

In our previous paper (Bao et al., 2012 [1]), a general framework of using adaptive finite element methods to solve the Kohn-Sham equation has been presented. This work is concerned with solving the time-dependent Kohn-Sham equations. The numerical methods are studied in the time domain, which can be employed to explain both the linear and the nonlinear effects. A Crank-Nicolson scheme and linear finite element space are employed for the temporal and spatial discretizations, respectively. To resolve the trouble regions in the time-dependent simulations, a heuristic error indicator is introduced for the mesh adaptive methods. An algebraic multigrid solver is developed to efficiently solve the complex-valued system derived from the semi-implicit scheme. A mask function is employed to remove or reduce the boundary reflection of the wavefunction. The effectiveness of our method is verified by numerical simulations for both linear and nonlinear phenomena, in which the effectiveness of the mesh adaptive methods is clearly demonstrated.

Multiphase three-dimensional direct numerical simulation of a rotating impeller with code Blue

NASA Astrophysics Data System (ADS)

Kahouadji, Lyes; Shin, Seungwon; Chergui, Jalel; Juric, Damir; Craster, Richard V.; Matar, Omar K.

2017-11-01

The flow driven by a rotating impeller inside an open fixed cylindrical cavity is simulated using code Blue, a solver for massively-parallel simulations of fully three-dimensional multiphase flows. The impeller is composed of four blades at a 45° inclination all attached to a central hub and tube stem. In Blue, solid forms are constructed through the definition of immersed objects via a distance function that accounts for the object's interaction with the flow for both single and two-phase flows. We use a moving frame technique for imposing translation and/or rotation. The variation of the Reynolds number, the clearance, and the tank aspect ratio are considered, and we highlight the importance of the confinement ratio (blade radius versus the tank radius) in the mixing process. Blue uses a domain decomposition strategy for parallelization with MPI. The fluid interface solver is based on a parallel implementation of a hybrid front-tracking/level-set method designed complex interfacial topological changes. Parallel GMRES and multigrid iterative solvers are applied to the linear systems arising from the implicit solution for the fluid velocities and pressure in the presence of strong density and viscosity discontinuities across fluid phases. EPSRC, UK, MEMPHIS program Grant (EP/K003976/1), RAEng Research Chair (OKM).

Seeking Space Aliens and the Strong Approximation Property: A (disjoint) Study in Dust Plumes on Planetary Satellites and Nonsymmetric Algebraic Multigrid

NASA Astrophysics Data System (ADS)

Southworth, Benjamin Scott

PART I: One of the most fascinating questions to humans has long been whether life exists outside of our planet. To our knowledge, water is a fundamental building block of life, which makes liquid water on other bodies in the universe a topic of great interest. In fact, there are large bodies of water right here in our solar system, underneath the icy crust of moons around Saturn and Jupiter. The NASA-ESA Cassini Mission spent two decades studying the Saturnian system. One of the many exciting discoveries was a "plume" on the south pole of Enceladus, emitting hundreds of kg/s of water vapor and frozen water-ice particles from Enceladus' subsurface ocean. It has since been determined that Enceladus likely has a global liquid water ocean separating its rocky core from icy surface, with conditions that are relatively favorable to support life. The plume is of particular interest because it gives direct access to ocean particles from space, by flying through the plume. Recently, evidence has been found for similar geological activity occurring on Jupiter's moon Europa, long considered one of the most likely candidate bodies to support life in our solar system. Here, a model for plume-particle dynamics is developed based on studies of the Enceladus plume and data from the Cassini Cosmic Dust Analyzer. A C++, OpenMP/MPI parallel software package is then built to run large scale simulations of dust plumes on planetary satellites. In the case of Enceladus, data from simulations and the Cassini mission provide insight into the structure of emissions on the surface, the total mass production of the plume, and the distribution of particles being emitted. Each of these are fundamental to understanding the plume and, for Europa and Enceladus, simulation data provide important results for the planning of future missions to these icy moons. In particular, this work has contributed to the Europa Clipper mission and proposed Enceladus Life Finder. PART II: Solving large, sparse linear systems arises often in the modeling of biological and physical phenomenon, data analysis through graphs and networks, and other scientific applications. This work focuses primarily on linear systems resulting from the discretization of partial differential equations (PDEs). Because solving linear systems is the bottleneck of many large simulation codes, there is a rich field of research in developing "fast" solvers, with the ultimate goal being a method that solves an n x n linear system in O(n) operations. One of the most effective classes of solvers is algebraic multigrid (AMG), which is a multilevel iterative method based on projecting the problem into progressively smaller spaces, and scales like O(n) or O(nlog n) for certain classes of problems. The field of AMG is well-developed for symmetric positive definite matrices, and is typically most effective on linear systems resulting from the discretization of scalar elliptic PDEs, such as the heat equation. Systems of PDEs can add additional difficulties, but the underlying linear algebraic theory is consistent and, in many cases, an elliptic system of PDEs can be handled well by AMG with appropriate modifications of the solver. Solving general, nonsymmetric linear systems remains the wild west of AMG (and other fast solvers), lacking significant results in convergence theory as well as robust methods. Here, we develop new theoretical motivation and practical variations of AMG to solve nonsymmetric linear systems, often resulting from the discretization of hyperbolic PDEs. In particular, multilevel convergence of AMG for nonsymmetric systems is proven for the first time. A new nonsymmetric AMG solver is also developed based on an approximate ideal restriction, referred to as AIR, which is able to solve advection-dominated, hyperbolic-type problems that are outside the scope of existing AMG solvers and other fast iterative methods. AIR demonstrates scalable convergence on unstructured meshes, in multiple dimensions, and with high-order finite elements, expanding the applicability of AMG to a new class of problems.

Investigation of upwind, multigrid, multiblock numerical schemes for three dimensional flows. Volume 1: Runge-Kutta methods for a thin layer Navier-Stokes solver

NASA Technical Reports Server (NTRS)

Cannizzaro, Frank E.; Ash, Robert L.

1992-01-01

A state-of-the-art computer code has been developed that incorporates a modified Runge-Kutta time integration scheme, upwind numerical techniques, multigrid acceleration, and multi-block capabilities (RUMM). A three-dimensional thin-layer formulation of the Navier-Stokes equations is employed. For turbulent flow cases, the Baldwin-Lomax algebraic turbulence model is used. Two different upwind techniques are available: van Leer's flux-vector splitting and Roe's flux-difference splitting. Full approximation multi-grid plus implicit residual and corrector smoothing were implemented to enhance the rate of convergence. Multi-block capabilities were developed to provide geometric flexibility. This feature allows the developed computer code to accommodate any grid topology or grid configuration with multiple topologies. The results shown in this dissertation were chosen to validate the computer code and display its geometric flexibility, which is provided by the multi-block structure.

Multigrid methods for numerical simulation of laminar diffusion flames

NASA Technical Reports Server (NTRS)

Liu, C.; Liu, Z.; Mccormick, S.

1993-01-01

This paper documents the result of a computational study of multigrid methods for numerical simulation of 2D diffusion flames. The focus is on a simplified combustion model, which is assumed to be a single step, infinitely fast and irreversible chemical reaction with five species (C3H8, O2, N2, CO2 and H2O). A fully-implicit second-order hybrid scheme is developed on a staggered grid, which is stretched in the streamwise coordinate direction. A full approximation multigrid scheme (FAS) based on line distributive relaxation is developed as a fast solver for the algebraic equations arising at each time step. Convergence of the process for the simplified model problem is more than two-orders of magnitude faster than other iterative methods, and the computational results show good grid convergence, with second-order accuracy, as well as qualitatively agreement with the results of other researchers.

Efficient relaxed-Jacobi smoothers for multigrid on parallel computers

NASA Astrophysics Data System (ADS)

Yang, Xiang; Mittal, Rajat

2017-03-01

In this Technical Note, we present a family of Jacobi-based multigrid smoothers suitable for the solution of discretized elliptic equations. These smoothers are based on the idea of scheduled-relaxation Jacobi proposed recently by Yang & Mittal (2014) [18] and employ two or three successive relaxed Jacobi iterations with relaxation factors derived so as to maximize the smoothing property of these iterations. The performance of these new smoothers measured in terms of convergence acceleration and computational workload, is assessed for multi-domain implementations typical of parallelized solvers, and compared to the lexicographic point Gauss-Seidel smoother. The tests include the geometric multigrid method on structured grids as well as the algebraic grid method on unstructured grids. The tests demonstrate that unlike Gauss-Seidel, the convergence of these Jacobi-based smoothers is unaffected by domain decomposition, and furthermore, they outperform the lexicographic Gauss-Seidel by factors that increase with domain partition count.

A Fast and Robust Poisson-Boltzmann Solver Based on Adaptive Cartesian Grids

PubMed Central

Boschitsch, Alexander H.; Fenley, Marcia O.

2011-01-01

An adaptive Cartesian grid (ACG) concept is presented for the fast and robust numerical solution of the 3D Poisson-Boltzmann Equation (PBE) governing the electrostatic interactions of large-scale biomolecules and highly charged multi-biomolecular assemblies such as ribosomes and viruses. The ACG offers numerous advantages over competing grid topologies such as regular 3D lattices and unstructured grids. For very large biological molecules and multi-biomolecule assemblies, the total number of grid-points is several orders of magnitude less than that required in a conventional lattice grid used in the current PBE solvers thus allowing the end user to obtain accurate and stable nonlinear PBE solutions on a desktop computer. Compared to tetrahedral-based unstructured grids, ACG offers a simpler hierarchical grid structure, which is naturally suited to multigrid, relieves indirect addressing requirements and uses fewer neighboring nodes in the finite difference stencils. Construction of the ACG and determination of the dielectric/ionic maps are straightforward, fast and require minimal user intervention. Charge singularities are eliminated by reformulating the problem to produce the reaction field potential in the molecular interior and the total electrostatic potential in the exterior ionic solvent region. This approach minimizes grid-dependency and alleviates the need for fine grid spacing near atomic charge sites. The technical portion of this paper contains three parts. First, the ACG and its construction for general biomolecular geometries are described. Next, a discrete approximation to the PBE upon this mesh is derived. Finally, the overall solution procedure and multigrid implementation are summarized. Results obtained with the ACG-based PBE solver are presented for: (i) a low dielectric spherical cavity, containing interior point charges, embedded in a high dielectric ionic solvent – analytical solutions are available for this case, thus allowing rigorous assessment of the solution accuracy; (ii) a pair of low dielectric charged spheres embedded in a ionic solvent to compute electrostatic interaction free energies as a function of the distance between sphere centers; (iii) surface potentials of proteins, nucleic acids and their larger-scale assemblies such as ribosomes; and (iv) electrostatic solvation free energies and their salt sensitivities – obtained with both linear and nonlinear Poisson-Boltzmann equation – for a large set of proteins. These latter results along with timings can serve as benchmarks for comparing the performance of different PBE solvers. PMID:21984876

A Conforming Multigrid Method for the Pure Traction Problem of Linear Elasticity: Mixed Formulation

NASA Technical Reports Server (NTRS)

Lee, Chang-Ock

1996-01-01

A multigrid method using conforming P-1 finite element is developed for the two-dimensional pure traction boundary value problem of linear elasticity. The convergence is uniform even as the material becomes nearly incompressible. A heuristic argument for acceleration of the multigrid method is discussed as well. Numerical results with and without this acceleration as well as performance estimates on a parallel computer are included.

Robust Multigrid Smoothers for Three Dimensional Elliptic Equations with Strong Anisotropies

NASA Technical Reports Server (NTRS)

Llorente, Ignacio M.; Melson, N. Duane

1998-01-01

We discuss the behavior of several plane relaxation methods as multigrid smoothers for the solution of a discrete anisotropic elliptic model problem on cell-centered grids. The methods compared are plane Jacobi with damping, plane Jacobi with partial damping, plane Gauss-Seidel, plane zebra Gauss-Seidel, and line Gauss-Seidel. Based on numerical experiments and local mode analysis, we compare the smoothing factor of the different methods in the presence of strong anisotropies. A four-color Gauss-Seidel method is found to have the best numerical and architectural properties of the methods considered in the present work. Although alternating direction plane relaxation schemes are simpler and more robust than other approaches, they are not currently used in industrial and production codes because they require the solution of a two-dimensional problem for each plane in each direction. We verify the theoretical predictions of Thole and Trottenberg that an exact solution of each plane is not necessary and that a single two-dimensional multigrid cycle gives the same result as an exact solution, in much less execution time. Parallelization of the two-dimensional multigrid cycles, the kernel of the three-dimensional implicit solver, is also discussed. Alternating-plane smoothers are found to be highly efficient multigrid smoothers for anisotropic elliptic problems.

Variational optical flow computation in real time.

PubMed

Bruhn, Andrés; Weickert, Joachim; Feddern, Christian; Kohlberger, Timo; Schnörr, Christoph

2005-05-01

This paper investigates the usefulness of bidirectional multigrid methods for variational optical flow computations. Although these numerical schemes are among the fastest methods for solving equation systems, they are rarely applied in the field of computer vision. We demonstrate how to employ those numerical methods for the treatment of variational optical flow formulations and show that the efficiency of this approach even allows for real-time performance on standard PCs. As a representative for variational optic flow methods, we consider the recently introduced combined local-global method. It can be considered as a noise-robust generalization of the Horn and Schunck technique. We present a decoupled, as well as a coupled, version of the classical Gauss-Seidel solver, and we develop several multgrid implementations based on a discretization coarse grid approximation. In contrast, with standard bidirectional multigrid algorithms, we take advantage of intergrid transfer operators that allow for nondyadic grid hierarchies. As a consequence, no restrictions concerning the image size or the number of traversed levels have to be imposed. In the experimental section, we juxtapose the developed multigrid schemes and demonstrate their superior performance when compared to unidirectional multgrid methods and nonhierachical solvers. For the well-known 316 x 252 Yosemite sequence, we succeeded in computing the complete set of dense flow fields in three quarters of a second on a 3.06-GHz Pentium4 PC. This corresponds to a frame rate of 18 flow fields per second which outperforms the widely-used Gauss-Seidel method by almost three orders of magnitude.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chacon, Luis; Stanier, Adam John

Here, we demonstrate a scalable fully implicit algorithm for the two-field low-β extended MHD model. This reduced model describes plasma behavior in the presence of strong guide fields, and is of significant practical impact both in nature and in laboratory plasmas. The model displays strong hyperbolic behavior, as manifested by the presence of fast dispersive waves, which make a fully implicit treatment very challenging. In this study, we employ a Jacobian-free Newton–Krylov nonlinear solver, for which we propose a physics-based preconditioner that renders the linearized set of equations suitable for inversion with multigrid methods. As a result, the algorithm ismore » shown to scale both algorithmically (i.e., the iteration count is insensitive to grid refinement and timestep size) and in parallel in a weak-scaling sense, with the wall-clock time scaling weakly with the number of cores for up to 4096 cores. For a 4096 × 4096 mesh, we demonstrate a wall-clock-time speedup of ~6700 with respect to explicit algorithms. The model is validated linearly (against linear theory predictions) and nonlinearly (against fully kinetic simulations), demonstrating excellent agreement.« less

pyro: Python-based tutorial for computational methods for hydrodynamics

NASA Astrophysics Data System (ADS)

Zingale, Michael

2015-07-01

pyro is a simple python-based tutorial on computational methods for hydrodynamics. It includes 2-d solvers for advection, compressible, incompressible, and low Mach number hydrodynamics, diffusion, and multigrid. It is written with ease of understanding in mind. An extensive set of notes that is part of the Open Astrophysics Bookshelf project provides details of the algorithms.

Multigrid Equation Solvers for Large Scale Nonlinear Finite Element Simulations

DTIC Science & Technology

1999-01-01

purpose of the second partitioning phase , on each SMP, is to minimize the communication within the SMP; even if a multi - threaded matrix vector product...8.7 Comparison of model with experimental data for send phase of matrix vector product on ne grid...140 8.4 Matrix vector product phase times : : : : : : : : : : : : : : : : : : : : : : : 145 9.1 Flat and

CUDA GPU based full-Stokes finite difference modelling of glaciers

NASA Astrophysics Data System (ADS)

Brædstrup, C. F.; Egholm, D. L.

2012-04-01

Many have stressed the limitations of using the shallow shelf and shallow ice approximations when modelling ice streams or surging glaciers. Using a full-stokes approach requires either large amounts of computer power or time and is therefore seldom an option for most glaciologists. Recent advances in graphics card (GPU) technology for high performance computing have proven extremely efficient in accelerating many large scale scientific computations. The general purpose GPU (GPGPU) technology is cheap, has a low power consumption and fits into a normal desktop computer. It could therefore provide a powerful tool for many glaciologists. Our full-stokes ice sheet model implements a Red-Black Gauss-Seidel iterative linear solver to solve the full stokes equations. This technique has proven very effective when applied to the stokes equation in geodynamics problems, and should therefore also preform well in glaciological flow probems. The Gauss-Seidel iterator is known to be robust but several other linear solvers have a much faster convergence. To aid convergence, the solver uses a multigrid approach where values are interpolated and extrapolated between different grid resolutions to minimize the short wavelength errors efficiently. This reduces the iteration count by several orders of magnitude. The run-time is further reduced by using the GPGPU technology where each card has up to 448 cores. Researchers utilizing the GPGPU technique in other areas have reported between 2 - 11 times speedup compared to multicore CPU implementations on similar problems. The goal of these initial investigations into the possible usage of GPGPU technology in glacial modelling is to apply the enhanced resolution of a full-stokes solver to ice streams and surging glaciers. This is a area of growing interest because ice streams are the main drainage conjugates for large ice sheets. It is therefore crucial to understand this streaming behavior and it's impact up-ice.

From 2D to 3D modelling in long term tectonics: Modelling challenges and HPC solutions (Invited)

NASA Astrophysics Data System (ADS)

Le Pourhiet, L.; May, D.

2013-12-01

Over the last decades, 3D thermo-mechanical codes have been made available to the long term tectonics community either as open source (Underworld, Gale) or more limited access (Fantom, Elvis3D, Douar, LaMem etc ...). However, to date, few published results using these methods have included the coupling between crustal and lithospheric dynamics at large strain. The fact that these computations are computational expensive is not the primary reason for the relatively slow development of 3D modeling in the long term tectonics community, as compare to the rapid development observed within the mantle dynamic community, or in the short-term tectonics field. Long term tectonics problems have specific issues not found in either of these two field, including; large strain (not an issue for short-term), the inclusion of free surface and the occurence of large viscosity contrasts. The first issue is typically eliminated using a combined marker-ALE method instead of fully lagrangian method, however, the marker-ALE approach can pose some algorithmic challenges in a massively parallel environment. The two last issues are more problematic because they affect the convergence of the linear/non-linear solver and the memory cost. Two options have been tested so far, using low order element and solving with a sparse direct solver, or using higher order stable elements together with a multi-grid solver. The first options, is simpler to code and to use but reaches its limit at around 80^3 low order elements. The second option requires more operations but allows using iterative solver on extremely large computers. In this presentation, I will describe the design philosophy and highlight results obtained using a code from the second-class method. The presentation will be oriented from an end-user point of view, using an application from 3D continental break up to illustrate key concepts. The description will proceed point by point from implementing physics into the code, to dealing with specific issues related to solving the discrete system of non linear equations.

New Nonlinear Multigrid Analysis

NASA Technical Reports Server (NTRS)

Xie, Dexuan

1996-01-01

The nonlinear multigrid is an efficient algorithm for solving the system of nonlinear equations arising from the numerical discretization of nonlinear elliptic boundary problems. In this paper, we present a new nonlinear multigrid analysis as an extension of the linear multigrid theory presented by Bramble. In particular, we prove the convergence of the nonlinear V-cycle method for a class of mildly nonlinear second order elliptic boundary value problems which do not have full elliptic regularity.

Large Scale, High Resolution, Mantle Dynamics Modeling

NASA Astrophysics Data System (ADS)

Geenen, T.; Berg, A. V.; Spakman, W.

2007-12-01

To model the geodynamic evolution of plate convergence, subduction and collision and to allow for a connection to various types of observational data, geophysical, geodetical and geological, we developed a 4D (space-time) numerical mantle convection code. The model is based on a spherical 3D Eulerian fem model, with quadratic elements, on top of which we constructed a 3D Lagrangian particle in cell(PIC) method. We use the PIC method to transport material properties and to incorporate a viscoelastic rheology. Since capturing small scale processes associated with localization phenomena require a high resolution, we spend a considerable effort on implementing solvers suitable to solve for models with over 100 million degrees of freedom. We implemented Additive Schwartz type ILU based methods in combination with a Krylov solver, GMRES. However we found that for problems with over 500 thousend degrees of freedom the convergence of the solver degraded severely. This observation is known from the literature [Saad, 2003] and results from the local character of the ILU preconditioner resulting in a poor approximation of the inverse of A for large A. The size of A for which ILU is no longer usable depends on the condition of A and on the amount of fill in allowed for the ILU preconditioner. We found that for our problems with over 5×105 degrees of freedom convergence became to slow to solve the system within an acceptable amount of walltime, one minute, even when allowing for considerable amount of fill in. We also implemented MUMPS and found good scaling results for problems up to 107 degrees of freedom for up to 32 CPU¡¯s. For problems with over 100 million degrees of freedom we implemented Algebraic Multigrid type methods (AMG) from the ML library [Sala, 2006]. Since multigrid methods are most effective for single parameter problems, we rebuild our model to use the SIMPLE method in the Stokes solver [Patankar, 1980]. We present scaling results from these solvers for 3D spherical models. We also applied the above mentioned method to a high resolution (~ 1 km) 2D mantle convection model with temperature, pressure and phase dependent rheology including several phase transitions. We focus on a model of a subducting lithospheric slab which is subject to strong folding at the bottom of the mantle's D" region which includes the postperovskite phase boundary. For a detailed description of this model we refer to poster [Mantel convection models of the D" region, U17] [Saad, 2003] Saad, Y. (2003). Iterative methods for sparse linear systems. [Sala, 2006] Sala. M (2006) An Object-Oriented Framework for the Development of Scalable Parallel Multilevel Preconditioners. ACM Transactions on Mathematical Software, 32 (3), 2006 [Patankar, 1980] Patankar, S. V.(1980) Numerical Heat Transfer and Fluid Flow, Hemisphere, Washington.

Robust parallel iterative solvers for linear and least-squares problems, Final Technical Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saad, Yousef

2014-01-16

The primary goal of this project is to study and develop robust iterative methods for solving linear systems of equations and least squares systems. The focus of the Minnesota team is on algorithms development, robustness issues, and on tests and validation of the methods on realistic problems. 1. The project begun with an investigation on how to practically update a preconditioner obtained from an ILU-type factorization, when the coefficient matrix changes. 2. We investigated strategies to improve robustness in parallel preconditioners in a specific case of a PDE with discontinuous coefficients. 3. We explored ways to adapt standard preconditioners formore » solving linear systems arising from the Helmholtz equation. These are often difficult linear systems to solve by iterative methods. 4. We have also worked on purely theoretical issues related to the analysis of Krylov subspace methods for linear systems. 5. We developed an effective strategy for performing ILU factorizations for the case when the matrix is highly indefinite. The strategy uses shifting in some optimal way. The method was extended to the solution of Helmholtz equations by using complex shifts, yielding very good results in many cases. 6. We addressed the difficult problem of preconditioning sparse systems of equations on GPUs. 7. A by-product of the above work is a software package consisting of an iterative solver library for GPUs based on CUDA. This was made publicly available. It was the first such library that offers complete iterative solvers for GPUs. 8. We considered another form of ILU which blends coarsening techniques from Multigrid with algebraic multilevel methods. 9. We have released a new version on our parallel solver - called pARMS [new version is version 3]. As part of this we have tested the code in complex settings - including the solution of Maxwell and Helmholtz equations and for a problem of crystal growth.10. As an application of polynomial preconditioning we considered the problem of evaluating f(A)v which arises in statistical sampling. 11. As an application to the methods we developed, we tackled the problem of computing the diagonal of the inverse of a matrix. This arises in statistical applications as well as in many applications in physics. We explored probing methods as well as domain-decomposition type methods. 12. A collaboration with researchers from Toulouse, France, considered the important problem of computing the Schur complement in a domain-decomposition approach. 13. We explored new ways of preconditioning linear systems, based on low-rank approximations.« less

Multigrid Method for Modeling Multi-Dimensional Combustion with Detailed Chemistry

NASA Technical Reports Server (NTRS)

Zheng, Xiaoqing; Liu, Chaoqun; Liao, Changming; Liu, Zhining; McCormick, Steve

1996-01-01

A highly accurate and efficient numerical method is developed for modeling 3-D reacting flows with detailed chemistry. A contravariant velocity-based governing system is developed for general curvilinear coordinates to maintain simplicity of the continuity equation and compactness of the discretization stencil. A fully-implicit backward Euler technique and a third-order monotone upwind-biased scheme on a staggered grid are used for the respective temporal and spatial terms. An efficient semi-coarsening multigrid method based on line-distributive relaxation is used as the flow solver. The species equations are solved in a fully coupled way and the chemical reaction source terms are treated implicitly. Example results are shown for a 3-D gas turbine combustor with strong swirling inflows.

Multigrid treatment of implicit continuum diffusion

NASA Astrophysics Data System (ADS)

Francisquez, Manaure; Zhu, Ben; Rogers, Barrett

2017-10-01

Implicit treatment of diffusive terms of various differential orders common in continuum mechanics modeling, such as computational fluid dynamics, is investigated with spectral and multigrid algorithms in non-periodic 2D domains. In doubly periodic time dependent problems these terms can be efficiently and implicitly handled by spectral methods, but in non-periodic systems solved with distributed memory parallel computing and 2D domain decomposition, this efficiency is lost for large numbers of processors. We built and present here a multigrid algorithm for these types of problems which outperforms a spectral solution that employs the highly optimized FFTW library. This multigrid algorithm is not only suitable for high performance computing but may also be able to efficiently treat implicit diffusion of arbitrary order by introducing auxiliary equations of lower order. We test these solvers for fourth and sixth order diffusion with idealized harmonic test functions as well as a turbulent 2D magnetohydrodynamic simulation. It is also shown that an anisotropic operator without cross-terms can improve model accuracy and speed, and we examine the impact that the various diffusion operators have on the energy, the enstrophy, and the qualitative aspect of a simulation. This work was supported by DOE-SC-0010508. This research used resources of the National Energy Research Scientific Computing Center (NERSC).

Some Approaches Towards Constructing Optimally Efficient Multigrid Solvers for the Inviscid Flow Equations

NASA Technical Reports Server (NTRS)

Sidilkover, David

1997-01-01

Some important advances took place during the last several years in the development of genuinely multidimensional upwind schemes for the compressible Euler equations. In particular, a robust, high-resolution genuinely multidimensional scheme which can be used for any of the flow regimes computations was constructed. This paper summarizes briefly these developments and outlines the fundamental advantages of this approach.

A Parallel Multigrid Solver for Viscous Flows on Anisotropic Structured Grids

DTIC Science & Technology

2001-10-01

the US-Spain Joint Commission for Scienti c and Technological Cooperation. yDepartamento Arquitectura de Computadores y Automatica, Universidad...Complutense, 28040 Madrid, Spain. E-mail: mpmatias@dacya.ucm.es zDepartamento Arquitectura de Computadores y Automatica, Universidad Complutense, 28040...Madrid, Spain. E-mail: rubensm@dacya.ucm.es xDepartamento Arquitectura de Computadores y Automatica, Universidad Complutense, 28040 Madrid, Spain. E-mail

A Domain-Decomposed Multilevel Method for Adaptively Refined Cartesian Grids with Embedded Boundaries

NASA Technical Reports Server (NTRS)

Aftosmis, M. J.; Berger, M. J.; Adomavicius, G.

2000-01-01

Preliminary verification and validation of an efficient Euler solver for adaptively refined Cartesian meshes with embedded boundaries is presented. The parallel, multilevel method makes use of a new on-the-fly parallel domain decomposition strategy based upon the use of space-filling curves, and automatically generates a sequence of coarse meshes for processing by the multigrid smoother. The coarse mesh generation algorithm produces grids which completely cover the computational domain at every level in the mesh hierarchy. A series of examples on realistically complex three-dimensional configurations demonstrate that this new coarsening algorithm reliably achieves mesh coarsening ratios in excess of 7 on adaptively refined meshes. Numerical investigations of the scheme's local truncation error demonstrate an achieved order of accuracy between 1.82 and 1.88. Convergence results for the multigrid scheme are presented for both subsonic and transonic test cases and demonstrate W-cycle multigrid convergence rates between 0.84 and 0.94. Preliminary parallel scalability tests on both simple wing and complex complete aircraft geometries shows a computational speedup of 52 on 64 processors using the run-time mesh partitioner.

Exploiting Multiple Levels of Parallelism in Sparse Matrix-Matrix Multiplication

DOE PAGES

Azad, Ariful; Ballard, Grey; Buluc, Aydin; ...

2016-11-08

Sparse matrix-matrix multiplication (or SpGEMM) is a key primitive for many high-performance graph algorithms as well as for some linear solvers, such as algebraic multigrid. The scaling of existing parallel implementations of SpGEMM is heavily bound by communication. Even though 3D (or 2.5D) algorithms have been proposed and theoretically analyzed in the flat MPI model on Erdös-Rényi matrices, those algorithms had not been implemented in practice and their complexities had not been analyzed for the general case. In this work, we present the first implementation of the 3D SpGEMM formulation that exploits multiple (intranode and internode) levels of parallelism, achievingmore » significant speedups over the state-of-the-art publicly available codes at all levels of concurrencies. We extensively evaluate our implementation and identify bottlenecks that should be subject to further research.« less

Final report for “Extreme-scale Algorithms and Solver Resilience”

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gropp, William Douglas

2017-06-30

This is a joint project with principal investigators at Oak Ridge National Laboratory, Sandia National Laboratories, the University of California at Berkeley, and the University of Tennessee. Our part of the project involves developing performance models for highly scalable algorithms and the development of latency tolerant iterative methods. During this project, we extended our performance models for the Multigrid method for solving large systems of linear equations and conducted experiments with highly scalable variants of conjugate gradient methods that avoid blocking synchronization. In addition, we worked with the other members of the project on alternative techniques for resilience and reproducibility.more » We also presented an alternative approach for reproducible dot-products in parallel computations that performs almost as well as the conventional approach by separating the order of computation from the details of the decomposition of vectors across the processes.« less

A scalable, fully implicit algorithm for the reduced two-field low-β extended MHD model

DOE PAGES

Chacon, Luis; Stanier, Adam John

2016-12-01

Here, we demonstrate a scalable fully implicit algorithm for the two-field low-β extended MHD model. This reduced model describes plasma behavior in the presence of strong guide fields, and is of significant practical impact both in nature and in laboratory plasmas. The model displays strong hyperbolic behavior, as manifested by the presence of fast dispersive waves, which make a fully implicit treatment very challenging. In this study, we employ a Jacobian-free Newton–Krylov nonlinear solver, for which we propose a physics-based preconditioner that renders the linearized set of equations suitable for inversion with multigrid methods. As a result, the algorithm ismore » shown to scale both algorithmically (i.e., the iteration count is insensitive to grid refinement and timestep size) and in parallel in a weak-scaling sense, with the wall-clock time scaling weakly with the number of cores for up to 4096 cores. For a 4096 × 4096 mesh, we demonstrate a wall-clock-time speedup of ~6700 with respect to explicit algorithms. The model is validated linearly (against linear theory predictions) and nonlinearly (against fully kinetic simulations), demonstrating excellent agreement.« less

Reprint of Solution of Ambrosio-Tortorelli model for image segmentation by generalized relaxation method

NASA Astrophysics Data System (ADS)

D'Ambra, Pasqua; Tartaglione, Gaetano

2015-04-01

Image segmentation addresses the problem to partition a given image into its constituent objects and then to identify the boundaries of the objects. This problem can be formulated in terms of a variational model aimed to find optimal approximations of a bounded function by piecewise-smooth functions, minimizing a given functional. The corresponding Euler-Lagrange equations are a set of two coupled elliptic partial differential equations with varying coefficients. Numerical solution of the above system often relies on alternating minimization techniques involving descent methods coupled with explicit or semi-implicit finite-difference discretization schemes, which are slowly convergent and poorly scalable with respect to image size. In this work we focus on generalized relaxation methods also coupled with multigrid linear solvers, when a finite-difference discretization is applied to the Euler-Lagrange equations of Ambrosio-Tortorelli model. We show that non-linear Gauss-Seidel, accelerated by inner linear iterations, is an effective method for large-scale image analysis as those arising from high-throughput screening platforms for stem cells targeted differentiation, where one of the main goal is segmentation of thousand of images to analyze cell colonies morphology.

Solution of Ambrosio-Tortorelli model for image segmentation by generalized relaxation method

NASA Astrophysics Data System (ADS)

D'Ambra, Pasqua; Tartaglione, Gaetano

2015-03-01

Image segmentation addresses the problem to partition a given image into its constituent objects and then to identify the boundaries of the objects. This problem can be formulated in terms of a variational model aimed to find optimal approximations of a bounded function by piecewise-smooth functions, minimizing a given functional. The corresponding Euler-Lagrange equations are a set of two coupled elliptic partial differential equations with varying coefficients. Numerical solution of the above system often relies on alternating minimization techniques involving descent methods coupled with explicit or semi-implicit finite-difference discretization schemes, which are slowly convergent and poorly scalable with respect to image size. In this work we focus on generalized relaxation methods also coupled with multigrid linear solvers, when a finite-difference discretization is applied to the Euler-Lagrange equations of Ambrosio-Tortorelli model. We show that non-linear Gauss-Seidel, accelerated by inner linear iterations, is an effective method for large-scale image analysis as those arising from high-throughput screening platforms for stem cells targeted differentiation, where one of the main goal is segmentation of thousand of images to analyze cell colonies morphology.

Factorizable Upwind Schemes: The Triangular Unstructured Grid Formulation

NASA Technical Reports Server (NTRS)

Sidilkover, David; Nielsen, Eric J.

2001-01-01

The upwind factorizable schemes for the equations of fluid were introduced recently. They facilitate achieving the Textbook Multigrid Efficiency (TME) and are expected also to result in the solvers of unparalleled robustness. The approach itself is very general. Therefore, it may well become a general framework for the large-scale, Computational Fluid Dynamics. In this paper we outline the triangular grid formulation of the factorizable schemes. The derivation is based on the fact that the factorizable schemes can be expressed entirely using vector notation. without explicitly mentioning a particular coordinate frame. We, describe the resulting discrete scheme in detail and present some computational results verifying the basic properties of the scheme/solver.

A parallel finite-difference method for computational aerodynamics

NASA Technical Reports Server (NTRS)

Swisshelm, Julie M.

1989-01-01

A finite-difference scheme for solving complex three-dimensional aerodynamic flow on parallel-processing supercomputers is presented. The method consists of a basic flow solver with multigrid convergence acceleration, embedded grid refinements, and a zonal equation scheme. Multitasking and vectorization have been incorporated into the algorithm. Results obtained include multiprocessed flow simulations from the Cray X-MP and Cray-2. Speedups as high as 3.3 for the two-dimensional case and 3.5 for segments of the three-dimensional case have been achieved on the Cray-2. The entire solver attained a factor of 2.7 improvement over its unitasked version on the Cray-2. The performance of the parallel algorithm on each machine is analyzed.

Eigenvalue Solvers for Modeling Nuclear Reactors on Leadership Class Machines

DOE PAGES

Slaybaugh, R. N.; Ramirez-Zweiger, M.; Pandya, Tara; ...

2018-02-20

In this paper, three complementary methods have been implemented in the code Denovo that accelerate neutral particle transport calculations with methods that use leadership-class computers fully and effectively: a multigroup block (MG) Krylov solver, a Rayleigh quotient iteration (RQI) eigenvalue solver, and a multigrid in energy (MGE) preconditioner. The MG Krylov solver converges more quickly than Gauss Seidel and enables energy decomposition such that Denovo can scale to hundreds of thousands of cores. RQI should converge in fewer iterations than power iteration (PI) for large and challenging problems. RQI creates shifted systems that would not be tractable without the MGmore » Krylov solver. It also creates ill-conditioned matrices. The MGE preconditioner reduces iteration count significantly when used with RQI and takes advantage of the new energy decomposition such that it can scale efficiently. Each individual method has been described before, but this is the first time they have been demonstrated to work together effectively. The combination of solvers enables the RQI eigenvalue solver to work better than the other available solvers for large reactors problems on leadership-class machines. Using these methods together, RQI converged in fewer iterations and in less time than PI for a full pressurized water reactor core. These solvers also performed better than an Arnoldi eigenvalue solver for a reactor benchmark problem when energy decomposition is needed. The MG Krylov, MGE preconditioner, and RQI solver combination also scales well in energy. Finally, this solver set is a strong choice for very large and challenging problems.« less

Eigenvalue Solvers for Modeling Nuclear Reactors on Leadership Class Machines

DOE Office of Scientific and Technical Information (OSTI.GOV)

Slaybaugh, R. N.; Ramirez-Zweiger, M.; Pandya, Tara

In this paper, three complementary methods have been implemented in the code Denovo that accelerate neutral particle transport calculations with methods that use leadership-class computers fully and effectively: a multigroup block (MG) Krylov solver, a Rayleigh quotient iteration (RQI) eigenvalue solver, and a multigrid in energy (MGE) preconditioner. The MG Krylov solver converges more quickly than Gauss Seidel and enables energy decomposition such that Denovo can scale to hundreds of thousands of cores. RQI should converge in fewer iterations than power iteration (PI) for large and challenging problems. RQI creates shifted systems that would not be tractable without the MGmore » Krylov solver. It also creates ill-conditioned matrices. The MGE preconditioner reduces iteration count significantly when used with RQI and takes advantage of the new energy decomposition such that it can scale efficiently. Each individual method has been described before, but this is the first time they have been demonstrated to work together effectively. The combination of solvers enables the RQI eigenvalue solver to work better than the other available solvers for large reactors problems on leadership-class machines. Using these methods together, RQI converged in fewer iterations and in less time than PI for a full pressurized water reactor core. These solvers also performed better than an Arnoldi eigenvalue solver for a reactor benchmark problem when energy decomposition is needed. The MG Krylov, MGE preconditioner, and RQI solver combination also scales well in energy. Finally, this solver set is a strong choice for very large and challenging problems.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Paul T.; Shadid, John N.; Tsuji, Paul H.

Here, this study explores the performance and scaling of a GMRES Krylov method employed as a smoother for an algebraic multigrid (AMG) preconditioned Newton- Krylov solution approach applied to a fully-implicit variational multiscale (VMS) nite element (FE) resistive magnetohydrodynamics (MHD) formulation. In this context a Newton iteration is used for the nonlinear system and a Krylov (GMRES) method is employed for the linear subsystems. The efficiency of this approach is critically dependent on the scalability and performance of the AMG preconditioner for the linear solutions and the performance of the smoothers play a critical role. Krylov smoothers are considered inmore » an attempt to reduce the time and memory requirements of existing robust smoothers based on additive Schwarz domain decomposition (DD) with incomplete LU factorization solves on each subdomain. Three time dependent resistive MHD test cases are considered to evaluate the method. The results demonstrate that the GMRES smoother can be faster due to a decrease in the preconditioner setup time and a reduction in outer GMRESR solver iterations, and requires less memory (typically 35% less memory for global GMRES smoother) than the DD ILU smoother.« less

Monolithic multigrid methods for two-dimensional resistive magnetohydrodynamics

DOE PAGES

Adler, James H.; Benson, Thomas R.; Cyr, Eric C.; ...

2016-01-06

Magnetohydrodynamic (MHD) representations are used to model a wide range of plasma physics applications and are characterized by a nonlinear system of partial differential equations that strongly couples a charged fluid with the evolution of electromagnetic fields. The resulting linear systems that arise from discretization and linearization of the nonlinear problem are generally difficult to solve. In this paper, we investigate multigrid preconditioners for this system. We consider two well-known multigrid relaxation methods for incompressible fluid dynamics: Braess--Sarazin relaxation and Vanka relaxation. We first extend these to the context of steady-state one-fluid viscoresistive MHD. Then we compare the two relaxationmore » procedures within a multigrid-preconditioned GMRES method employed within Newton's method. To isolate the effects of the different relaxation methods, we use structured grids, inf-sup stable finite elements, and geometric interpolation. Furthermore, we present convergence and timing results for a two-dimensional, steady-state test problem.« less

Advanced computational simulations of water waves interacting with wave energy converters

NASA Astrophysics Data System (ADS)

Pathak, Ashish; Freniere, Cole; Raessi, Mehdi

2017-03-01

Wave energy converter (WEC) devices harness the renewable ocean wave energy and convert it into useful forms of energy, e.g. mechanical or electrical. This paper presents an advanced 3D computational framework to study the interaction between water waves and WEC devices. The computational tool solves the full Navier-Stokes equations and considers all important effects impacting the device performance. To enable large-scale simulations in fast turnaround times, the computational solver was developed in an MPI parallel framework. A fast multigrid preconditioned solver is introduced to solve the computationally expensive pressure Poisson equation. The computational solver was applied to two surface-piercing WEC geometries: bottom-hinged cylinder and flap. Their numerically simulated response was validated against experimental data. Additional simulations were conducted to investigate the applicability of Froude scaling in predicting full-scale WEC response from the model experiments.

Multigrid methods in structural mechanics

NASA Technical Reports Server (NTRS)

Raju, I. S.; Bigelow, C. A.; Taasan, S.; Hussaini, M. Y.

1986-01-01

Although the application of multigrid methods to the equations of elasticity has been suggested, few such applications have been reported in the literature. In the present work, multigrid techniques are applied to the finite element analysis of a simply supported Bernoulli-Euler beam, and various aspects of the multigrid algorithm are studied and explained in detail. In this study, six grid levels were used to model half the beam. With linear prolongation and sequential ordering, the multigrid algorithm yielded results which were of machine accuracy with work equivalent to 200 standard Gauss-Seidel iterations on the fine grid. Also with linear prolongation and sequential ordering, the V(1,n) cycle with n greater than 2 yielded better convergence rates than the V(n,1) cycle. The restriction and prolongation operators were derived based on energy principles. Conserving energy during the inter-grid transfers required that the prolongation operator be the transpose of the restriction operator, and led to improved convergence rates. With energy-conserving prolongation and sequential ordering, the multigrid algorithm yielded results of machine accuracy with a work equivalent to 45 Gauss-Seidel iterations on the fine grid. The red-black ordering of relaxations yielded solutions of machine accuracy in a single V(1,1) cycle, which required work equivalent to about 4 iterations on the finest grid level.

Performance of a parallel algebraic multilevel preconditioner for stabilized finite element semiconductor device modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Paul T.; Shadid, John N.; Sala, Marzio

In this study results are presented for the large-scale parallel performance of an algebraic multilevel preconditioner for solution of the drift-diffusion model for semiconductor devices. The preconditioner is the key numerical procedure determining the robustness, efficiency and scalability of the fully-coupled Newton-Krylov based, nonlinear solution method that is employed for this system of equations. The coupled system is comprised of a source term dominated Poisson equation for the electric potential, and two convection-diffusion-reaction type equations for the electron and hole concentration. The governing PDEs are discretized in space by a stabilized finite element method. Solution of the discrete system ismore » obtained through a fully-implicit time integrator, a fully-coupled Newton-based nonlinear solver, and a restarted GMRES Krylov linear system solver. The algebraic multilevel preconditioner is based on an aggressive coarsening graph partitioning of the nonzero block structure of the Jacobian matrix. Representative performance results are presented for various choices of multigrid V-cycles and W-cycles and parameter variations for smoothers based on incomplete factorizations. Parallel scalability results are presented for solution of up to 10{sup 8} unknowns on 4096 processors of a Cray XT3/4 and an IBM POWER eServer system.« less

SOME NEW FINITE DIFFERENCE METHODS FOR HELMHOLTZ EQUATIONS ON IRREGULAR DOMAINS OR WITH INTERFACES

PubMed Central

Wan, Xiaohai; Li, Zhilin

2012-01-01

Solving a Helmholtz equation Δu + λu = f efficiently is a challenge for many applications. For example, the core part of many efficient solvers for the incompressible Navier-Stokes equations is to solve one or several Helmholtz equations. In this paper, two new finite difference methods are proposed for solving Helmholtz equations on irregular domains, or with interfaces. For Helmholtz equations on irregular domains, the accuracy of the numerical solution obtained using the existing augmented immersed interface method (AIIM) may deteriorate when the magnitude of λ is large. In our new method, we use a level set function to extend the source term and the PDE to a larger domain before we apply the AIIM. For Helmholtz equations with interfaces, a new maximum principle preserving finite difference method is developed. The new method still uses the standard five-point stencil with modifications of the finite difference scheme at irregular grid points. The resulting coefficient matrix of the linear system of finite difference equations satisfies the sign property of the discrete maximum principle and can be solved efficiently using a multigrid solver. The finite difference method is also extended to handle temporal discretized equations where the solution coefficient λ is inversely proportional to the mesh size. PMID:22701346

SOME NEW FINITE DIFFERENCE METHODS FOR HELMHOLTZ EQUATIONS ON IRREGULAR DOMAINS OR WITH INTERFACES.

PubMed

Wan, Xiaohai; Li, Zhilin

2012-06-01

Solving a Helmholtz equation Δu + λu = f efficiently is a challenge for many applications. For example, the core part of many efficient solvers for the incompressible Navier-Stokes equations is to solve one or several Helmholtz equations. In this paper, two new finite difference methods are proposed for solving Helmholtz equations on irregular domains, or with interfaces. For Helmholtz equations on irregular domains, the accuracy of the numerical solution obtained using the existing augmented immersed interface method (AIIM) may deteriorate when the magnitude of λ is large. In our new method, we use a level set function to extend the source term and the PDE to a larger domain before we apply the AIIM. For Helmholtz equations with interfaces, a new maximum principle preserving finite difference method is developed. The new method still uses the standard five-point stencil with modifications of the finite difference scheme at irregular grid points. The resulting coefficient matrix of the linear system of finite difference equations satisfies the sign property of the discrete maximum principle and can be solved efficiently using a multigrid solver. The finite difference method is also extended to handle temporal discretized equations where the solution coefficient λ is inversely proportional to the mesh size.

Aerodynamic Shape Optimization of Complex Aircraft Configurations via an Adjoint Formulation

NASA Technical Reports Server (NTRS)

Reuther, James; Jameson, Antony; Farmer, James; Martinelli, Luigi; Saunders, David

1996-01-01

This work describes the implementation of optimization techniques based on control theory for complex aircraft configurations. Here control theory is employed to derive the adjoint differential equations, the solution of which allows for a drastic reduction in computational costs over previous design methods (13, 12, 43, 38). In our earlier studies (19, 20, 22, 23, 39, 25, 40, 41, 42) it was shown that this method could be used to devise effective optimization procedures for airfoils, wings and wing-bodies subject to either analytic or arbitrary meshes. Design formulations for both potential flows and flows governed by the Euler equations have been demonstrated, showing that such methods can be devised for various governing equations (39, 25). In our most recent works (40, 42) the method was extended to treat wing-body configurations with a large number of mesh points, verifying that significant computational savings can be gained for practical design problems. In this paper the method is extended for the Euler equations to treat complete aircraft configurations via a new multiblock implementation. New elements include a multiblock-multigrid flow solver, a multiblock-multigrid adjoint solver, and a multiblock mesh perturbation scheme. Two design examples are presented in which the new method is used for the wing redesign of a transonic business jet.

Convergence of Defect-Correction and Multigrid Iterations for Inviscid Flows

NASA Technical Reports Server (NTRS)

Diskin, Boris; Thomas, James L.

2011-01-01

Convergence of multigrid and defect-correction iterations is comprehensively studied within different incompressible and compressible inviscid regimes on high-density grids. Good smoothing properties of the defect-correction relaxation have been shown using both a modified Fourier analysis and a more general idealized-coarse-grid analysis. Single-grid defect correction alone has some slowly converging iterations on grids of medium density. The convergence is especially slow for near-sonic flows and for very low compressible Mach numbers. Additionally, the fast asymptotic convergence seen on medium density grids deteriorates on high-density grids. Certain downstream-boundary modes are very slowly damped on high-density grids. Multigrid scheme accelerates convergence of the slow defect-correction iterations to the extent determined by the coarse-grid correction. The two-level asymptotic convergence rates are stable and significantly below one in most of the regions but slow convergence is noted for near-sonic and very low-Mach compressible flows. Multigrid solver has been applied to the NACA 0012 airfoil and to different flow regimes, such as near-tangency and stagnation. Certain convergence difficulties have been encountered within stagnation regions. Nonetheless, for the airfoil flow, with a sharp trailing-edge, residuals were fast converging for a subcritical flow on a sequence of grids. For supercritical flow, residuals converged slower on some intermediate grids than on the finest grid or the two coarsest grids.

Algebraic multigrid preconditioning within parallel finite-element solvers for 3-D electromagnetic modelling problems in geophysics

NASA Astrophysics Data System (ADS)

Koldan, Jelena; Puzyrev, Vladimir; de la Puente, Josep; Houzeaux, Guillaume; Cela, José María

2014-06-01

We present an elaborate preconditioning scheme for Krylov subspace methods which has been developed to improve the performance and reduce the execution time of parallel node-based finite-element (FE) solvers for 3-D electromagnetic (EM) numerical modelling in exploration geophysics. This new preconditioner is based on algebraic multigrid (AMG) that uses different basic relaxation methods, such as Jacobi, symmetric successive over-relaxation (SSOR) and Gauss-Seidel, as smoothers and the wave front algorithm to create groups, which are used for a coarse-level generation. We have implemented and tested this new preconditioner within our parallel nodal FE solver for 3-D forward problems in EM induction geophysics. We have performed series of experiments for several models with different conductivity structures and characteristics to test the performance of our AMG preconditioning technique when combined with biconjugate gradient stabilized method. The results have shown that, the more challenging the problem is in terms of conductivity contrasts, ratio between the sizes of grid elements and/or frequency, the more benefit is obtained by using this preconditioner. Compared to other preconditioning schemes, such as diagonal, SSOR and truncated approximate inverse, the AMG preconditioner greatly improves the convergence of the iterative solver for all tested models. Also, when it comes to cases in which other preconditioners succeed to converge to a desired precision, AMG is able to considerably reduce the total execution time of the forward-problem code-up to an order of magnitude. Furthermore, the tests have confirmed that our AMG scheme ensures grid-independent rate of convergence, as well as improvement in convergence regardless of how big local mesh refinements are. In addition, AMG is designed to be a black-box preconditioner, which makes it easy to use and combine with different iterative methods. Finally, it has proved to be very practical and efficient in the parallel context.

Multidimensional radiative transfer with multilevel atoms. II. The non-linear multigrid method.

NASA Astrophysics Data System (ADS)

Fabiani Bendicho, P.; Trujillo Bueno, J.; Auer, L.

1997-08-01

A new iterative method for solving non-LTE multilevel radiative transfer (RT) problems in 1D, 2D or 3D geometries is presented. The scheme obtains the self-consistent solution of the kinetic and RT equations at the cost of only a few (<10) formal solutions of the RT equation. It combines, for the first time, non-linear multigrid iteration (Brandt, 1977, Math. Comp. 31, 333; Hackbush, 1985, Multi-Grid Methods and Applications, springer-Verlag, Berlin), an efficient multilevel RT scheme based on Gauss-Seidel iterations (cf. Trujillo Bueno & Fabiani Bendicho, 1995ApJ...455..646T), and accurate short-characteristics formal solution techniques. By combining a valid stopping criterion with a nested-grid strategy a converged solution with the desired true error is automatically guaranteed. Contrary to the current operator splitting methods the very high convergence speed of the new RT method does not deteriorate when the grid spatial resolution is increased. With this non-linear multigrid method non-LTE problems discretized on N grid points are solved in O(N) operations. The nested multigrid RT method presented here is, thus, particularly attractive in complicated multilevel transfer problems where small grid-sizes are required. The properties of the method are analyzed both analytically and with illustrative multilevel calculations for Ca II in 1D and 2D schematic model atmospheres.

Hydrodynamics of suspensions of passive and active rigid particles: a rigid multiblob approach

DOE PAGES

Usabiaga, Florencio Balboa; Kallemov, Bakytzhan; Delmotte, Blaise; ...

2016-01-12

We develop a rigid multiblob method for numerically solving the mobility problem for suspensions of passive and active rigid particles of complex shape in Stokes flow in unconfined, partially confined, and fully confined geometries. As in a number of existing methods, we discretize rigid bodies using a collection of minimally resolved spherical blobs constrained to move as a rigid body, to arrive at a potentially large linear system of equations for the unknown Lagrange multipliers and rigid-body motions. Here we develop a block-diagonal preconditioner for this linear system and show that a standard Krylov solver converges in a modest numbermore » of iterations that is essentially independent of the number of particles. Key to the efficiency of the method is a technique for fast computation of the product of the blob-blob mobility matrix and a vector. For unbounded suspensions, we rely on existing analytical expressions for the Rotne-Prager-Yamakawa tensor combined with a fast multipole method (FMM) to obtain linear scaling in the number of particles. For suspensions sedimented against a single no-slip boundary, we use a direct summation on a graphical processing unit (GPU), which gives quadratic asymptotic scaling with the number of particles. For fully confined domains, such as periodic suspensions or suspensions confined in slit and square channels, we extend a recently developed rigid-body immersed boundary method by B. Kallemov, A. P. S. Bhalla, B. E. Griffith, and A. Donev (Commun. Appl. Math. Comput. Sci. 11 (2016), no. 1, 79-141) to suspensions of freely moving passive or active rigid particles at zero Reynolds number. We demonstrate that the iterative solver for the coupled fluid and rigid-body equations converges in a bounded number of iterations regardless of the system size. In our approach, each iteration only requires a few cycles of a geometric multigrid solver for the Poisson equation, and an application of the block-diagonal preconditioner, leading to linear scaling with the number of particles. We optimize a number of parameters in the iterative solvers and apply our method to a variety of benchmark problems to carefully assess the accuracy of the rigid multiblob approach as a function of the resolution. We also model the dynamics of colloidal particles studied in recent experiments, such as passive boomerangs in a slit channel, as well as a pair of non-Brownian active nanorods sedimented against a wall.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weston, Brian T.

This dissertation focuses on the development of a fully-implicit, high-order compressible ow solver with phase change. The work is motivated by laser-induced phase change applications, particularly by the need to develop large-scale multi-physics simulations of the selective laser melting (SLM) process in metal additive manufacturing (3D printing). Simulations of the SLM process require precise tracking of multi-material solid-liquid-gas interfaces, due to laser-induced melting/ solidi cation and evaporation/condensation of metal powder in an ambient gas. These rapid density variations and phase change processes tightly couple the governing equations, requiring a fully compressible framework to robustly capture the rapid density variations ofmore » the ambient gas and the melting/evaporation of the metal powder. For non-isothermal phase change, the velocity is gradually suppressed through the mushy region by a variable viscosity and Darcy source term model. The governing equations are discretized up to 4th-order accuracy with our reconstructed Discontinuous Galerkin spatial discretization scheme and up to 5th-order accuracy with L-stable fully implicit time discretization schemes (BDF2 and ESDIRK3-5). The resulting set of non-linear equations is solved using a robust Newton-Krylov method, with the Jacobian-free version of the GMRES solver for linear iterations. Due to the sti nes associated with the acoustic waves and thermal and viscous/material strength e ects, preconditioning the GMRES solver is essential. A robust and scalable approximate block factorization preconditioner was developed, which utilizes the velocity-pressure (vP) and velocity-temperature (vT) Schur complement systems. This multigrid block reduction preconditioning technique converges for high CFL/Fourier numbers and exhibits excellent parallel and algorithmic scalability on classic benchmark problems in uid dynamics (lid-driven cavity ow and natural convection heat transfer) as well as for laser-induced phase change problems in 2D and 3D.« less

An installed nacelle design code using a multiblock Euler solver. Volume 1: Theory document

NASA Technical Reports Server (NTRS)

Chen, H. C.

1992-01-01

An efficient multiblock Euler design code was developed for designing a nacelle installed on geometrically complex airplane configurations. This approach employed a design driver based on a direct iterative surface curvature method developed at LaRC. A general multiblock Euler flow solver was used for computing flow around complex geometries. The flow solver used a finite-volume formulation with explicit time-stepping to solve the Euler Equations. It used a multiblock version of the multigrid method to accelerate the convergence of the calculations. The design driver successively updated the surface geometry to reduce the difference between the computed and target pressure distributions. In the flow solver, the change in surface geometry was simulated by applying surface transpiration boundary conditions to avoid repeated grid generation during design iterations. Smoothness of the designed surface was ensured by alternate application of streamwise and circumferential smoothings. The capability and efficiency of the code was demonstrated through the design of both an isolated nacelle and an installed nacelle at various flow conditions. Information on the execution of the computer program is provided in volume 2.

Algebraic multigrid domain and range decomposition (AMG-DD / AMG-RD)*

DOE PAGES

Bank, R.; Falgout, R. D.; Jones, T.; ...

2015-10-29

In modern large-scale supercomputing applications, algebraic multigrid (AMG) is a leading choice for solving matrix equations. However, the high cost of communication relative to that of computation is a concern for the scalability of traditional implementations of AMG on emerging architectures. This paper introduces two new algebraic multilevel algorithms, algebraic multigrid domain decomposition (AMG-DD) and algebraic multigrid range decomposition (AMG-RD), that replace traditional AMG V-cycles with a fully overlapping domain decomposition approach. While the methods introduced here are similar in spirit to the geometric methods developed by Brandt and Diskin [Multigrid solvers on decomposed domains, in Domain Decomposition Methods inmore » Science and Engineering, Contemp. Math. 157, AMS, Providence, RI, 1994, pp. 135--155], Mitchell [Electron. Trans. Numer. Anal., 6 (1997), pp. 224--233], and Bank and Holst [SIAM J. Sci. Comput., 22 (2000), pp. 1411--1443], they differ primarily in that they are purely algebraic: AMG-RD and AMG-DD trade communication for computation by forming global composite “grids” based only on the matrix, not the geometry. (As is the usual AMG convention, “grids” here should be taken only in the algebraic sense, regardless of whether or not it corresponds to any geometry.) Another important distinguishing feature of AMG-RD and AMG-DD is their novel residual communication process that enables effective parallel computation on composite grids, avoiding the all-to-all communication costs of the geometric methods. The main purpose of this paper is to study the potential of these two algebraic methods as possible alternatives to existing AMG approaches for future parallel machines. As a result, this paper develops some theoretical properties of these methods and reports on serial numerical tests of their convergence properties over a spectrum of problem parameters.« less

Large-Scale Parallel Viscous Flow Computations using an Unstructured Multigrid Algorithm

NASA Technical Reports Server (NTRS)

Mavriplis, Dimitri J.

1999-01-01

The development and testing of a parallel unstructured agglomeration multigrid algorithm for steady-state aerodynamic flows is discussed. The agglomeration multigrid strategy uses a graph algorithm to construct the coarse multigrid levels from the given fine grid, similar to an algebraic multigrid approach, but operates directly on the non-linear system using the FAS (Full Approximation Scheme) approach. The scalability and convergence rate of the multigrid algorithm are examined on the SGI Origin 2000 and the Cray T3E. An argument is given which indicates that the asymptotic scalability of the multigrid algorithm should be similar to that of its underlying single grid smoothing scheme. For medium size problems involving several million grid points, near perfect scalability is obtained for the single grid algorithm, while only a slight drop-off in parallel efficiency is observed for the multigrid V- and W-cycles, using up to 128 processors on the SGI Origin 2000, and up to 512 processors on the Cray T3E. For a large problem using 25 million grid points, good scalability is observed for the multigrid algorithm using up to 1450 processors on a Cray T3E, even when the coarsest grid level contains fewer points than the total number of processors.

Numerical Methods for Forward and Inverse Problems in Discontinuous Media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chartier, Timothy P.

The research emphasis under this grant's funding is in the area of algebraic multigrid methods. The research has two main branches: 1) exploring interdisciplinary applications in which algebraic multigrid can make an impact and 2) extending the scope of algebraic multigrid methods with algorithmic improvements that are based in strong analysis.The work in interdisciplinary applications falls primarily in the field of biomedical imaging. Work under this grant demonstrated the effectiveness and robustness of multigrid for solving linear systems that result from highly heterogeneous finite element method models of the human head. The results in this work also give promise tomore » medical advances possible with software that may be developed. Research to extend the scope of algebraic multigrid has been focused in several areas. In collaboration with researchers at the University of Colorado, Lawrence Livermore National Laboratory, and Los Alamos National Laboratory, the PI developed an adaptive multigrid with subcycling via complementary grids. This method has very cheap computing costs per iterate and is showing promise as a preconditioner for conjugate gradient. Recent work with Los Alamos National Laboratory concentrates on developing algorithms that take advantage of the recent advances in adaptive multigrid research. The results of the various efforts in this research could ultimately have direct use and impact to researchers for a wide variety of applications, including, astrophysics, neuroscience, contaminant transport in porous media, bi-domain heart modeling, modeling of tumor growth, and flow in heterogeneous porous media. This work has already led to basic advances in computational mathematics and numerical linear algebra and will continue to do so into the future.« less

Composite solvers for linear saddle point problems arising from the incompressible Stokes equations with highly heterogeneous viscosity structure

NASA Astrophysics Data System (ADS)

Sanan, P.; Schnepp, S. M.; May, D.; Schenk, O.

2014-12-01

Geophysical applications require efficient forward models for non-linear Stokes flow on high resolution spatio-temporal domains. The bottleneck in applying the forward model is solving the linearized, discretized Stokes problem which takes the form of a large, indefinite (saddle point) linear system. Due to the heterogeniety of the effective viscosity in the elliptic operator, devising effective preconditioners for saddle point problems has proven challenging and highly problem-dependent. Nevertheless, at least three approaches show promise for preconditioning these difficult systems in an algorithmically scalable way using multigrid and/or domain decomposition techniques. The first is to work with a hierarchy of coarser or smaller saddle point problems. The second is to use the Schur complement method to decouple and sequentially solve for the pressure and velocity. The third is to use the Schur decomposition to devise preconditioners for the full operator. These involve sub-solves resembling inexact versions of the sequential solve. The choice of approach and sub-methods depends crucially on the motivating physics, the discretization, and available computational resources. Here we examine the performance trade-offs for preconditioning strategies applied to idealized models of mantle convection and lithospheric dynamics, characterized by large viscosity gradients. Due to the arbitrary topological structure of the viscosity field in geodynamical simulations, we utilize low order, inf-sup stable mixed finite element spatial discretizations which are suitable when sharp viscosity variations occur in element interiors. Particular attention is paid to possibilities within the decoupled and approximate Schur complement factorization-based monolithic approaches to leverage recently-developed flexible, communication-avoiding, and communication-hiding Krylov subspace methods in combination with `heavy' smoothers, which require solutions of large per-node sub-problems, well-suited to solution on hybrid computational clusters. To manage the combinatorial explosion of solver options (which include hybridizations of all the approaches mentioned above), we leverage the modularity of the PETSc library.

A Multigrid Approach to Embedded-Grid Solvers

DTIC Science & Technology

1992-08-01

previously as a Master’s Thesis at the University of Florida. Not edited by TESCO , Inc. 12a. DISTRIBUTION / AVAILABILITY STATEMENT 12b. DISTRIBUTION CODE...domain decomposition techniques in order to accurately model the aerodynamics of complex geometries 𔃾, 5, 11, 12, 13, 24’. Although these high...quantities subscripted by oc denote reference values in the undisturbed gas. Uv v, e e P - (10) Where • = (7b,/•)1/2, is the speed of sound in the

A geometric multigrid preconditioning strategy for DPG system matrices

DOE PAGES

Roberts, Nathan V.; Chan, Jesse

2017-08-23

Here, the discontinuous Petrov–Galerkin (DPG) methodology of Demkowicz and Gopalakrishnan (2010, 2011) guarantees the optimality of the solution in an energy norm, and provides several features facilitating adaptive schemes. A key question that has not yet been answered in general – though there are some results for Poisson, e.g.– is how best to precondition the DPG system matrix, so that iterative solvers may be used to allow solution of large-scale problems.

Development of an efficient multigrid method for the NEM form of the multigroup neutron diffusion equation

NASA Astrophysics Data System (ADS)

Al-Chalabi, Rifat M. Khalil

1997-09-01

Development of an improvement to the computational efficiency of the existing nested iterative solution strategy of the Nodal Exapansion Method (NEM) nodal based neutron diffusion code NESTLE is presented. The improvement in the solution strategy is the result of developing a multilevel acceleration scheme that does not suffer from the numerical stalling associated with a number of iterative solution methods. The acceleration scheme is based on the multigrid method, which is specifically adapted for incorporation into the NEM nonlinear iterative strategy. This scheme optimizes the computational interplay between the spatial discretization and the NEM nonlinear iterative solution process through the use of the multigrid method. The combination of the NEM nodal method, calculation of the homogenized, neutron nodal balance coefficients (i.e. restriction operator), efficient underlying smoothing algorithm (power method of NESTLE), and the finer mesh reconstruction algorithm (i.e. prolongation operator), all operating on a sequence of coarser spatial nodes, constitutes the multilevel acceleration scheme employed in this research. Two implementations of the multigrid method into the NESTLE code were examined; the Imbedded NEM Strategy and the Imbedded CMFD Strategy. The main difference in implementation between the two methods is that in the Imbedded NEM Strategy, the NEM solution is required at every MG level. Numerical tests have shown that the Imbedded NEM Strategy suffers from divergence at coarse- grid levels, hence all the results for the different benchmarks presented here were obtained using the Imbedded CMFD Strategy. The novelties in the developed MG method are as follows: the formulation of the restriction and prolongation operators, and the selection of the relaxation method. The restriction operator utilizes a variation of the reactor physics, consistent homogenization technique. The prolongation operator is based upon a variant of the pin power reconstruction methodology. The relaxation method, which is the power method, utilizes a constant coefficient matrix within the NEM non-linear iterative strategy. The choice of the MG nesting within the nested iterative strategy enables the incorporation of other non-linear effects with no additional coding effort. In addition, if an eigenvalue problem is being solved, it remains an eigenvalue problem at all grid levels, simplifying coding implementation. The merit of the developed MG method was tested by incorporating it into the NESTLE iterative solver, and employing it to solve four different benchmark problems. In addition to the base cases, three different sensitivity studies are performed, examining the effects of number of MG levels, homogenized coupling coefficients correction (i.e. restriction operator), and fine-mesh reconstruction algorithm (i.e. prolongation operator). The multilevel acceleration scheme developed in this research provides the foundation for developing adaptive multilevel acceleration methods for steady-state and transient NEM nodal neutron diffusion equations. (Abstract shortened by UMI.)

On a multigrid method for the coupled Stokes and porous media flow problem

NASA Astrophysics Data System (ADS)

Luo, P.; Rodrigo, C.; Gaspar, F. J.; Oosterlee, C. W.

2017-07-01

The multigrid solution of coupled porous media and Stokes flow problems is considered. The Darcy equation as the saturated porous medium model is coupled to the Stokes equations by means of appropriate interface conditions. We focus on an efficient multigrid solution technique for the coupled problem, which is discretized by finite volumes on staggered grids, giving rise to a saddle point linear system. Special treatment is required regarding the discretization at the interface. An Uzawa smoother is employed in multigrid, which is a decoupled procedure based on symmetric Gauss-Seidel smoothing for velocity components and a simple Richardson iteration for the pressure field. Since a relaxation parameter is part of a Richardson iteration, Local Fourier Analysis (LFA) is applied to determine the optimal parameters. Highly satisfactory multigrid convergence is reported, and, moreover, the algorithm performs well for small values of the hydraulic conductivity and fluid viscosity, that are relevant for applications.

New Multigrid Method Including Elimination Algolithm Based on High-Order Vector Finite Elements in Three Dimensional Magnetostatic Field Analysis

NASA Astrophysics Data System (ADS)

Hano, Mitsuo; Hotta, Masashi

A new multigrid method based on high-order vector finite elements is proposed in this paper. Low level discretizations in this method are obtained by using low-order vector finite elements for the same mesh. Gauss-Seidel method is used as a smoother, and a linear equation of lowest level is solved by ICCG method. But it is often found that multigrid solutions do not converge into ICCG solutions. An elimination algolithm of constant term using a null space of the coefficient matrix is also described. In three dimensional magnetostatic field analysis, convergence time and number of iteration of this multigrid method are discussed with the convectional ICCG method.

A general multiblock Euler code for propulsion integration. Volume 1: Theory document

NASA Technical Reports Server (NTRS)

Chen, H. C.; Su, T. Y.; Kao, T. J.

1991-01-01

A general multiblock Euler solver was developed for the analysis of flow fields over geometrically complex configurations either in free air or in a wind tunnel. In this approach, the external space around a complex configuration was divided into a number of topologically simple blocks, so that surface-fitted grids and an efficient flow solution algorithm could be easily applied in each block. The computational grid in each block is generated using a combination of algebraic and elliptic methods. A grid generation/flow solver interface program was developed to facilitate the establishment of block-to-block relations and the boundary conditions for each block. The flow solver utilizes a finite volume formulation and an explicit time stepping scheme to solve the Euler equations. A multiblock version of the multigrid method was developed to accelerate the convergence of the calculations. The generality of the method was demonstrated through the analysis of two complex configurations at various flow conditions. Results were compared to available test data. Two accompanying volumes, user manuals for the preparation of multi-block grids (vol. 2) and for the Euler flow solver (vol. 3), provide information on input data format and program execution.

Construction, classification and parametrization of complex Hadamard matrices

NASA Astrophysics Data System (ADS)

Szöllősi, Ferenc

To improve the design of nuclear systems, high-fidelity neutron fluxes are required. Leadership-class machines provide platforms on which very large problems can be solved. Computing such fluxes efficiently requires numerical methods with good convergence properties and algorithms that can scale to hundreds of thousands of cores. Many 3-D deterministic transport codes are decomposable in space and angle only, limiting them to tens of thousands of cores. Most codes rely on methods such as Gauss Seidel for fixed source problems and power iteration for eigenvalue problems, which can be slow to converge for challenging problems like those with highly scattering materials or high dominance ratios. Three methods have been added to the 3-D SN transport code Denovo that are designed to improve convergence and enable the full use of cutting-edge computers. The first is a multigroup Krylov solver that converges more quickly than Gauss Seidel and parallelizes the code in energy such that Denovo can use hundreds of thousand of cores effectively. The second is Rayleigh quotient iteration (RQI), an old method applied in a new context. This eigenvalue solver finds the dominant eigenvalue in a mathematically optimal way and should converge in fewer iterations than power iteration. RQI creates energy-block-dense equations that the new Krylov solver treats efficiently. However, RQI can have convergence problems because it creates poorly conditioned systems. This can be overcome with preconditioning. The third method is a multigrid-in-energy preconditioner. The preconditioner takes advantage of the new energy decomposition because the grids are in energy rather than space or angle. The preconditioner greatly reduces iteration count for many problem types and scales well in energy. It also allows RQI to be successful for problems it could not solve otherwise. The methods added to Denovo accomplish the goals of this work. They converge in fewer iterations than traditional methods and enable the use of hundreds of thousands of cores. Each method can be used individually, with the multigroup Krylov solver and multigrid-in-energy preconditioner being particularly successful on their own. The largest benefit, though, comes from using these methods in concert.

Efficiency Analysis of the Parallel Implementation of the SIMPLE Algorithm on Multiprocessor Computers

NASA Astrophysics Data System (ADS)

Lashkin, S. V.; Kozelkov, A. S.; Yalozo, A. V.; Gerasimov, V. Yu.; Zelensky, D. K.

2017-12-01

This paper describes the details of the parallel implementation of the SIMPLE algorithm for numerical solution of the Navier-Stokes system of equations on arbitrary unstructured grids. The iteration schemes for the serial and parallel versions of the SIMPLE algorithm are implemented. In the description of the parallel implementation, special attention is paid to computational data exchange among processors under the condition of the grid model decomposition using fictitious cells. We discuss the specific features for the storage of distributed matrices and implementation of vector-matrix operations in parallel mode. It is shown that the proposed way of matrix storage reduces the number of interprocessor exchanges. A series of numerical experiments illustrates the effect of the multigrid SLAE solver tuning on the general efficiency of the algorithm; the tuning involves the types of the cycles used (V, W, and F), the number of iterations of a smoothing operator, and the number of cells for coarsening. Two ways (direct and indirect) of efficiency evaluation for parallelization of the numerical algorithm are demonstrated. The paper presents the results of solving some internal and external flow problems with the evaluation of parallelization efficiency by two algorithms. It is shown that the proposed parallel implementation enables efficient computations for the problems on a thousand processors. Based on the results obtained, some general recommendations are made for the optimal tuning of the multigrid solver, as well as for selecting the optimal number of cells per processor.

Thin-layer and full Navier-Stokes calculations for turbulent supersonic flow over a cone at an angle of attack

NASA Technical Reports Server (NTRS)

Smith, Crawford F.; Podleski, Steve D.

1993-01-01

The proper use of a computational fluid dynamics code requires a good understanding of the particular code being applied. In this report the application of CFL3D, a thin-layer Navier-Stokes code, is compared with the results obtained from PARC3D, a full Navier-Stokes code. In order to gain an understanding of the use of this code, a simple problem was chosen in which several key features of the code could be exercised. The problem chosen is a cone in supersonic flow at an angle of attack. The issues of grid resolution, grid blocking, and multigridding with CFL3D are explored. The use of multigridding resulted in a significant reduction in the computational time required to solve the problem. Solutions obtained are compared with the results using the full Navier-Stokes equations solver PARC3D. The results obtained with the CFL3D code compared well with the PARC3D solutions.

Integration of the shallow water equations on the sphere using a vector semi-Lagrangian scheme with a multigrid solver

NASA Technical Reports Server (NTRS)

Bates, J. R.; Semazzi, F. H. M.; Higgins, R. W.; Barros, Saulo R. M.

1990-01-01

A vector semi-Lagrangian semi-implicit two-time-level finite-difference integration scheme for the shallow water equations on the sphere is presented. A C-grid is used for the spatial differencing. The trajectory-centered discretization of the momentum equation in vector form eliminates pole problems and, at comparable cost, gives greater accuracy than a previous semi-Lagrangian finite-difference scheme which used a rotated spherical coordinate system. In terms of the insensitivity of the results to increasing timestep, the new scheme is as successful as recent spectral semi-Lagrangian schemes. In addition, the use of a multigrid method for solving the elliptic equation for the geopotential allows efficient integration with an operation count which, at high resolution, is of lower order than in the case of the spectral models. The properties of the new scheme should allow finite-difference models to compete with spectral models more effectively than has previously been possible.

On the scalability of the Albany/FELIX first-order Stokes approximation ice sheet solver for large-scale simulations of the Greenland and Antarctic ice sheets

DOE PAGES

Tezaur, Irina K.; Tuminaro, Raymond S.; Perego, Mauro; ...

2015-01-01

We examine the scalability of the recently developed Albany/FELIX finite-element based code for the first-order Stokes momentum balance equations for ice flow. We focus our analysis on the performance of two possible preconditioners for the iterative solution of the sparse linear systems that arise from the discretization of the governing equations: (1) a preconditioner based on the incomplete LU (ILU) factorization, and (2) a recently-developed algebraic multigrid (AMG) preconditioner, constructed using the idea of semi-coarsening. A strong scalability study on a realistic, high resolution Greenland ice sheet problem reveals that, for a given number of processor cores, the AMG preconditionermore » results in faster linear solve times but the ILU preconditioner exhibits better scalability. In addition, a weak scalability study is performed on a realistic, moderate resolution Antarctic ice sheet problem, a substantial fraction of which contains floating ice shelves, making it fundamentally different from the Greenland ice sheet problem. We show that as the problem size increases, the performance of the ILU preconditioner deteriorates whereas the AMG preconditioner maintains scalability. This is because the linear systems are extremely ill-conditioned in the presence of floating ice shelves, and the ill-conditioning has a greater negative effect on the ILU preconditioner than on the AMG preconditioner.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gearhart, Jared Lee; Adair, Kristin Lynn; Durfee, Justin David.

When developing linear programming models, issues such as budget limitations, customer requirements, or licensing may preclude the use of commercial linear programming solvers. In such cases, one option is to use an open-source linear programming solver. A survey of linear programming tools was conducted to identify potential open-source solvers. From this survey, four open-source solvers were tested using a collection of linear programming test problems and the results were compared to IBM ILOG CPLEX Optimizer (CPLEX) [1], an industry standard. The solvers considered were: COIN-OR Linear Programming (CLP) [2], [3], GNU Linear Programming Kit (GLPK) [4], lp_solve [5] and Modularmore » In-core Nonlinear Optimization System (MINOS) [6]. As no open-source solver outperforms CPLEX, this study demonstrates the power of commercial linear programming software. CLP was found to be the top performing open-source solver considered in terms of capability and speed. GLPK also performed well but cannot match the speed of CLP or CPLEX. lp_solve and MINOS were considerably slower and encountered issues when solving several test problems.« less

Adaptive Mesh Refinement in Curvilinear Body-Fitted Grid Systems

NASA Technical Reports Server (NTRS)

Steinthorsson, Erlendur; Modiano, David; Colella, Phillip

1995-01-01

To be truly compatible with structured grids, an AMR algorithm should employ a block structure for the refined grids to allow flow solvers to take advantage of the strengths of unstructured grid systems, such as efficient solution algorithms for implicit discretizations and multigrid schemes. One such algorithm, the AMR algorithm of Berger and Colella, has been applied to and adapted for use with body-fitted structured grid systems. Results are presented for a transonic flow over a NACA0012 airfoil (AGARD-03 test case) and a reflection of a shock over a double wedge.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grout, Ray W. S.

Convergence of spectral deferred correction (SDC), where low-order time integration methods are used to construct higher-order methods through iterative refinement, can be accelerated in terms of computational effort by using mixed-precision methods. Using ideas from multi-level SDC (in turn based on FAS multigrid ideas), some of the SDC correction sweeps can use function values computed in reduced precision without adversely impacting the accuracy of the final solution. This is particularly beneficial for the performance of combustion solvers such as S3D [6] which require double precision accuracy but are performance limited by the cost of data motion.

An efficient and robust algorithm for two dimensional time dependent incompressible Navier-Stokes equations: High Reynolds number flows

NASA Technical Reports Server (NTRS)

Goodrich, John W.

1991-01-01

An algorithm is presented for unsteady two-dimensional incompressible Navier-Stokes calculations. This algorithm is based on the fourth order partial differential equation for incompressible fluid flow which uses the streamfunction as the only dependent variable. The algorithm is second order accurate in both time and space. It uses a multigrid solver at each time step. It is extremely efficient with respect to the use of both CPU time and physical memory. It is extremely robust with respect to Reynolds number.

Adaptive Meshing Techniques for Viscous Flow Calculations on Mixed Element Unstructured Meshes

NASA Technical Reports Server (NTRS)

Mavriplis, D. J.

1997-01-01

An adaptive refinement strategy based on hierarchical element subdivision is formulated and implemented for meshes containing arbitrary mixtures of tetrahendra, hexahendra, prisms and pyramids. Special attention is given to keeping memory overheads as low as possible. This procedure is coupled with an algebraic multigrid flow solver which operates on mixed-element meshes. Inviscid flows as well as viscous flows are computed an adaptively refined tetrahedral, hexahedral, and hybrid meshes. The efficiency of the method is demonstrated by generating an adapted hexahedral mesh containing 3 million vertices on a relatively inexpensive workstation.

Full Multigrid Flow Solver

NASA Technical Reports Server (NTRS)

Mineck, Raymond E.; Thomas, James L.; Biedron, Robert T.; Diskin, Boris

2005-01-01

FMG3D (full multigrid 3 dimensions) is a pilot computer program that solves equations of fluid flow using a finite difference representation on a structured grid. Infrastructure exists for three dimensions but the current implementation treats only two dimensions. Written in Fortran 90, FMG3D takes advantage of the recursive subroutine feature, dynamic memory allocation, and structured-programming constructs of that language. FMG3D supports multi-block grids with three types of block-to-block interfaces: periodic, C-zero, and C-infinity. For all three types, grid points must match at interfaces. For periodic and C-infinity types, derivatives of grid metrics must be continuous at interfaces. The available equation sets are as follows: scalar elliptic equations, scalar convection equations, and the pressure-Poisson formulation of the Navier-Stokes equations for an incompressible fluid. All the equation sets are implemented with nonzero forcing functions to enable the use of user-specified solutions to assist in verification and validation. The equations are solved with a full multigrid scheme using a full approximation scheme to converge the solution on each succeeding grid level. Restriction to the next coarser mesh uses direct injection for variables and full weighting for residual quantities; prolongation of the coarse grid correction from the coarse mesh to the fine mesh uses bilinear interpolation; and prolongation of the coarse grid solution uses bicubic interpolation.

Parallel computation of three-dimensional aeroelastic fluid-structure interaction

NASA Astrophysics Data System (ADS)

Sadeghi, Mani

This dissertation presents a numerical method for the parallel computation of aeroelasticity (ParCAE). A flow solver is coupled to a structural solver by use of a fluid-structure interface method. The integration of the three-dimensional unsteady Navier-Stokes equations is performed in the time domain, simultaneously to the integration of a modal three-dimensional structural model. The flow solution is accelerated by using a multigrid method and a parallel multiblock approach. Fluid-structure coupling is achieved by subiteration. A grid-deformation algorithm is developed to interpolate the deformation of the structural boundaries onto the flow grid. The code is formulated to allow application to general, three-dimensional, complex configurations with multiple independent structures. Computational results are presented for various configurations, such as turbomachinery blade rows and aircraft wings. Investigations are performed on vortex-induced vibrations, effects of cascade mistuning on flutter, and cases of nonlinear cascade and wing flutter.

Developing and utilizing an Euler computational method for predicting the airframe/propulsion effects for an aft-mounted turboprop transport. Volume 1: Theory document

NASA Technical Reports Server (NTRS)

Chen, H. C.; Yu, N. Y.

1991-01-01

An Euler flow solver was developed for predicting the airframe/propulsion integration effects for an aft-mounted turboprop transport. This solver employs a highly efficient multigrid scheme, with a successive mesh-refinement procedure to accelerate the convergence of the solution. A new dissipation model was also implemented to render solutions that are grid insensitive. The propeller power effects are simulated by the actuator disk concept. An embedded flow solution method was developed for predicting the detailed flow characteristics in the local vicinity of an aft-mounted propfan engine in the presence of a flow field induced by a complete aircraft. Results from test case analysis are presented. A user's guide for execution of computer programs, including format of various input files, sample job decks, and sample input files, is provided in an accompanying volume.

Multiscale solvers and systematic upscaling in computational physics

NASA Astrophysics Data System (ADS)

Brandt, A.

2005-07-01

Multiscale algorithms can overcome the scale-born bottlenecks that plague most computations in physics. These algorithms employ separate processing at each scale of the physical space, combined with interscale iterative interactions, in ways which use finer scales very sparingly. Having been developed first and well known as multigrid solvers for partial differential equations, highly efficient multiscale techniques have more recently been developed for many other types of computational tasks, including: inverse PDE problems; highly indefinite (e.g., standing wave) equations; Dirac equations in disordered gauge fields; fast computation and updating of large determinants (as needed in QCD); fast integral transforms; integral equations; astrophysics; molecular dynamics of macromolecules and fluids; many-atom electronic structures; global and discrete-state optimization; practical graph problems; image segmentation and recognition; tomography (medical imaging); fast Monte-Carlo sampling in statistical physics; and general, systematic methods of upscaling (accurate numerical derivation of large-scale equations from microscopic laws).

Multigrid methods for isogeometric discretization

PubMed Central

Gahalaut, K.P.S.; Kraus, J.K.; Tomar, S.K.

2013-01-01

We present (geometric) multigrid methods for isogeometric discretization of scalar second order elliptic problems. The smoothing property of the relaxation method, and the approximation property of the intergrid transfer operators are analyzed. These properties, when used in the framework of classical multigrid theory, imply uniform convergence of two-grid and multigrid methods. Supporting numerical results are provided for the smoothing property, the approximation property, convergence factor and iterations count for V-, W- and F-cycles, and the linear dependence of V-cycle convergence on the smoothing steps. For two dimensions, numerical results include the problems with variable coefficients, simple multi-patch geometry, a quarter annulus, and the dependence of convergence behavior on refinement levels ℓ, whereas for three dimensions, only the constant coefficient problem in a unit cube is considered. The numerical results are complete up to polynomial order p=4, and for C0 and Cp-1 smoothness. PMID:24511168

Large calculation of the flow over a hypersonic vehicle using a GPU

NASA Astrophysics Data System (ADS)

Elsen, Erich; LeGresley, Patrick; Darve, Eric

2008-12-01

Graphics processing units are capable of impressive computing performance up to 518 Gflops peak performance. Various groups have been using these processors for general purpose computing; most efforts have focussed on demonstrating relatively basic calculations, e.g. numerical linear algebra, or physical simulations for visualization purposes with limited accuracy. This paper describes the simulation of a hypersonic vehicle configuration with detailed geometry and accurate boundary conditions using the compressible Euler equations. To the authors' knowledge, this is the most sophisticated calculation of this kind in terms of complexity of the geometry, the physical model, the numerical methods employed, and the accuracy of the solution. The Navier-Stokes Stanford University Solver (NSSUS) was used for this purpose. NSSUS is a multi-block structured code with a provably stable and accurate numerical discretization which uses a vertex-based finite-difference method. A multi-grid scheme is used to accelerate the solution of the system. Based on a comparison of the Intel Core 2 Duo and NVIDIA 8800GTX, speed-ups of over 40× were demonstrated for simple test geometries and 20× for complex geometries.

Three dimensional unstructured multigrid for the Euler equations

NASA Technical Reports Server (NTRS)

Mavriplis, D. J.

1991-01-01

The three dimensional Euler equations are solved on unstructured tetrahedral meshes using a multigrid strategy. The driving algorithm consists of an explicit vertex-based finite element scheme, which employs an edge-based data structure to assemble the residuals. The multigrid approach employs a sequence of independently generated coarse and fine meshes to accelerate the convergence to steady-state of the fine grid solution. Variables, residuals and corrections are passed back and forth between the various grids of the sequence using linear interpolation. The addresses and weights for interpolation are determined in a preprocessing stage using linear interpolation. The addresses and weights for interpolation are determined in a preprocessing stage using an efficient graph traversal algorithm. The preprocessing operation is shown to require a negligible fraction of the CPU time required by the overall solution procedure, while gains in overall solution efficiencies greater than an order of magnitude are demonstrated on meshes containing up to 350,000 vertices. Solutions using globally regenerated fine meshes as well as adaptively refined meshes are given.

An automatic multigrid method for the solution of sparse linear systems

NASA Technical Reports Server (NTRS)

Shapira, Yair; Israeli, Moshe; Sidi, Avram

1993-01-01

An automatic version of the multigrid method for the solution of linear systems arising from the discretization of elliptic PDE's is presented. This version is based on the structure of the algebraic system solely, and does not use the original partial differential operator. Numerical experiments show that for the Poisson equation the rate of convergence of our method is equal to that of classical multigrid methods. Moreover, the method is robust in the sense that its high rate of convergence is conserved for other classes of problems: non-symmetric, hyperbolic (even with closed characteristics) and problems on non-uniform grids. No double discretization or special treatment of sub-domains (e.g. boundaries) is needed. When supplemented with a vector extrapolation method, high rates of convergence are achieved also for anisotropic and discontinuous problems and also for indefinite Helmholtz equations. A new double discretization strategy is proposed for finite and spectral element schemes and is found better than known strategies.

High order spectral volume and spectral difference methods on unstructured grids

NASA Astrophysics Data System (ADS)

Kannan, Ravishekar

The spectral volume (SV) and the spectral difference (SD) methods were developed by Wang and Liu and their collaborators for conservation laws on unstructured grids. They were introduced to achieve high-order accuracy in an efficient manner. Recently, these methods were extended to three-dimensional systems and to the Navier Stokes equations. The simplicity and robustness of these methods have made them competitive against other higher order methods such as the discontinuous Galerkin and residual distribution methods. Although explicit TVD Runge-Kutta schemes for the temporal advancement are easy to implement, they suffer from small time step limited by the Courant-Friedrichs-Lewy (CFL) condition. When the polynomial order is high or when the grid is stretched due to complex geometries or boundary layers, the convergence rate of explicit schemes slows down rapidly. Solution strategies to remedy this problem include implicit methods and multigrid methods. A novel implicit lower-upper symmetric Gauss-Seidel (LU-SGS) relaxation method is employed as an iterative smoother. It is compared to the explicit TVD Runge-Kutta smoothers. For some p-multigrid calculations, combining implicit and explicit smoothers for different p-levels is also studied. The multigrid method considered is nonlinear and uses Full Approximation Scheme (FAS). An overall speed-up factor of up to 150 is obtained using a three-level p-multigrid LU-SGS approach in comparison with the single level explicit method for the Euler equations for the 3rd order SD method. A study of viscous flux formulations was carried out for the SV method. Three formulations were used to discretize the viscous fluxes: local discontinuous Galerkin (LDG), a penalty method and the 2nd method of Bassi and Rebay. Fourier analysis revealed some interesting advantages for the penalty method. These were implemented in the Navier Stokes solver. An implicit and p-multigrid method was also implemented for the above. An overall speed-up factor of up to 1500 is obtained using a three-level p-multigrid LU-SGS approach in comparison with the single level explicit method for the Navier-Stokes equations. The SV method was also extended to turbulent flows. The RANS based SA model was used to close the Reynolds stresses. The numerical results are very promising and indicate that the approaches have great potentials for 3D flow problems.

Three-dimensional forward modeling of DC resistivity using the aggregation-based algebraic multigrid method

NASA Astrophysics Data System (ADS)

Chen, Hui; Deng, Ju-Zhi; Yin, Min; Yin, Chang-Chun; Tang, Wen-Wu

2017-03-01

To speed up three-dimensional (3D) DC resistivity modeling, we present a new multigrid method, the aggregation-based algebraic multigrid method (AGMG). We first discretize the differential equation of the secondary potential field with mixed boundary conditions by using a seven-point finite-difference method to obtain a large sparse system of linear equations. Then, we introduce the theory behind the pairwise aggregation algorithms for AGMG and use the conjugate-gradient method with the V-cycle AGMG preconditioner (AGMG-CG) to solve the linear equations. We use typical geoelectrical models to test the proposed AGMG-CG method and compare the results with analytical solutions and the 3DDCXH algorithm for 3D DC modeling (3DDCXH). In addition, we apply the AGMG-CG method to different grid sizes and geoelectrical models and compare it to different iterative methods, such as ILU-BICGSTAB, ILU-GCR, and SSOR-CG. The AGMG-CG method yields nearly linearly decreasing errors, whereas the number of iterations increases slowly with increasing grid size. The AGMG-CG method is precise and converges fast, and thus can improve the computational efficiency in forward modeling of three-dimensional DC resistivity.

Multi-Level Adaptive Techniques (MLAT) for singular-perturbation problems

NASA Technical Reports Server (NTRS)

Brandt, A.

1978-01-01

The multilevel (multigrid) adaptive technique, a general strategy of solving continuous problems by cycling between coarser and finer levels of discretization is described. It provides very fast general solvers, together with adaptive, nearly optimal discretization schemes. In the process, boundary layers are automatically either resolved or skipped, depending on a control function which expresses the computational goal. The global error decreases exponentially as a function of the overall computational work, in a uniform rate independent of the magnitude of the singular-perturbation terms. The key is high-order uniformly stable difference equations, and uniformly smoothing relaxation schemes.

Preconditioned augmented Lagrangian formulation for nearly incompressible cardiac mechanics.

PubMed

Campos, Joventino Oliveira; Dos Santos, Rodrigo Weber; Sundnes, Joakim; Rocha, Bernardo Martins

2018-04-01

Computational modeling of the heart is a subject of substantial medical and scientific interest, which may contribute to increase the understanding of several phenomena associated with cardiac physiological and pathological states. Modeling the mechanics of the heart have led to considerable insights, but it still represents a complex and a demanding computational problem, especially in a strongly coupled electromechanical setting. Passive cardiac tissue is commonly modeled as hyperelastic and is characterized by quasi-incompressible, orthotropic, and nonlinear material behavior. These factors are known to be very challenging for the numerical solution of the model. The near-incompressibility is known to cause numerical issues such as the well-known locking phenomenon and ill-conditioning of the stiffness matrix. In this work, the augmented Lagrangian method is used to handle the nearly incompressible condition. This approach can potentially improve computational performance by reducing the condition number of the stiffness matrix and thereby improving the convergence of iterative solvers. We also improve the performance of iterative solvers by the use of an algebraic multigrid preconditioner. Numerical results of the augmented Lagrangian method combined with a preconditioned iterative solver for a cardiac mechanics benchmark suite are presented to show its improved performance. Copyright © 2017 John Wiley & Sons, Ltd.

An integrated runtime and compile-time approach for parallelizing structured and block structured applications

NASA Technical Reports Server (NTRS)

Agrawal, Gagan; Sussman, Alan; Saltz, Joel

1993-01-01

Scientific and engineering applications often involve structured meshes. These meshes may be nested (for multigrid codes) and/or irregularly coupled (called multiblock or irregularly coupled regular mesh problems). A combined runtime and compile-time approach for parallelizing these applications on distributed memory parallel machines in an efficient and machine-independent fashion was described. A runtime library which can be used to port these applications on distributed memory machines was designed and implemented. The library is currently implemented on several different systems. To further ease the task of application programmers, methods were developed for integrating this runtime library with compilers for HPK-like parallel programming languages. How this runtime library was integrated with the Fortran 90D compiler being developed at Syracuse University is discussed. Experimental results to demonstrate the efficacy of our approach are presented. A multiblock Navier-Stokes solver template and a multigrid code were experimented with. Our experimental results show that our primitives have low runtime communication overheads. Further, the compiler parallelized codes perform within 20 percent of the code parallelized by manually inserting calls to the runtime library.

High Resolution Aerospace Applications using the NASA Columbia Supercomputer

NASA Technical Reports Server (NTRS)

Mavriplis, Dimitri J.; Aftosmis, Michael J.; Berger, Marsha

2005-01-01

This paper focuses on the parallel performance of two high-performance aerodynamic simulation packages on the newly installed NASA Columbia supercomputer. These packages include both a high-fidelity, unstructured, Reynolds-averaged Navier-Stokes solver, and a fully-automated inviscid flow package for cut-cell Cartesian grids. The complementary combination of these two simulation codes enables high-fidelity characterization of aerospace vehicle design performance over the entire flight envelope through extensive parametric analysis and detailed simulation of critical regions of the flight envelope. Both packages. are industrial-level codes designed for complex geometry and incorpor.ats. CuStomized multigrid solution algorithms. The performance of these codes on Columbia is examined using both MPI and OpenMP and using both the NUMAlink and InfiniBand interconnect fabrics. Numerical results demonstrate good scalability on up to 2016 CPUs using the NUMAIink4 interconnect, with measured computational rates in the vicinity of 3 TFLOP/s, while InfiniBand showed some performance degradation at high CPU counts, particularly with multigrid. Nonetheless, the results are encouraging enough to indicate that larger test cases using combined MPI/OpenMP communication should scale well on even more processors.

Distributed Relaxation for Conservative Discretizations

NASA Technical Reports Server (NTRS)

Diskin, Boris; Thomas, James L.

2001-01-01

A multigrid method is defined as having textbook multigrid efficiency (TME) if the solutions to the governing system of equations are attained in a computational work that is a small (less than 10) multiple of the operation count in one target-grid residual evaluation. The way to achieve this efficiency is the distributed relaxation approach. TME solvers employing distributed relaxation have already been demonstrated for nonconservative formulations of high-Reynolds-number viscous incompressible and subsonic compressible flow regimes. The purpose of this paper is to provide foundations for applications of distributed relaxation to conservative discretizations. A direct correspondence between the primitive variable interpolations for calculating fluxes in conservative finite-volume discretizations and stencils of the discretized derivatives in the nonconservative formulation has been established. Based on this correspondence, one can arrive at a conservative discretization which is very efficiently solved with a nonconservative relaxation scheme and this is demonstrated for conservative discretization of the quasi one-dimensional Euler equations. Formulations for both staggered and collocated grid arrangements are considered and extensions of the general procedure to multiple dimensions are discussed.

Progress in the Simulation of Steady and Time-Dependent Flows with 3D Parallel Unstructured Cartesian Methods

NASA Technical Reports Server (NTRS)

Aftosmis, M. J.; Berger, M. J.; Murman, S. M.; Kwak, Dochan (Technical Monitor)

2002-01-01

The proposed paper will present recent extensions in the development of an efficient Euler solver for adaptively-refined Cartesian meshes with embedded boundaries. The paper will focus on extensions of the basic method to include solution adaptation, time-dependent flow simulation, and arbitrary rigid domain motion. The parallel multilevel method makes use of on-the-fly parallel domain decomposition to achieve extremely good scalability on large numbers of processors, and is coupled with an automatic coarse mesh generation algorithm for efficient processing by a multigrid smoother. Numerical results are presented demonstrating parallel speed-ups of up to 435 on 512 processors. Solution-based adaptation may be keyed off truncation error estimates using tau-extrapolation or a variety of feature detection based refinement parameters. The multigrid method is extended to for time-dependent flows through the use of a dual-time approach. The extension to rigid domain motion uses an Arbitrary Lagrangian-Eulerlarian (ALE) formulation, and results will be presented for a variety of two- and three-dimensional example problems with both simple and complex geometry.

The Use of Sparse Direct Solver in Vector Finite Element Modeling for Calculating Two Dimensional (2-D) Magnetotelluric Responses in Transverse Electric (TE) Mode

NASA Astrophysics Data System (ADS)

Yihaa Roodhiyah, Lisa’; Tjong, Tiffany; Nurhasan; Sutarno, D.

2018-04-01

The late research, linear matrices of vector finite element in two dimensional(2-D) magnetotelluric (MT) responses modeling was solved by non-sparse direct solver in TE mode. Nevertheless, there is some weakness which have to be improved especially accuracy in the low frequency (10-3 Hz-10-5 Hz) which is not achieved yet and high cost computation in dense mesh. In this work, the solver which is used is sparse direct solver instead of non-sparse direct solverto overcome the weaknesses of solving linear matrices of vector finite element metod using non-sparse direct solver. Sparse direct solver will be advantageous in solving linear matrices of vector finite element method because of the matrix properties which is symmetrical and sparse. The validation of sparse direct solver in solving linear matrices of vector finite element has been done for a homogen half-space model and vertical contact model by analytical solution. Thevalidation result of sparse direct solver in solving linear matrices of vector finite element shows that sparse direct solver is more stable than non-sparse direct solver in computing linear problem of vector finite element method especially in low frequency. In the end, the accuracy of 2D MT responses modelling in low frequency (10-3 Hz-10-5 Hz) has been reached out under the efficient allocation memory of array and less computational time consuming.

A highly parallel multigrid-like method for the solution of the Euler equations

NASA Technical Reports Server (NTRS)

Tuminaro, Ray S.

1989-01-01

We consider a highly parallel multigrid-like method for the solution of the two dimensional steady Euler equations. The new method, introduced as filtering multigrid, is similar to a standard multigrid scheme in that convergence on the finest grid is accelerated by iterations on coarser grids. In the filtering method, however, additional fine grid subproblems are processed concurrently with coarse grid computations to further accelerate convergence. These additional problems are obtained by splitting the residual into a smooth and an oscillatory component. The smooth component is then used to form a coarse grid problem (similar to standard multigrid) while the oscillatory component is used for a fine grid subproblem. The primary advantage in the filtering approach is that fewer iterations are required and that most of the additional work per iteration can be performed in parallel with the standard coarse grid computations. We generalize the filtering algorithm to a version suitable for nonlinear problems. We emphasize that this generalization is conceptually straight-forward and relatively easy to implement. In particular, no explicit linearization (e.g., formation of Jacobians) needs to be performed (similar to the FAS multigrid approach). We illustrate the nonlinear version by applying it to the Euler equations, and presenting numerical results. Finally, a performance evaluation is made based on execution time models and convergence information obtained from numerical experiments.

Multigrid and Krylov Subspace Methods for the Discrete Stokes Equations

NASA Technical Reports Server (NTRS)

Elman, Howard C.

1996-01-01

Discretization of the Stokes equations produces a symmetric indefinite system of linear equations. For stable discretizations, a variety of numerical methods have been proposed that have rates of convergence independent of the mesh size used in the discretization. In this paper, we compare the performance of four such methods: variants of the Uzawa, preconditioned conjugate gradient, preconditioned conjugate residual, and multigrid methods, for solving several two-dimensional model problems. The results indicate that where it is applicable, multigrid with smoothing based on incomplete factorization is more efficient than the other methods, but typically by no more than a factor of two. The conjugate residual method has the advantage of being both independent of iteration parameters and widely applicable.

A Kernel-free Boundary Integral Method for Elliptic Boundary Value Problems ⋆

PubMed Central

Ying, Wenjun; Henriquez, Craig S.

2013-01-01

This paper presents a class of kernel-free boundary integral (KFBI) methods for general elliptic boundary value problems (BVPs). The boundary integral equations reformulated from the BVPs are solved iteratively with the GMRES method. During the iteration, the boundary and volume integrals involving Green's functions are approximated by structured grid-based numerical solutions, which avoids the need to know the analytical expressions of Green's functions. The KFBI method assumes that the larger regular domain, which embeds the original complex domain, can be easily partitioned into a hierarchy of structured grids so that fast elliptic solvers such as the fast Fourier transform (FFT) based Poisson/Helmholtz solvers or those based on geometric multigrid iterations are applicable. The structured grid-based solutions are obtained with standard finite difference method (FDM) or finite element method (FEM), where the right hand side of the resulting linear system is appropriately modified at irregular grid nodes to recover the formal accuracy of the underlying numerical scheme. Numerical results demonstrating the efficiency and accuracy of the KFBI methods are presented. It is observed that the number of GM-RES iterations used by the method for solving isotropic and moderately anisotropic BVPs is independent of the sizes of the grids that are employed to approximate the boundary and volume integrals. With the standard second-order FEMs and FDMs, the KFBI method shows a second-order convergence rate in accuracy for all of the tested Dirichlet/Neumann BVPs when the anisotropy of the diffusion tensor is not too strong. PMID:23519600

Fast preconditioned multigrid solution of the Euler and Navier-Stokes equations for steady, compressible flows

NASA Astrophysics Data System (ADS)

Caughey, David A.; Jameson, Antony

2003-10-01

New versions of implicit algorithms are developed for the efficient solution of the Euler and Navier-Stokes equations of compressible flow. The methods are based on a preconditioned, lower-upper (LU) implementation of a non-linear, symmetric Gauss-Seidel (SGS) algorithm for use as a smoothing algorithm in a multigrid method. Previously, this method had been implemented for flows in quasi-one-dimensional ducts and for two-dimensional flows past airfoils on boundary-conforming O-type grids for a variety of symmetric limited positive (SLIP) spatial approximations, including the scalar dissipation and convective upwind split pressure (CUSP) schemes. Here results are presented for both inviscid and viscous (laminar) flows past airfoils on boundary-conforming C-type grids. The method is significantly faster than earlier explicit or implicit methods for inviscid problems, allowing solution of these problems to the level of truncation error in three to five multigrid cycles. Viscous solutions still require as many as twenty multigrid cycles.

Anatomically accurate high resolution modeling of human whole heart electromechanics: A strongly scalable algebraic multigrid solver method for nonlinear deformation

NASA Astrophysics Data System (ADS)

Augustin, Christoph M.; Neic, Aurel; Liebmann, Manfred; Prassl, Anton J.; Niederer, Steven A.; Haase, Gundolf; Plank, Gernot

2016-01-01

Electromechanical (EM) models of the heart have been used successfully to study fundamental mechanisms underlying a heart beat in health and disease. However, in all modeling studies reported so far numerous simplifications were made in terms of representing biophysical details of cellular function and its heterogeneity, gross anatomy and tissue microstructure, as well as the bidirectional coupling between electrophysiology (EP) and tissue distension. One limiting factor is the employed spatial discretization methods which are not sufficiently flexible to accommodate complex geometries or resolve heterogeneities, but, even more importantly, the limited efficiency of the prevailing solver techniques which is not sufficiently scalable to deal with the incurring increase in degrees of freedom (DOF) when modeling cardiac electromechanics at high spatio-temporal resolution. This study reports on the development of a novel methodology for solving the nonlinear equation of finite elasticity using human whole organ models of cardiac electromechanics, discretized at a high para-cellular resolution. Three patient-specific, anatomically accurate, whole heart EM models were reconstructed from magnetic resonance (MR) scans at resolutions of 220 μm, 440 μm and 880 μm, yielding meshes of approximately 184.6, 24.4 and 3.7 million tetrahedral elements and 95.9, 13.2 and 2.1 million displacement DOF, respectively. The same mesh was used for discretizing the governing equations of both electrophysiology (EP) and nonlinear elasticity. A novel algebraic multigrid (AMG) preconditioner for an iterative Krylov solver was developed to deal with the resulting computational load. The AMG preconditioner was designed under the primary objective of achieving favorable strong scaling characteristics for both setup and solution runtimes, as this is key for exploiting current high performance computing hardware. Benchmark results using the 220 μm, 440 μm and 880 μm meshes demonstrate efficient scaling up to 1024, 4096 and 8192 compute cores which allowed the simulation of a single heart beat in 44.3, 87.8 and 235.3 minutes, respectively. The efficiency of the method allows fast simulation cycles without compromising anatomical or biophysical detail.

Anatomically accurate high resolution modeling of human whole heart electromechanics: A strongly scalable algebraic multigrid solver method for nonlinear deformation

PubMed Central

Augustin, Christoph M.; Neic, Aurel; Liebmann, Manfred; Prassl, Anton J.; Niederer, Steven A.; Haase, Gundolf; Plank, Gernot

2016-01-01

Electromechanical (EM) models of the heart have been used successfully to study fundamental mechanisms underlying a heart beat in health and disease. However, in all modeling studies reported so far numerous simplifications were made in terms of representing biophysical details of cellular function and its heterogeneity, gross anatomy and tissue microstructure, as well as the bidirectional coupling between electrophysiology (EP) and tissue distension. One limiting factor is the employed spatial discretization methods which are not sufficiently flexible to accommodate complex geometries or resolve heterogeneities, but, even more importantly, the limited efficiency of the prevailing solver techniques which are not sufficiently scalable to deal with the incurring increase in degrees of freedom (DOF) when modeling cardiac electromechanics at high spatio-temporal resolution. This study reports on the development of a novel methodology for solving the nonlinear equation of finite elasticity using human whole organ models of cardiac electromechanics, discretized at a high para-cellular resolution. Three patient-specific, anatomically accurate, whole heart EM models were reconstructed from magnetic resonance (MR) scans at resolutions of 220 μm, 440 μm and 880 μm, yielding meshes of approximately 184.6, 24.4 and 3.7 million tetrahedral elements and 95.9, 13.2 and 2.1 million displacement DOF, respectively. The same mesh was used for discretizing the governing equations of both electrophysiology (EP) and nonlinear elasticity. A novel algebraic multigrid (AMG) preconditioner for an iterative Krylov solver was developed to deal with the resulting computational load. The AMG preconditioner was designed under the primary objective of achieving favorable strong scaling characteristics for both setup and solution runtimes, as this is key for exploiting current high performance computing hardware. Benchmark results using the 220 μm, 440 μm and 880 μm meshes demonstrate efficient scaling up to 1024, 4096 and 8192 compute cores which allowed the simulation of a single heart beat in 44.3, 87.8 and 235.3 minutes, respectively. The efficiency of the method allows fast simulation cycles without compromising anatomical or biophysical detail. PMID:26819483

Implicit adaptive mesh refinement for 2D reduced resistive magnetohydrodynamics

NASA Astrophysics Data System (ADS)

Philip, Bobby; Chacón, Luis; Pernice, Michael

2008-10-01

An implicit structured adaptive mesh refinement (SAMR) solver for 2D reduced magnetohydrodynamics (MHD) is described. The time-implicit discretization is able to step over fast normal modes, while the spatial adaptivity resolves thin, dynamically evolving features. A Jacobian-free Newton-Krylov method is used for the nonlinear solver engine. For preconditioning, we have extended the optimal "physics-based" approach developed in [L. Chacón, D.A. Knoll, J.M. Finn, An implicit, nonlinear reduced resistive MHD solver, J. Comput. Phys. 178 (2002) 15-36] (which employed multigrid solver technology in the preconditioner for scalability) to SAMR grids using the well-known Fast Adaptive Composite grid (FAC) method [S. McCormick, Multilevel Adaptive Methods for Partial Differential Equations, SIAM, Philadelphia, PA, 1989]. A grid convergence study demonstrates that the solver performance is independent of the number of grid levels and only depends on the finest resolution considered, and that it scales well with grid refinement. The study of error generation and propagation in our SAMR implementation demonstrates that high-order (cubic) interpolation during regridding, combined with a robustly damping second-order temporal scheme such as BDF2, is required to minimize impact of grid errors at coarse-fine interfaces on the overall error of the computation for this MHD application. We also demonstrate that our implementation features the desired property that the overall numerical error is dependent only on the finest resolution level considered, and not on the base-grid resolution or on the number of refinement levels present during the simulation. We demonstrate the effectiveness of the tool on several challenging problems.

A new multigrid formulation for high order finite difference methods on summation-by-parts form

NASA Astrophysics Data System (ADS)

Ruggiu, Andrea A.; Weinerfelt, Per; Nordström, Jan

2018-04-01

Multigrid schemes for high order finite difference methods on summation-by-parts form are studied by comparing the effect of different interpolation operators. By using the standard linear prolongation and restriction operators, the Galerkin condition leads to inaccurate coarse grid discretizations. In this paper, an alternative class of interpolation operators that bypass this issue and preserve the summation-by-parts property on each grid level is considered. Clear improvements of the convergence rate for relevant model problems are achieved.

The design and implementation of a parallel unstructured Euler solver using software primitives

NASA Technical Reports Server (NTRS)

Das, R.; Mavriplis, D. J.; Saltz, J.; Gupta, S.; Ponnusamy, R.

1992-01-01

This paper is concerned with the implementation of a three-dimensional unstructured grid Euler-solver on massively parallel distributed-memory computer architectures. The goal is to minimize solution time by achieving high computational rates with a numerically efficient algorithm. An unstructured multigrid algorithm with an edge-based data structure has been adopted, and a number of optimizations have been devised and implemented in order to accelerate the parallel communication rates. The implementation is carried out by creating a set of software tools, which provide an interface between the parallelization issues and the sequential code, while providing a basis for future automatic run-time compilation support. Large practical unstructured grid problems are solved on the Intel iPSC/860 hypercube and Intel Touchstone Delta machine. The quantitative effect of the various optimizations are demonstrated, and we show that the combined effect of these optimizations leads to roughly a factor of three performance improvement. The overall solution efficiency is compared with that obtained on the CRAY-YMP vector supercomputer.

An upwind multigrid method for solving viscous flows on unstructured triangular meshes. M.S. Thesis

NASA Technical Reports Server (NTRS)

Bonhaus, Daryl Lawrence

1993-01-01

A multigrid algorithm is combined with an upwind scheme for solving the two dimensional Reynolds averaged Navier-Stokes equations on triangular meshes resulting in an efficient, accurate code for solving complex flows around multiple bodies. The relaxation scheme uses a backward-Euler time difference and relaxes the resulting linear system using a red-black procedure. Roe's flux-splitting scheme is used to discretize convective and pressure terms, while a central difference is used for the diffusive terms. The multigrid scheme is demonstrated for several flows around single and multi-element airfoils, including inviscid, laminar, and turbulent flows. The results show an appreciable speed up of the scheme for inviscid and laminar flows, and dramatic increases in efficiency for turbulent cases, especially those on increasingly refined grids.

CPIC: a curvilinear Particle-In-Cell code for plasma-material interaction studies

NASA Astrophysics Data System (ADS)

Delzanno, G.; Camporeale, E.; Moulton, J. D.; Borovsky, J. E.; MacDonald, E.; Thomsen, M. F.

2012-12-01

We present a recently developed Particle-In-Cell (PIC) code in curvilinear geometry called CPIC (Curvilinear PIC) [1], where the standard PIC algorithm is coupled with a grid generation/adaptation strategy. Through the grid generator, which maps the physical domain to a logical domain where the grid is uniform and Cartesian, the code can simulate domains of arbitrary complexity, including the interaction of complex objects with a plasma. At present the code is electrostatic. Poisson's equation (in logical space) can be solved with either an iterative method based on the Conjugate Gradient (CG) or the Generalized Minimal Residual (GMRES) coupled with a multigrid solver used as a preconditioner, or directly with multigrid. The multigrid strategy is critical for the solver to perform optimally or nearly optimally as the dimension of the problem increases. CPIC also features a hybrid particle mover, where the computational particles are characterized by position in logical space and velocity in physical space. The advantage of a hybrid mover, as opposed to more conventional movers that move particles directly in the physical space, is that the interpolation of the particles in logical space is straightforward and computationally inexpensive, since one does not have to track the position of the particle. We will present our latest progress on the development of the code and document the code performance on standard plasma-physics tests. Then we will present the (preliminary) application of the code to a basic dynamic-charging problem, namely the charging and shielding of a spherical spacecraft in a magnetized plasma for various level of magnetization and including the pulsed emission of an electron beam from the spacecraft. The dynamical evolution of the sheath and the time-dependent current collection will be described. This study is in support of the ConnEx mission concept to use an electron beam from a magnetospheric spacecraft to trace magnetic field lines from the magnetosphere to the ionosphere [2]. [1] G.L. Delzanno, E. Camporeale, "CPIC: a new Particle-in-Cell code for plasma-material interaction studies", in preparation (2012). [2] J.E. Borovsky, D.J. McComas, M.F. Thomsen, J.L. Burch, J. Cravens, C.J. Pollock, T.E. Moore, and S.B. Mende, "Magnetosphere-Ionosphere Observatory (MIO): A multisatellite mission designed to solve the problem of what generates auroral arcs," Eos. Trans. Amer. Geophys. Union 79 (45), F744 (2000).

MUSIC: MUlti-Scale Initial Conditions

NASA Astrophysics Data System (ADS)

Hahn, Oliver; Abel, Tom

2013-11-01

MUSIC generates multi-scale initial conditions with multiple levels of refinements for cosmological ‘zoom-in’ simulations. The code uses an adaptive convolution of Gaussian white noise with a real-space transfer function kernel together with an adaptive multi-grid Poisson solver to generate displacements and velocities following first- (1LPT) or second-order Lagrangian perturbation theory (2LPT). MUSIC achieves rms relative errors of the order of 10-4 for displacements and velocities in the refinement region and thus improves in terms of errors by about two orders of magnitude over previous approaches. In addition, errors are localized at coarse-fine boundaries and do not suffer from Fourier space-induced interference ringing.

Efficient solution of the simplified P N equations

DOE PAGES

Hamilton, Steven P.; Evans, Thomas M.

2014-12-23

We show new solver strategies for the multigroup SPN equations for nuclear reactor analysis. By forming the complete matrix over space, moments, and energy a robust set of solution strategies may be applied. Moreover, power iteration, shifted power iteration, Rayleigh quotient iteration, Arnoldi's method, and a generalized Davidson method, each using algebraic and physics-based multigrid preconditioners, have been compared on C5G7 MOX test problem as well as an operational PWR model. These results show that the most ecient approach is the generalized Davidson method, that is 30-40 times faster than traditional power iteration and 6-10 times faster than Arnoldi's method.

Recovery Discontinuous Galerkin Jacobian-Free Newton-Krylov Method for All-Speed Flows

DOE Office of Scientific and Technical Information (OSTI.GOV)

HyeongKae Park; Robert Nourgaliev; Vincent Mousseau

2008-07-01

A novel numerical algorithm (rDG-JFNK) for all-speed fluid flows with heat conduction and viscosity is introduced. The rDG-JFNK combines the Discontinuous Galerkin spatial discretization with the implicit Runge-Kutta time integration under the Jacobian-free Newton-Krylov framework. We solve fully-compressible Navier-Stokes equations without operator-splitting of hyperbolic, diffusion and reaction terms, which enables fully-coupled high-order temporal discretization. The stability constraint is removed due to the L-stable Explicit, Singly Diagonal Implicit Runge-Kutta (ESDIRK) scheme. The governing equations are solved in the conservative form, which allows one to accurately compute shock dynamics, as well as low-speed flows. For spatial discretization, we develop a “recovery” familymore » of DG, exhibiting nearly-spectral accuracy. To precondition the Krylov-based linear solver (GMRES), we developed an “Operator-Split”-(OS) Physics Based Preconditioner (PBP), in which we transform/simplify the fully-coupled system to a sequence of segregated scalar problems, each can be solved efficiently with Multigrid method. Each scalar problem is designed to target/cluster eigenvalues of the Jacobian matrix associated with a specific physics.« less

Data fitting and image fine-tuning approach to solve the inverse problem in fluorescence molecular imaging

NASA Astrophysics Data System (ADS)

Gorpas, Dimitris; Politopoulos, Kostas; Yova, Dido; Andersson-Engels, Stefan

2008-02-01

One of the most challenging problems in medical imaging is to "see" a tumour embedded into tissue, which is a turbid medium, by using fluorescent probes for tumour labeling. This problem, despite the efforts made during the last years, has not been fully encountered yet, due to the non-linear nature of the inverse problem and the convergence failures of many optimization techniques. This paper describes a robust solution of the inverse problem, based on data fitting and image fine-tuning techniques. As a forward solver the coupled radiative transfer equation and diffusion approximation model is proposed and compromised via a finite element method, enhanced with adaptive multi-grids for faster and more accurate convergence. A database is constructed by application of the forward model on virtual tumours with known geometry, and thus fluorophore distribution, embedded into simulated tissues. The fitting procedure produces the best matching between the real and virtual data, and thus provides the initial estimation of the fluorophore distribution. Using this information, the coupled radiative transfer equation and diffusion approximation model has the required initial values for a computational reasonable and successful convergence during the image fine-tuning application.

Real-time haptic cutting of high-resolution soft tissues.

PubMed

Wu, Jun; Westermann, Rüdiger; Dick, Christian

2014-01-01

We present our systematic efforts in advancing the computational performance of physically accurate soft tissue cutting simulation, which is at the core of surgery simulators in general. We demonstrate a real-time performance of 15 simulation frames per second for haptic soft tissue cutting of a deformable body at an effective resolution of 170,000 finite elements. This is achieved by the following innovative components: (1) a linked octree discretization of the deformable body, which allows for fast and robust topological modifications of the simulation domain, (2) a composite finite element formulation, which thoroughly reduces the number of simulation degrees of freedom and thus enables to carefully balance simulation performance and accuracy, (3) a highly efficient geometric multigrid solver for solving the linear systems of equations arising from implicit time integration, (4) an efficient collision detection algorithm that effectively exploits the composition structure, and (5) a stable haptic rendering algorithm for computing the feedback forces. Considering that our method increases the finite element resolution for physically accurate real-time soft tissue cutting simulation by an order of magnitude, our technique has a high potential to significantly advance the realism of surgery simulators.

An adaptive discontinuous Galerkin solver for aerodynamic flows

NASA Astrophysics Data System (ADS)

Burgess, Nicholas K.

This work considers the accuracy, efficiency, and robustness of an unstructured high-order accurate discontinuous Galerkin (DG) solver for computational fluid dynamics (CFD). Recently, there has been a drive to reduce the discretization error of CFD simulations using high-order methods on unstructured grids. However, high-order methods are often criticized for lacking robustness and having high computational cost. The goal of this work is to investigate methods that enhance the robustness of high-order discontinuous Galerkin (DG) methods on unstructured meshes, while maintaining low computational cost and high accuracy of the numerical solutions. This work investigates robustness enhancement of high-order methods by examining effective non-linear solvers, shock capturing methods, turbulence model discretizations and adaptive refinement techniques. The goal is to develop an all encompassing solver that can simulate a large range of physical phenomena, where all aspects of the solver work together to achieve a robust, efficient and accurate solution strategy. The components and framework for a robust high-order accurate solver that is capable of solving viscous, Reynolds Averaged Navier-Stokes (RANS) and shocked flows is presented. In particular, this work discusses robust discretizations of the turbulence model equation used to close the RANS equations, as well as stable shock capturing strategies that are applicable across a wide range of discretization orders and applicable to very strong shock waves. Furthermore, refinement techniques are considered as both efficiency and robustness enhancement strategies. Additionally, efficient non-linear solvers based on multigrid and Krylov subspace methods are presented. The accuracy, efficiency, and robustness of the solver is demonstrated using a variety of challenging aerodynamic test problems, which include turbulent high-lift and viscous hypersonic flows. Adaptive mesh refinement was found to play a critical role in obtaining a robust and efficient high-order accurate flow solver. A goal-oriented error estimation technique has been developed to estimate the discretization error of simulation outputs. For high-order discretizations, it is shown that functional output error super-convergence can be obtained, provided the discretization satisfies a property known as dual consistency. The dual consistency of the DG methods developed in this work is shown via mathematical analysis and numerical experimentation. Goal-oriented error estimation is also used to drive an hp-adaptive mesh refinement strategy, where a combination of mesh or h-refinement, and order or p-enrichment, is employed based on the smoothness of the solution. The results demonstrate that the combination of goal-oriented error estimation and hp-adaptation yield superior accuracy, as well as enhanced robustness and efficiency for a variety of aerodynamic flows including flows with strong shock waves. This work demonstrates that DG discretizations can be the basis of an accurate, efficient, and robust CFD solver. Furthermore, enhancing the robustness of DG methods does not adversely impact the accuracy or efficiency of the solver for challenging and complex flow problems. In particular, when considering the computation of shocked flows, this work demonstrates that the available shock capturing techniques are sufficiently accurate and robust, particularly when used in conjunction with adaptive mesh refinement . This work also demonstrates that robust solutions of the Reynolds Averaged Navier-Stokes (RANS) and turbulence model equations can be obtained for complex and challenging aerodynamic flows. In this context, the most robust strategy was determined to be a low-order turbulence model discretization coupled to a high-order discretization of the RANS equations. Although RANS solutions using high-order accurate discretizations of the turbulence model were obtained, the behavior of current-day RANS turbulence models discretized to high-order was found to be problematic, leading to solver robustness issues. This suggests that future work is warranted in the area of turbulence model formulation for use with high-order discretizations. Alternately, the use of Large-Eddy Simulation (LES) subgrid scale models with high-order DG methods offers the potential to leverage the high accuracy of these methods for very high fidelity turbulent simulations. This thesis has developed the algorithmic improvements that will lay the foundation for the development of a three-dimensional high-order flow solution strategy that can be used as the basis for future LES simulations.

Block-accelerated aggregation multigrid for Markov chains with application to PageRank problems

NASA Astrophysics Data System (ADS)

Shen, Zhao-Li; Huang, Ting-Zhu; Carpentieri, Bruno; Wen, Chun; Gu, Xian-Ming

2018-06-01

Recently, the adaptive algebraic aggregation multigrid method has been proposed for computing stationary distributions of Markov chains. This method updates aggregates on every iterative cycle to keep high accuracies of coarse-level corrections. Accordingly, its fast convergence rate is well guaranteed, but often a large proportion of time is cost by aggregation processes. In this paper, we show that the aggregates on each level in this method can be utilized to transfer the probability equation of that level into a block linear system. Then we propose a Block-Jacobi relaxation that deals with the block system on each level to smooth error. Some theoretical analysis of this technique is presented, meanwhile it is also adapted to solve PageRank problems. The purpose of this technique is to accelerate the adaptive aggregation multigrid method and its variants for solving Markov chains and PageRank problems. It also attempts to shed some light on new solutions for making aggregation processes more cost-effective for aggregation multigrid methods. Numerical experiments are presented to illustrate the effectiveness of this technique.

Diablo 2.0: A modern DNS/LES code for the incompressible NSE leveraging new time-stepping and multigrid algorithms

NASA Astrophysics Data System (ADS)

Cavaglieri, Daniele; Bewley, Thomas; Mashayek, Ali

2015-11-01

We present a new code, Diablo 2.0, for the simulation of the incompressible NSE in channel and duct flows with strong grid stretching near walls. The code leverages the fractional step approach with a few twists. New low-storage IMEX (implicit-explicit) Runge-Kutta time-marching schemes are tested which are superior to the traditional and widely-used CN/RKW3 (Crank-Nicolson/Runge-Kutta-Wray) approach; the new schemes tested are L-stable in their implicit component, and offer improved overall order of accuracy and stability with, remarkably, similar computational cost and storage requirements. For duct flow simulations, our new code also introduces a new smoother for the multigrid solver for the pressure Poisson equation. The classic approach, involving alternating-direction zebra relaxation, is replaced by a new scheme, dubbed tweed relaxation, which achieves the same convergence rate with roughly half the computational cost. The code is then tested on the simulation of a shear flow instability in a duct, a classic problem in fluid mechanics which has been the object of extensive numerical modelling for its role as a canonical pathway to energetic turbulence in several fields of science and engineering.

Iterative load-balancing method with multigrid level relaxation for particle simulation with short-range interactions

NASA Astrophysics Data System (ADS)

Furuichi, Mikito; Nishiura, Daisuke

2017-10-01

We developed dynamic load-balancing algorithms for Particle Simulation Methods (PSM) involving short-range interactions, such as Smoothed Particle Hydrodynamics (SPH), Moving Particle Semi-implicit method (MPS), and Discrete Element method (DEM). These are needed to handle billions of particles modeled in large distributed-memory computer systems. Our method utilizes flexible orthogonal domain decomposition, allowing the sub-domain boundaries in the column to be different for each row. The imbalances in the execution time between parallel logical processes are treated as a nonlinear residual. Load-balancing is achieved by minimizing the residual within the framework of an iterative nonlinear solver, combined with a multigrid technique in the local smoother. Our iterative method is suitable for adjusting the sub-domain frequently by monitoring the performance of each computational process because it is computationally cheaper in terms of communication and memory costs than non-iterative methods. Numerical tests demonstrated the ability of our approach to handle workload imbalances arising from a non-uniform particle distribution, differences in particle types, or heterogeneous computer architecture which was difficult with previously proposed methods. We analyzed the parallel efficiency and scalability of our method using Earth simulator and K-computer supercomputer systems.

Multigrid Algorithms for the Solution of Linear Complementarity Problems Arising from Free Boundary Problems.

DTIC Science & Technology

1980-10-01

faster than previous algorithms. Indeed, with only minor modifications, the standard multigrid programs solve the LCP with essentially the same efficiency... Lemna 2.2. Let Uk be the solution of the LCP (2.3), and let uk > 0 be an approximate solu- tion obtained after one or more Gk projected sweeps. Let...in Figure 3.2, Ivu IIG decreased from .293 10 to .110 10 with the expenditure of (99.039-94.400) = 4.639 work units. While minor variations do arise, a

FaCSI: A block parallel preconditioner for fluid-structure interaction in hemodynamics

NASA Astrophysics Data System (ADS)

Deparis, Simone; Forti, Davide; Grandperrin, Gwenol; Quarteroni, Alfio

2016-12-01

Modeling Fluid-Structure Interaction (FSI) in the vascular system is mandatory to reliably compute mechanical indicators in vessels undergoing large deformations. In order to cope with the computational complexity of the coupled 3D FSI problem after discretizations in space and time, a parallel solution is often mandatory. In this paper we propose a new block parallel preconditioner for the coupled linearized FSI system obtained after space and time discretization. We name it FaCSI to indicate that it exploits the Factorized form of the linearized FSI matrix, the use of static Condensation to formally eliminate the interface degrees of freedom of the fluid equations, and the use of a SIMPLE preconditioner for saddle-point problems. FaCSI is built upon a block Gauss-Seidel factorization of the FSI Jacobian matrix and it uses ad-hoc preconditioners for each physical component of the coupled problem, namely the fluid, the structure and the geometry. In the fluid subproblem, after operating static condensation of the interface fluid variables, we use a SIMPLE preconditioner on the reduced fluid matrix. Moreover, to efficiently deal with a large number of processes, FaCSI exploits efficient single field preconditioners, e.g., based on domain decomposition or the multigrid method. We measure the parallel performances of FaCSI on a benchmark cylindrical geometry and on a problem of physiological interest, namely the blood flow through a patient-specific femoropopliteal bypass. We analyze the dependence of the number of linear solver iterations on the cores count (scalability of the preconditioner) and on the mesh size (optimality).

AQUASOL: An efficient solver for the dipolar Poisson–Boltzmann–Langevin equation

PubMed Central

Koehl, Patrice; Delarue, Marc

2010-01-01

The Poisson–Boltzmann (PB) formalism is among the most popular approaches to modeling the solvation of molecules. It assumes a continuum model for water, leading to a dielectric permittivity that only depends on position in space. In contrast, the dipolar Poisson–Boltzmann–Langevin (DPBL) formalism represents the solvent as a collection of orientable dipoles with nonuniform concentration; this leads to a nonlinear permittivity function that depends both on the position and on the local electric field at that position. The differences in the assumptions underlying these two models lead to significant differences in the equations they generate. The PB equation is a second order, elliptic, nonlinear partial differential equation (PDE). Its response coefficients correspond to the dielectric permittivity and are therefore constant within each subdomain of the system considered (i.e., inside and outside of the molecules considered). While the DPBL equation is also a second order, elliptic, nonlinear PDE, its response coefficients are nonlinear functions of the electrostatic potential. Many solvers have been developed for the PB equation; to our knowledge, none of these can be directly applied to the DPBL equation. The methods they use may adapt to the difference; their implementations however are PBE specific. We adapted the PBE solver originally developed by Holst and Saied [J. Comput. Chem. 16, 337 (1995)] to the problem of solving the DPBL equation. This solver uses a truncated Newton method with a multigrid preconditioner. Numerical evidences suggest that it converges for the DPBL equation and that the convergence is superlinear. It is found however to be slow and greedy in memory requirement for problems commonly encountered in computational biology and computational chemistry. To circumvent these problems, we propose two variants, a quasi-Newton solver based on a simplified, inexact Jacobian and an iterative self-consistent solver that is based directly on the PBE solver. While both methods are not guaranteed to converge, numerical evidences suggest that they do and that their convergence is also superlinear. Both variants are significantly faster than the solver based on the exact Jacobian, with a much smaller memory footprint. All three methods have been implemented in a new code named AQUASOL, which is freely available. PMID:20151727

AQUASOL: An efficient solver for the dipolar Poisson-Boltzmann-Langevin equation.

PubMed

Koehl, Patrice; Delarue, Marc

2010-02-14

The Poisson-Boltzmann (PB) formalism is among the most popular approaches to modeling the solvation of molecules. It assumes a continuum model for water, leading to a dielectric permittivity that only depends on position in space. In contrast, the dipolar Poisson-Boltzmann-Langevin (DPBL) formalism represents the solvent as a collection of orientable dipoles with nonuniform concentration; this leads to a nonlinear permittivity function that depends both on the position and on the local electric field at that position. The differences in the assumptions underlying these two models lead to significant differences in the equations they generate. The PB equation is a second order, elliptic, nonlinear partial differential equation (PDE). Its response coefficients correspond to the dielectric permittivity and are therefore constant within each subdomain of the system considered (i.e., inside and outside of the molecules considered). While the DPBL equation is also a second order, elliptic, nonlinear PDE, its response coefficients are nonlinear functions of the electrostatic potential. Many solvers have been developed for the PB equation; to our knowledge, none of these can be directly applied to the DPBL equation. The methods they use may adapt to the difference; their implementations however are PBE specific. We adapted the PBE solver originally developed by Holst and Saied [J. Comput. Chem. 16, 337 (1995)] to the problem of solving the DPBL equation. This solver uses a truncated Newton method with a multigrid preconditioner. Numerical evidences suggest that it converges for the DPBL equation and that the convergence is superlinear. It is found however to be slow and greedy in memory requirement for problems commonly encountered in computational biology and computational chemistry. To circumvent these problems, we propose two variants, a quasi-Newton solver based on a simplified, inexact Jacobian and an iterative self-consistent solver that is based directly on the PBE solver. While both methods are not guaranteed to converge, numerical evidences suggest that they do and that their convergence is also superlinear. Both variants are significantly faster than the solver based on the exact Jacobian, with a much smaller memory footprint. All three methods have been implemented in a new code named AQUASOL, which is freely available.

A Spectral Element Discretisation on Unstructured Triangle / Tetrahedral Meshes for Elastodynamics

NASA Astrophysics Data System (ADS)

May, Dave A.; Gabriel, Alice-A.

2017-04-01

The spectral element method (SEM) defined over quadrilateral and hexahedral element geometries has proven to be a fast, accurate and scalable approach to study wave propagation phenomena. In the context of regional scale seismology and or simulations incorporating finite earthquake sources, the geometric restrictions associated with hexahedral elements can limit the applicability of the classical quad./hex. SEM. Here we describe a continuous Galerkin spectral element discretisation defined over unstructured meshes composed of triangles (2D), or tetrahedra (3D). The method uses a stable, nodal basis constructed from PKD polynomials and thus retains the spectral accuracy and low dispersive properties of the classical SEM, in addition to the geometric versatility provided by unstructured simplex meshes. For the particular basis and quadrature rule we have adopted, the discretisation results in a mass matrix which is not diagonal, thereby mandating linear solvers be utilised. To that end, we have developed efficient solvers and preconditioners which are robust with respect to the polynomial order (p), and possess high arithmetic intensity. Furthermore, we also consider using implicit time integrators, together with a p-multigrid preconditioner to circumvent the CFL condition. Implicit time integrators become particularly relevant when considering solving problems on poor quality meshes, or meshes containing elements with a widely varying range of length scales - both of which frequently arise when meshing non-trivial geometries. We demonstrate the applicability of the new method by examining a number of two- and three-dimensional wave propagation scenarios. These scenarios serve to characterise the accuracy and cost of the new method. Lastly, we will assess the potential benefits of using implicit time integrators for regional scale wave propagation simulations.

3D inversion based on multi-grid approach of magnetotelluric data from Northern Scandinavia

NASA Astrophysics Data System (ADS)

Cherevatova, M.; Smirnov, M.; Korja, T. J.; Egbert, G. D.

2012-12-01

In this work we investigate the geoelectrical structure of the cratonic margin of Fennoscandian Shield by means of magnetotelluric (MT) measurements carried out in Northern Norway and Sweden during summer 2011-2012. The project Magnetotellurics in the Scandes (MaSca) focuses on the investigation of the crust, upper mantle and lithospheric structure in a transition zone from a stable Precambrian cratonic interior to a passive continental margin beneath the Caledonian Orogen and the Scandes Mountains in western Fennoscandia. Recent MT profiles in the central and southern Scandes indicated a large contrast in resistivity between Caledonides and Precambrian basement. The alum shales as a highly conductive layers between the resistive Precambrian basement and the overlying Caledonian nappes are revealed from this profiles. Additional measurements in the Northern Scandes were required. All together data from 60 synchronous long period (LMT) and about 200 broad band (BMT) sites were acquired. The array stretches from Lofoten and Bodo (Norway) in the west to Kiruna and Skeleftea (Sweden) in the east covering an area of 500x500 square kilometers. LMT sites were occupied for about two months, while most of the BMT sites were measured during one day. We have used new multi-grid approach for 3D electromagnetic (EM) inversion and modelling. Our approach is based on the OcTree discretization where the spatial domain is represented by rectangular cells, each of which might be subdivided (recursively) into eight sub-cells. In this simplified implementation the grid is refined only in the horizontal direction, uniformly in each vertical layer. Using multi-grid we manage to have a high grid resolution near the surface (for instance, to tackle with galvanic distortions) and lower resolution at greater depth as the EM fields decay in the Earth according to the diffusion equation. We also have a benefit in computational costs as number of unknowns decrease. The multi-grid forward solver is implemented within the framework of the modular system for EM inversion (ModEM by G. Egbert, A. Kelbert, N. Meqbel), using the ModEM 3D finite difference staggered grid forward solver (second order PDE in the electric field, with divergence correction) as a starting point for our development. The first 3D inversion model for the crust and upper mantle shows the highly conducting bodies in the crust which can be interpreted as alum shales. The eastern and central parts are presented by resistive Precambrian rocks of the Svecofennian and Archaean domains. The upper mantle is resistive and relates to the Baltica basement. We also compare 3D inversion model with the results of 2D inversion along several profiles. We are able to explain some of the features in the data (out of quadrant phase) with 3D model, thus providing more reliable results compared to routine 2D approach.

Oasis: A high-level/high-performance open source Navier-Stokes solver

NASA Astrophysics Data System (ADS)

Mortensen, Mikael; Valen-Sendstad, Kristian

2015-03-01

Oasis is a high-level/high-performance finite element Navier-Stokes solver written from scratch in Python using building blocks from the FEniCS project (fenicsproject.org). The solver is unstructured and targets large-scale applications in complex geometries on massively parallel clusters. Oasis utilizes MPI and interfaces, through FEniCS, to the linear algebra backend PETSc. Oasis advocates a high-level, programmable user interface through the creation of highly flexible Python modules for new problems. Through the high-level Python interface the user is placed in complete control of every aspect of the solver. A version of the solver, that is using piecewise linear elements for both velocity and pressure, is shown to reproduce very well the classical, spectral, turbulent channel simulations of Moser et al. (1999). The computational speed is strongly dominated by the iterative solvers provided by the linear algebra backend, which is arguably the best performance any similar implicit solver using PETSc may hope for. Higher order accuracy is also demonstrated and new solvers may be easily added within the same framework.

Computational Challenges of 3D Radiative Transfer in Atmospheric Models

NASA Astrophysics Data System (ADS)

Jakub, Fabian; Bernhard, Mayer

2017-04-01

The computation of radiative heating and cooling rates is one of the most expensive components in todays atmospheric models. The high computational cost stems not only from the laborious integration over a wide range of the electromagnetic spectrum but also from the fact that solving the integro-differential radiative transfer equation for monochromatic light is already rather involved. This lead to the advent of numerous approximations and parameterizations to reduce the cost of the solver. One of the most prominent one is the so called independent pixel approximations (IPA) where horizontal energy transfer is neglected whatsoever and radiation may only propagate in the vertical direction (1D). Recent studies implicate that the IPA introduces significant errors in high resolution simulations and affects the evolution and development of convective systems. However, using fully 3D solvers such as for example MonteCarlo methods is not even on state of the art supercomputers feasible. The parallelization of atmospheric models is often realized by a horizontal domain decomposition, and hence, horizontal transfer of energy necessitates communication. E.g. a cloud's shadow at a low zenith angle will cast a long shadow and potentially needs to communication through a multitude of processors. Especially light in the solar spectral range may travel long distances through the atmosphere. Concerning highly parallel simulations, it is vital that 3D radiative transfer solvers put a special emphasis on parallel scalability. We will present an introduction to intricacies computing 3D radiative heating and cooling rates as well as report on the parallel performance of the TenStream solver. The TenStream is a 3D radiative transfer solver using the PETSc framework to iteratively solve a set of partial differential equation. We investigate two matrix preconditioners, (a) geometric algebraic multigrid preconditioning(MG+GAMG) and (b) block Jacobi incomplete LU (ILU) factorization. The TenStream solver is tested for up to 4096 cores and shows a parallel scaling efficiency of 80-90% on various supercomputers.

A positivity-preserving, implicit defect-correction multigrid method for turbulent combustion

NASA Astrophysics Data System (ADS)

Wasserman, M.; Mor-Yossef, Y.; Greenberg, J. B.

2016-07-01

A novel, robust multigrid method for the simulation of turbulent and chemically reacting flows is developed. A survey of previous attempts at implementing multigrid for the problems at hand indicated extensive use of artificial stabilization to overcome numerical instability arising from non-linearity of turbulence and chemistry model source-terms, small-scale physics of combustion, and loss of positivity. These issues are addressed in the current work. The highly stiff Reynolds-averaged Navier-Stokes (RANS) equations, coupled with turbulence and finite-rate chemical kinetics models, are integrated in time using the unconditionally positive-convergent (UPC) implicit method. The scheme is successfully extended in this work for use with chemical kinetics models, in a fully-coupled multigrid (FC-MG) framework. To tackle the degraded performance of multigrid methods for chemically reacting flows, two major modifications are introduced with respect to the basic, Full Approximation Storage (FAS) approach. First, a novel prolongation operator that is based on logarithmic variables is proposed to prevent loss of positivity due to coarse-grid corrections. Together with the extended UPC implicit scheme, the positivity-preserving prolongation operator guarantees unconditional positivity of turbulence quantities and species mass fractions throughout the multigrid cycle. Second, to improve the coarse-grid-correction obtained in localized regions of high chemical activity, a modified defect correction procedure is devised, and successfully applied for the first time to simulate turbulent, combusting flows. The proposed modifications to the standard multigrid algorithm create a well-rounded and robust numerical method that provides accelerated convergence, while unconditionally preserving the positivity of model equation variables. Numerical simulations of various flows involving premixed combustion demonstrate that the proposed MG method increases the efficiency by a factor of up to eight times with respect to an equivalent single-grid method, and by two times with respect to an artificially-stabilized MG method.

CFD code evaluation for internal flow modeling

NASA Technical Reports Server (NTRS)

Chung, T. J.

1990-01-01

Research on the computational fluid dynamics (CFD) code evaluation with emphasis on supercomputing in reacting flows is discussed. Advantages of unstructured grids, multigrids, adaptive methods, improved flow solvers, vector processing, parallel processing, and reduction of memory requirements are discussed. As examples, researchers include applications of supercomputing to reacting flow Navier-Stokes equations including shock waves and turbulence and combustion instability problems associated with solid and liquid propellants. Evaluation of codes developed by other organizations are not included. Instead, the basic criteria for accuracy and efficiency have been established, and some applications on rocket combustion have been made. Research toward an ultimate goal, the most accurate and efficient CFD code, is in progress and will continue for years to come.

Factorizable Schemes for the Equations of Fluid Flow

NASA Technical Reports Server (NTRS)

Sidilkover, David

1999-01-01

We present an upwind high-resolution factorizable (UHF) discrete scheme for the compressible Euler equations that allows to distinguish between full-potential and advection factors at the discrete level. The scheme approximates equations in their general conservative form and is related to the family of genuinely multidimensional upwind schemes developed previously and demonstrated to have good shock-capturing capabilities. A unique property of this scheme is that in addition to the aforementioned features it is also factorizable, i.e., it allows to distinguish between full-potential and advection factors at the discrete level. The latter property facilitates the construction of optimally efficient multigrid solvers. This is done through a relaxation procedure that utilizes the factorizability property.

Keeping it Together: Advanced algorithms and software for magma dynamics (and other coupled multi-physics problems)

NASA Astrophysics Data System (ADS)

Spiegelman, M.; Wilson, C. R.

2011-12-01

A quantitative theory of magma production and transport is essential for understanding the dynamics of magmatic plate boundaries, intra-plate volcanism and the geochemical evolution of the planet. It also provides one of the most challenging computational problems in solid Earth science, as it requires consistent coupling of fluid and solid mechanics together with the thermodynamics of melting and reactive flows. Considerable work on these problems over the past two decades shows that small changes in assumptions of coupling (e.g. the relationship between melt fraction and solid rheology), can have profound changes on the behavior of these systems which in turn affects critical computational choices such as discretizations, solvers and preconditioners. To make progress in exploring and understanding this physically rich system requires a computational framework that allows more flexible, high-level description of multi-physics problems as well as increased flexibility in composing efficient algorithms for solution of the full non-linear coupled system. Fortunately, recent advances in available computational libraries and algorithms provide a platform for implementing such a framework. We present results from a new model building system that leverages functionality from both the FEniCS project (www.fenicsproject.org) and PETSc libraries (www.mcs.anl.gov/petsc) along with a model independent options system and gui, Spud (amcg.ese.ic.ac.uk/Spud). Key features from FEniCS include fully unstructured FEM with a wide range of elements; a high-level language (ufl) and code generation compiler (FFC) for describing the weak forms of residuals and automatic differentiation for calculation of exact and approximate jacobians. The overall strategy is to monitor/calculate residuals and jacobians for the entire non-linear system of equations within a global non-linear solve based on PETSc's SNES routines. PETSc already provides a wide range of solvers and preconditioners, from parallel sparse direct to algebraic multigrid, that can be chosen at runtime. In particular, we make extensive use of PETSc's FieldSplit block preconditioners that allow us to use optimal solvers for subproblems (such as Stokes, or advection/diffusion of temperature) as preconditioners for the full problem. Thus these routines let us reuse effective solving recipes/splittings from previous experience while monitoring the convergence of the global problem. These techniques often yield quadratic (Newton like) convergence for the work of standard Picard schemes. We will illustrate this new framework with examples from the Magma Dynamic Demonstration suite (MADDs) of well understood magma dynamics benchmark problems including stokes flow in ridge geometries, magmatic solitary waves and shear-driven melt bands. While development of this system has been driven by magma dynamics, this framework is much more general and can be used for a wide range of PDE based multi-physics models.

Multigrid Methods in Electronic Structure Calculations

NASA Astrophysics Data System (ADS)

Briggs, Emil

1996-03-01

Multigrid techniques have become the method of choice for a broad range of computational problems. Their use in electronic structure calculations introduces a new set of issues when compared to traditional plane wave approaches. We have developed a set of techniques that address these issues and permit multigrid algorithms to be applied to the electronic structure problem in an efficient manner. In our approach the Kohn-Sham equations are discretized on a real-space mesh using a compact representation of the Hamiltonian. The resulting equations are solved directly on the mesh using multigrid iterations. This produces rapid convergence rates even for ill-conditioned systems with large length and/or energy scales. The method has been applied to both periodic and non-periodic systems containing over 400 atoms and the results are in very good agreement with both theory and experiment. Example applications include a vacancy in diamond, an isolated C60 molecule, and a 64-atom cell of GaN with the Ga d-electrons in valence which required a 250 Ry cutoff. A particular strength of a real-space multigrid approach is its ready adaptability to massively parallel computer architectures. The compact representation of the Hamiltonian is especially well suited to such machines. Tests on the Cray-T3D have shown nearly linear scaling of the execution time up to the maximum number of processors (512). The MPP implementation has been used for studies of a large Amyloid Beta Peptide (C_146O_45N_42H_210) found in the brains of Alzheimers disease patients. Further applications of the multigrid method will also be described. (in collaboration D. J. Sullivan and J. Bernholc)

Treatment of charge singularities in implicit solvent models.

PubMed

Geng, Weihua; Yu, Sining; Wei, Guowei

2007-09-21

This paper presents a novel method for solving the Poisson-Boltzmann (PB) equation based on a rigorous treatment of geometric singularities of the dielectric interface and a Green's function formulation of charge singularities. Geometric singularities, such as cusps and self-intersecting surfaces, in the dielectric interfaces are bottleneck in developing highly accurate PB solvers. Based on an advanced mathematical technique, the matched interface and boundary (MIB) method, we have recently developed a PB solver by rigorously enforcing the flux continuity conditions at the solvent-molecule interface where geometric singularities may occur. The resulting PB solver, denoted as MIBPB-II, is able to deliver second order accuracy for the molecular surfaces of proteins. However, when the mesh size approaches half of the van der Waals radius, the MIBPB-II cannot maintain its accuracy because the grid points that carry the interface information overlap with those that carry distributed singular charges. In the present Green's function formalism, the charge singularities are transformed into interface flux jump conditions, which are treated on an equal footing as the geometric singularities in our MIB framework. The resulting method, denoted as MIBPB-III, is able to provide highly accurate electrostatic potentials at a mesh as coarse as 1.2 A for proteins. Consequently, at a given level of accuracy, the MIBPB-III is about three times faster than the APBS, a recent multigrid PB solver. The MIBPB-III has been extensively validated by using analytically solvable problems, molecular surfaces of polyatomic systems, and 24 proteins. It provides reliable benchmark numerical solutions for the PB equation.

Treatment of charge singularities in implicit solvent models

NASA Astrophysics Data System (ADS)

Geng, Weihua; Yu, Sining; Wei, Guowei

2007-09-01

This paper presents a novel method for solving the Poisson-Boltzmann (PB) equation based on a rigorous treatment of geometric singularities of the dielectric interface and a Green's function formulation of charge singularities. Geometric singularities, such as cusps and self-intersecting surfaces, in the dielectric interfaces are bottleneck in developing highly accurate PB solvers. Based on an advanced mathematical technique, the matched interface and boundary (MIB) method, we have recently developed a PB solver by rigorously enforcing the flux continuity conditions at the solvent-molecule interface where geometric singularities may occur. The resulting PB solver, denoted as MIBPB-II, is able to deliver second order accuracy for the molecular surfaces of proteins. However, when the mesh size approaches half of the van der Waals radius, the MIBPB-II cannot maintain its accuracy because the grid points that carry the interface information overlap with those that carry distributed singular charges. In the present Green's function formalism, the charge singularities are transformed into interface flux jump conditions, which are treated on an equal footing as the geometric singularities in our MIB framework. The resulting method, denoted as MIBPB-III, is able to provide highly accurate electrostatic potentials at a mesh as coarse as 1.2Å for proteins. Consequently, at a given level of accuracy, the MIBPB-III is about three times faster than the APBS, a recent multigrid PB solver. The MIBPB-III has been extensively validated by using analytically solvable problems, molecular surfaces of polyatomic systems, and 24 proteins. It provides reliable benchmark numerical solutions for the PB equation.

Algebraic multigrid methods applied to problems in computational structural mechanics

NASA Technical Reports Server (NTRS)

Mccormick, Steve; Ruge, John

1989-01-01

The development of algebraic multigrid (AMG) methods and their application to certain problems in structural mechanics are described with emphasis on two- and three-dimensional linear elasticity equations and the 'jacket problems' (three-dimensional beam structures). Various possible extensions of AMG are also described. The basic idea of AMG is to develop the discretization sequence based on the target matrix and not the differential equation. Therefore, the matrix is analyzed for certain dependencies that permit the proper construction of coarser matrices and attendant transfer operators. In this manner, AMG appears to be adaptable to structural analysis applications.

A high performance linear equation solver on the VPP500 parallel supercomputer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakanishi, Makoto; Ina, Hiroshi; Miura, Kenichi

1994-12-31

This paper describes the implementation of two high performance linear equation solvers developed for the Fujitsu VPP500, a distributed memory parallel supercomputer system. The solvers take advantage of the key architectural features of VPP500--(1) scalability for an arbitrary number of processors up to 222 processors, (2) flexible data transfer among processors provided by a crossbar interconnection network, (3) vector processing capability on each processor, and (4) overlapped computation and transfer. The general linear equation solver based on the blocked LU decomposition method achieves 120.0 GFLOPS performance with 100 processors in the LIN-PACK Highly Parallel Computing benchmark.

LDRD final report on massively-parallel linear programming : the parPCx system.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parekh, Ojas; Phillips, Cynthia Ann; Boman, Erik Gunnar

2005-02-01

This report summarizes the research and development performed from October 2002 to September 2004 at Sandia National Laboratories under the Laboratory-Directed Research and Development (LDRD) project ''Massively-Parallel Linear Programming''. We developed a linear programming (LP) solver designed to use a large number of processors. LP is the optimization of a linear objective function subject to linear constraints. Companies and universities have expended huge efforts over decades to produce fast, stable serial LP solvers. Previous parallel codes run on shared-memory systems and have little or no distribution of the constraint matrix. We have seen no reports of general LP solver runsmore » on large numbers of processors. Our parallel LP code is based on an efficient serial implementation of Mehrotra's interior-point predictor-corrector algorithm (PCx). The computational core of this algorithm is the assembly and solution of a sparse linear system. We have substantially rewritten the PCx code and based it on Trilinos, the parallel linear algebra library developed at Sandia. Our interior-point method can use either direct or iterative solvers for the linear system. To achieve a good parallel data distribution of the constraint matrix, we use a (pre-release) version of a hypergraph partitioner from the Zoltan partitioning library. We describe the design and implementation of our new LP solver called parPCx and give preliminary computational results. We summarize a number of issues related to efficient parallel solution of LPs with interior-point methods including data distribution, numerical stability, and solving the core linear system using both direct and iterative methods. We describe a number of applications of LP specific to US Department of Energy mission areas and we summarize our efforts to integrate parPCx (and parallel LP solvers in general) into Sandia's massively-parallel integer programming solver PICO (Parallel Interger and Combinatorial Optimizer). We conclude with directions for long-term future algorithmic research and for near-term development that could improve the performance of parPCx.« less

Patient-specific blood flow simulation to improve intracranial aneurysm diagnosis

NASA Astrophysics Data System (ADS)

Fenz, Wolfgang; Dirnberger, Johannes

2011-03-01

We present a novel simulation system of blood flow through intracranial aneurysms including the interaction between blood lumen and vessel tissue. It provides the means to estimate rupture risks by calculating the distribution of pressure and shear stresses in the aneurysm, in order to support the planning of clinical interventions. So far, this has only been possible with commercial simulation packages originally targeted at industrial applications, whereas our implementation focuses on the intuitive integration into clinical workflow. Due to the time-critical nature of the application, we exploit most efficient state-of-the-art numerical methods and technologies together with high performance computing infrastructures (Austrian Grid). Our system builds a three-dimensional virtual replica of the patient's cerebrovascular system from X-ray angiography, CT or MR images. The physician can then select a region of interest which is automatically transformed into a tetrahedral mesh. The differential equations for the blood flow and the wall elasticity are discretized via the finite element method (FEM), and the resulting linear equation systems are handled by an algebraic multigrid (AMG) solver. The wall displacement caused by the blood pressure is calculated using an iterative fluid-structure interaction (FSI) algorithm, and the fluid mesh is deformed accordingly. First simulation results on measured patient geometries show good medical relevance for diagnostic decision support.

Fully Implicit, Nonlinear 3D Extended Magnetohydrodynamics

NASA Astrophysics Data System (ADS)

Chacon, Luis; Knoll, Dana

2003-10-01

Extended magnetohydrodynamics (XMHD) includes nonideal effects such as nonlinear, anisotropic transport and two-fluid (Hall) effects. XMHD supports multiple, separate time scales that make explicit time differencing approaches extremely inefficient. While a fully implicit implementation promises efficiency without sacrificing numerical accuracy,(D. A. Knoll et al., phJ. Comput. Phys.) 185 (2), 583-611 (2003) the nonlinear nature of the XMHD system and the numerical stiffness associated with the fast waves make this endeavor difficult. Newton-Krylov methods are, however, ideally suited for such a task. These synergistically combine Newton's method for nonlinear convergence, and Krylov techniques to solve the associated Jacobian (linear) systems. Krylov methods can be implemented Jacobian-free and can be preconditioned for efficiency. Successful preconditioning strategies have been developed for 2D incompressible resistive(L. Chacón et al., phJ. Comput. Phys). 178 (1), 15- 36 (2002) and Hall(L. Chacón and D. A. Knoll, phJ. Comput. Phys.), 188 (2), 573-592 (2003) MHD models. These are based on ``physics-based'' ideas, in which knowledge of the physics is exploited to derive well-conditioned (diagonally-dominant) approximations to the original system that are amenable to optimal solver technologies (multigrid). In this work, we will describe the status of the extension of the 2D preconditioning ideas for a 3D compressible, single-fluid XMHD model.

3D electromagnetic modelling of a TTI medium and TTI effects in inversion

NASA Astrophysics Data System (ADS)

Jaysaval, Piyoosh; Shantsev, Daniil; de la Kethulle de Ryhove, Sébastien

2016-04-01

We present a numerical algorithm for 3D electromagnetic (EM) forward modelling in conducting media with general electric anisotropy. The algorithm is based on the finite-difference discretization of frequency-domain Maxwell's equations on a Lebedev grid, in which all components of the electric field are collocated but half a spatial step staggered with respect to the magnetic field components, which also are collocated. This leads to a system of linear equations that is solved using a stabilized biconjugate gradient method with a multigrid preconditioner. We validate the accuracy of the numerical results for layered and 3D tilted transverse isotropic (TTI) earth models representing typical scenarios used in the marine controlled-source EM method. It is then demonstrated that not taking into account the full anisotropy of the conductivity tensor can lead to misleading inversion results. For simulation data corresponding to a 3D model with a TTI anticlinal structure, a standard vertical transverse isotropic inversion is not able to image a resistor, while for a 3D model with a TTI synclinal structure the inversion produces a false resistive anomaly. If inversion uses the proposed forward solver that can handle TTI anisotropy, it produces resistivity images consistent with the true models.

Weighted least squares phase unwrapping based on the wavelet transform

NASA Astrophysics Data System (ADS)

Chen, Jiafeng; Chen, Haiqin; Yang, Zhengang; Ren, Haixia

2007-01-01

The weighted least squares phase unwrapping algorithm is a robust and accurate method to solve phase unwrapping problem. This method usually leads to a large sparse linear equation system. Gauss-Seidel relaxation iterative method is usually used to solve this large linear equation. However, this method is not practical due to its extremely slow convergence. The multigrid method is an efficient algorithm to improve convergence rate. However, this method needs an additional weight restriction operator which is very complicated. For this reason, the multiresolution analysis method based on the wavelet transform is proposed. By applying the wavelet transform, the original system is decomposed into its coarse and fine resolution levels and an equivalent equation system with better convergence condition can be obtained. Fast convergence in separate coarse resolution levels speeds up the overall system convergence rate. The simulated experiment shows that the proposed method converges faster and provides better result than the multigrid method.

Amesos2 and Belos: Direct and Iterative Solvers for Large Sparse Linear Systems

DOE PAGES

Bavier, Eric; Hoemmen, Mark; Rajamanickam, Sivasankaran; ...

2012-01-01

Solvers for large sparse linear systems come in two categories: direct and iterative. Amesos2, a package in the Trilinos software project, provides direct methods, and Belos, another Trilinos package, provides iterative methods. Amesos2 offers a common interface to many different sparse matrix factorization codes, and can handle any implementation of sparse matrices and vectors, via an easy-to-extend C++ traits interface. It can also factor matrices whose entries have arbitrary “Scalar” type, enabling extended-precision and mixed-precision algorithms. Belos includes many different iterative methods for solving large sparse linear systems and least-squares problems. Unlike competing iterative solver libraries, Belos completely decouples themore » algorithms from the implementations of the underlying linear algebra objects. This lets Belos exploit the latest hardware without changes to the code. Belos favors algorithms that solve higher-level problems, such as multiple simultaneous linear systems and sequences of related linear systems, faster than standard algorithms. The package also supports extended-precision and mixed-precision algorithms. Together, Amesos2 and Belos form a complete suite of sparse linear solvers.« less

Numerical study of a multigrid method with four smoothing methods for the incompressible Navier-Stokes equations in general coordinates

NASA Technical Reports Server (NTRS)

Zeng, S.; Wesseling, P.

1993-01-01

The performance of a linear multigrid method using four smoothing methods, called SCGS (Symmetrical Coupled GauBeta-Seidel), CLGS (Collective Line GauBeta-Seidel), SILU (Scalar ILU), and CILU (Collective ILU), is investigated for the incompressible Navier-Stokes equations in general coordinates, in association with Galerkin coarse grid approximation. Robustness and efficiency are measured and compared by application to test problems. The numerical results show that CILU is the most robust, SILU the least, with CLGS and SCGS in between. CLGS is the best in efficiency, SCGS and CILU follow, and SILU is the worst.

Flutter and Forced Response Analyses of Cascades using a Two-Dimensional Linearized Euler Solver

NASA Technical Reports Server (NTRS)

Reddy, T. S. R.; Srivastava, R.; Mehmed, O.

1999-01-01

Flutter and forced response analyses for a cascade of blades in subsonic and transonic flow is presented. The structural model for each blade is a typical section with bending and torsion degrees of freedom. The unsteady aerodynamic forces due to bending and torsion motions. and due to a vortical gust disturbance are obtained by solving unsteady linearized Euler equations. The unsteady linearized equations are obtained by linearizing the unsteady nonlinear equations about the steady flow. The predicted unsteady aerodynamic forces include the effect of steady aerodynamic loading due to airfoil shape, thickness and angle of attack. The aeroelastic equations are solved in the frequency domain by coupling the un- steady aerodynamic forces to the aeroelastic solver MISER. The present unsteady aerodynamic solver showed good correlation with published results for both flutter and forced response predictions. Further improvements are required to use the unsteady aerodynamic solver in a design cycle.

USM3D Unstructured Grid Solutions for CAWAPI at NASA LaRC

NASA Technical Reports Server (NTRS)

Lamar, John E.; Abdol-Hamid, Khaled S.

2007-01-01

In support the Cranked Arrow Wing Aerodynamic Project International (CAWAPI) to improve the Technology Readiness Level of flow solvers by comparing results with measured F-16XL-1 flight data, NASA Langley employed the TetrUSS unstructured grid solver, USM3D, to obtain solutions for all seven flight conditions of interest. A newly available solver version that incorporates a number of turbulence models, including the two-equation linear and non-linear k-epsilon, was used in this study. As a first test, a choice was made to utilize only a single grid resolution with the solver for the simulation of the different flight conditions. Comparisons are presented with three turbulence models in USM3D, flight data for surface pressure, boundary-layer profiles, and skin-friction results, as well as limited predictions from other solvers. A result of these comparisons is that the USM3D solver can be used in an engineering environment to predict flow physics on a complex configuration at flight Reynolds numbers with a two-equation linear k-epsilon turbulence model.

Summer Proceedings 2016: The Center for Computing Research at Sandia National Laboratories

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carleton, James Brian; Parks, Michael L.

Solving sparse linear systems from the discretization of elliptic partial differential equations (PDEs) is an important building block in many engineering applications. Sparse direct solvers can solve general linear systems, but are usually slower and use much more memory than effective iterative solvers. To overcome these two disadvantages, a hierarchical solver (LoRaSp) based on H2-matrices was introduced in [22]. Here, we have developed a parallel version of the algorithm in LoRaSp to solve large sparse matrices on distributed memory machines. On a single processor, the factorization time of our parallel solver scales almost linearly with the problem size for three-dimensionalmore » problems, as opposed to the quadratic scalability of many existing sparse direct solvers. Moreover, our solver leads to almost constant numbers of iterations, when used as a preconditioner for Poisson problems. On more than one processor, our algorithm has significant speedups compared to sequential runs. With this parallel algorithm, we are able to solve large problems much faster than many existing packages as demonstrated by the numerical experiments.« less

Fast solution of elliptic partial differential equations using linear combinations of plane waves.

PubMed

Pérez-Jordá, José M

2016-02-01

Given an arbitrary elliptic partial differential equation (PDE), a procedure for obtaining its solution is proposed based on the method of Ritz: the solution is written as a linear combination of plane waves and the coefficients are obtained by variational minimization. The PDE to be solved is cast as a system of linear equations Ax=b, where the matrix A is not sparse, which prevents the straightforward application of standard iterative methods in order to solve it. This sparseness problem can be circumvented by means of a recursive bisection approach based on the fast Fourier transform, which makes it possible to implement fast versions of some stationary iterative methods (such as Gauss-Seidel) consuming O(NlogN) memory and executing an iteration in O(Nlog(2)N) time, N being the number of plane waves used. In a similar way, fast versions of Krylov subspace methods and multigrid methods can also be implemented. These procedures are tested on Poisson's equation expressed in adaptive coordinates. It is found that the best results are obtained with the GMRES method using a multigrid preconditioner with Gauss-Seidel relaxation steps.

Menu-Driven Solver Of Linear-Programming Problems

NASA Technical Reports Server (NTRS)

Viterna, L. A.; Ferencz, D.

1992-01-01

Program assists inexperienced user in formulating linear-programming problems. A Linear Program Solver (ALPS) computer program is full-featured LP analysis program. Solves plain linear-programming problems as well as more-complicated mixed-integer and pure-integer programs. Also contains efficient technique for solution of purely binary linear-programming problems. Written entirely in IBM's APL2/PC software, Version 1.01. Packed program contains licensed material, property of IBM (copyright 1988, all rights reserved).

A Flexible CUDA LU-based Solver for Small, Batched Linear Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tumeo, Antonino; Gawande, Nitin A.; Villa, Oreste

This chapter presents the implementation of a batched CUDA solver based on LU factorization for small linear systems. This solver may be used in applications such as reactive flow transport models, which apply the Newton-Raphson technique to linearize and iteratively solve the sets of non linear equations that represent the reactions for ten of thousands to millions of physical locations. The implementation exploits somewhat counterintuitive GPGPU programming techniques: it assigns the solution of a matrix (representing a system) to a single CUDA thread, does not exploit shared memory and employs dynamic memory allocation on the GPUs. These techniques enable ourmore » implementation to simultaneously solve sets of systems with over 100 equations and to employ LU decomposition with complete pivoting, providing the higher numerical accuracy required by certain applications. Other currently available solutions for batched linear solvers are limited by size and only support partial pivoting, although they may result faster in certain conditions. We discuss the code of our implementation and present a comparison with the other implementations, discussing the various tradeoffs in terms of performance and flexibility. This work will enable developers that need batched linear solvers to choose whichever implementation is more appropriate to the features and the requirements of their applications, and even to implement dynamic switching approaches that can choose the best implementation depending on the input data.« less

A new finite element and finite difference hybrid method for computing electrostatics of ionic solvated biomolecule

NASA Astrophysics Data System (ADS)

Ying, Jinyong; Xie, Dexuan

2015-10-01

The Poisson-Boltzmann equation (PBE) is one widely-used implicit solvent continuum model for calculating electrostatics of ionic solvated biomolecule. In this paper, a new finite element and finite difference hybrid method is presented to solve PBE efficiently based on a special seven-overlapped box partition with one central box containing the solute region and surrounded by six neighboring boxes. In particular, an efficient finite element solver is applied to the central box while a fast preconditioned conjugate gradient method using a multigrid V-cycle preconditioning is constructed for solving a system of finite difference equations defined on a uniform mesh of each neighboring box. Moreover, the PBE domain, the box partition, and an interface fitted tetrahedral mesh of the central box can be generated adaptively for a given PQR file of a biomolecule. This new hybrid PBE solver is programmed in C, Fortran, and Python as a software tool for predicting electrostatics of a biomolecule in a symmetric 1:1 ionic solvent. Numerical results on two test models with analytical solutions and 12 proteins validate this new software tool, and demonstrate its high performance in terms of CPU time and memory usage.

Acceleration of Linear Finite-Difference Poisson-Boltzmann Methods on Graphics Processing Units.

PubMed

Qi, Ruxi; Botello-Smith, Wesley M; Luo, Ray

2017-07-11

Electrostatic interactions play crucial roles in biophysical processes such as protein folding and molecular recognition. Poisson-Boltzmann equation (PBE)-based models have emerged as widely used in modeling these important processes. Though great efforts have been put into developing efficient PBE numerical models, challenges still remain due to the high dimensionality of typical biomolecular systems. In this study, we implemented and analyzed commonly used linear PBE solvers for the ever-improving graphics processing units (GPU) for biomolecular simulations, including both standard and preconditioned conjugate gradient (CG) solvers with several alternative preconditioners. Our implementation utilizes the standard Nvidia CUDA libraries cuSPARSE, cuBLAS, and CUSP. Extensive tests show that good numerical accuracy can be achieved given that the single precision is often used for numerical applications on GPU platforms. The optimal GPU performance was observed with the Jacobi-preconditioned CG solver, with a significant speedup over standard CG solver on CPU in our diversified test cases. Our analysis further shows that different matrix storage formats also considerably affect the efficiency of different linear PBE solvers on GPU, with the diagonal format best suited for our standard finite-difference linear systems. Further efficiency may be possible with matrix-free operations and integrated grid stencil setup specifically tailored for the banded matrices in PBE-specific linear systems.

Performance of uncertainty quantification methodologies and linear solvers in cardiovascular simulations

NASA Astrophysics Data System (ADS)

Seo, Jongmin; Schiavazzi, Daniele; Marsden, Alison

2017-11-01

Cardiovascular simulations are increasingly used in clinical decision making, surgical planning, and disease diagnostics. Patient-specific modeling and simulation typically proceeds through a pipeline from anatomic model construction using medical image data to blood flow simulation and analysis. To provide confidence intervals on simulation predictions, we use an uncertainty quantification (UQ) framework to analyze the effects of numerous uncertainties that stem from clinical data acquisition, modeling, material properties, and boundary condition selection. However, UQ poses a computational challenge requiring multiple evaluations of the Navier-Stokes equations in complex 3-D models. To achieve efficiency in UQ problems with many function evaluations, we implement and compare a range of iterative linear solver and preconditioning techniques in our flow solver. We then discuss applications to patient-specific cardiovascular simulation and how the problem/boundary condition formulation in the solver affects the selection of the most efficient linear solver. Finally, we discuss performance improvements in the context of uncertainty propagation. Support from National Institute of Health (R01 EB018302) is greatly appreciated.

Multigrid calculation of three-dimensional viscous cascade flows

NASA Technical Reports Server (NTRS)

Arnone, A.; Liou, M.-S.; Povinelli, L. A.

1991-01-01

A 3-D code for viscous cascade flow prediction was developed. The space discretization uses a cell-centered scheme with eigenvalue scaling to weigh the artificial dissipation terms. Computational efficiency of a four stage Runge-Kutta scheme is enhanced by using variable coefficients, implicit residual smoothing, and a full multigrid method. The Baldwin-Lomax eddy viscosity model is used for turbulence closure. A zonal, nonperiodic grid is used to minimize mesh distortion in and downstream of the throat region. Applications are presented for an annular vane with and without end wall contouring, and for a large scale linear cascade. The calculation is validated by comparing with experiments and by studying grid dependency.

Multigrid calculation of three-dimensional viscous cascade flows

NASA Technical Reports Server (NTRS)

Arnone, A.; Liou, M.-S.; Povinelli, L. A.

1991-01-01

A three-dimensional code for viscous cascade flow prediction has been developed. The space discretization uses a cell-centered scheme with eigenvalue scaling to weigh the artificial dissipation terms. Computational efficiency of a four-stage Runge-Kutta scheme is enhanced by using variable coefficients, implicit residual smoothing, and a full-multigrid method. The Baldwin-Lomax eddy-viscosity model is used for turbulence closure. A zonal, nonperiodic grid is used to minimize mesh distortion in and downstream of the throat region. Applications are presented for an annular vane with and without end wall contouring, and for a large-scale linear cascade. The calculation is validated by comparing with experiments and by studying grid dependency.

A computational study of the use of an optimization-based method for simulating large multibody systems.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Petra, C.; Gavrea, B.; Anitescu, M.

2009-01-01

The present work aims at comparing the performance of several quadratic programming (QP) solvers for simulating large-scale frictional rigid-body systems. Traditional time-stepping schemes for simulation of multibody systems are formulated as linear complementarity problems (LCPs) with copositive matrices. Such LCPs are generally solved by means of Lemke-type algorithms and solvers such as the PATH solver proved to be robust. However, for large systems, the PATH solver or any other pivotal algorithm becomes unpractical from a computational point of view. The convex relaxation proposed by one of the authors allows the formulation of the integration step as a QPD, for whichmore » a wide variety of state-of-the-art solvers are available. In what follows we report the results obtained solving that subproblem when using the QP solvers MOSEK, OOQP, TRON, and BLMVM. OOQP is presented with both the symmetric indefinite solver MA27 and our Cholesky reformulation using the CHOLMOD package. We investigate computational performance and address the correctness of the results from a modeling point of view. We conclude that the OOQP solver, particularly with the CHOLMOD linear algebra solver, has predictable performance and memory use patterns and is far more competitive for these problems than are the other solvers.« less

FoSSI: the family of simplified solver interfaces for the rapid development of parallel numerical atmosphere and ocean models

NASA Astrophysics Data System (ADS)

Frickenhaus, Stephan; Hiller, Wolfgang; Best, Meike

The portable software FoSSI is introduced that—in combination with additional free solver software packages—allows for an efficient and scalable parallel solution of large sparse linear equations systems arising in finite element model codes. FoSSI is intended to support rapid model code development, completely hiding the complexity of the underlying solver packages. In particular, the model developer need not be an expert in parallelization and is yet free to switch between different solver packages by simple modifications of the interface call. FoSSI offers an efficient and easy, yet flexible interface to several parallel solvers, most of them available on the web, such as PETSC, AZTEC, MUMPS, PILUT and HYPRE. FoSSI makes use of the concept of handles for vectors, matrices, preconditioners and solvers, that is frequently used in solver libraries. Hence, FoSSI allows for a flexible treatment of several linear equations systems and associated preconditioners at the same time, even in parallel on separate MPI-communicators. The second special feature in FoSSI is the task specifier, being a combination of keywords, each configuring a certain phase in the solver setup. This enables the user to control a solver over one unique subroutine. Furthermore, FoSSI has rather similar features for all solvers, making a fast solver intercomparison or exchange an easy task. FoSSI is a community software, proven in an adaptive 2D-atmosphere model and a 3D-primitive equation ocean model, both formulated in finite elements. The present paper discusses perspectives of an OpenMP-implementation of parallel iterative solvers based on domain decomposition methods. This approach to OpenMP solvers is rather attractive, as the code for domain-local operations of factorization, preconditioning and matrix-vector product can be readily taken from a sequential implementation that is also suitable to be used in an MPI-variant. Code development in this direction is in an advanced state under the name ScOPES: the Scalable Open Parallel sparse linear Equations Solver.

An algebraic multigrid method for Q2-Q1 mixed discretizations of the Navier-Stokes equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prokopenko, Andrey; Tuminaro, Raymond S.

Algebraic multigrid (AMG) preconditioners are considered for discretized systems of partial differential equations (PDEs) where unknowns associated with different physical quantities are not necessarily co-located at mesh points. Speci cally, we investigate a Q 2-Q 1 mixed finite element discretization of the incompressible Navier-Stokes equations where the number of velocity nodes is much greater than the number of pressure nodes. Consequently, some velocity degrees-of-freedom (dofs) are defined at spatial locations where there are no corresponding pressure dofs. Thus, AMG approaches lever- aging this co-located structure are not applicable. This paper instead proposes an automatic AMG coarsening that mimics certain pressure/velocitymore » dof relationships of the Q 2-Q 1 discretization. The main idea is to first automatically define coarse pressures in a somewhat standard AMG fashion and then to carefully (but automatically) choose coarse velocity unknowns so that the spatial location relationship between pressure and velocity dofs resembles that on the nest grid. To define coefficients within the inter-grid transfers, an energy minimization AMG (EMIN-AMG) is utilized. EMIN-AMG is not tied to specific coarsening schemes and grid transfer sparsity patterns, and so it is applicable to the proposed coarsening. Numerical results highlighting solver performance are given on Stokes and incompressible Navier-Stokes problems.« less

An algebraic multigrid method for Q2-Q1 mixed discretizations of the Navier-Stokes equations

DOE PAGES

Prokopenko, Andrey; Tuminaro, Raymond S.

2016-07-01

Algebraic multigrid (AMG) preconditioners are considered for discretized systems of partial differential equations (PDEs) where unknowns associated with different physical quantities are not necessarily co-located at mesh points. Speci cally, we investigate a Q 2-Q 1 mixed finite element discretization of the incompressible Navier-Stokes equations where the number of velocity nodes is much greater than the number of pressure nodes. Consequently, some velocity degrees-of-freedom (dofs) are defined at spatial locations where there are no corresponding pressure dofs. Thus, AMG approaches lever- aging this co-located structure are not applicable. This paper instead proposes an automatic AMG coarsening that mimics certain pressure/velocitymore » dof relationships of the Q 2-Q 1 discretization. The main idea is to first automatically define coarse pressures in a somewhat standard AMG fashion and then to carefully (but automatically) choose coarse velocity unknowns so that the spatial location relationship between pressure and velocity dofs resembles that on the nest grid. To define coefficients within the inter-grid transfers, an energy minimization AMG (EMIN-AMG) is utilized. EMIN-AMG is not tied to specific coarsening schemes and grid transfer sparsity patterns, and so it is applicable to the proposed coarsening. Numerical results highlighting solver performance are given on Stokes and incompressible Navier-Stokes problems.« less

Final report for''FOSPACK''

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ruge, J W; Dean, D

2000-11-20

The goal of this subcontract was to modify the FOSPACK code, developed by John Ruge, to call the BoomerAMG solver developed at LLNL through the HYPRE interface. FOSPACK is a package developed for the automatic discretization and solution of First-Order System Least-Squares (FOSLS) formulations of 2D partial differential equations (c.f [3-9]). FOSPACK takes a user-specified mesh (which can be an unstructured combination of triangular and quadrilateral elements) and specification of the first-order system, and produces the discretizations needed for solution. Generally, all specifications are contained in data files, so no re-compilation is necessary when changing domains, mesh sizes, problems, etc.more » Much of the work in FOSPACK has gone into an interpreter that allows for simple, intuitive specification of the equations. The interpreter reads the equations, processes them, and stores them as instruction lists needed to apply the operators involved to finite element basis functions, allowing assembly of the discrete system. Quite complex equations may be specified, including variable coefficients, user defined functions, and vector notation. The first-order systems may be nonlinear, with linearizations either performed automatically, or specified in a convenient way by the user. The program also includes global/local refinement capability. FOSLS formulations are very well suited for solution by algebraic multigrid (AMG) (c.f. [10-13]). The original version uses a version of algebraic multigrid written by John Ruge in FORTRAN 77, and modified somewhat for use with FOSPACK. BoomerAMG, a version of AMG developed at CASC, has a number of advantages over the FORTRAN version, including dynamic memory allocation and parallel capability. This project was to benefit both FRSC and CASC, giving FOSPACK the advantages of BoomerAMG, while giving CASC a tool for testing FOSLS as a discretization method for problems of interest there. The major parts of this work were implementation and testing of the HYPRE package on our computers, writing a C wrapper/driver for the FOSPACK code, and modifying the wrapper to call BoomerAMG through the HYPRE interface.« less

Scalable Parallel Computation for Extended MHD Modeling of Fusion Plasmas

NASA Astrophysics Data System (ADS)

Glasser, Alan H.

2008-11-01

Parallel solution of a linear system is scalable if simultaneously doubling the number of dependent variables and the number of processors results in little or no increase in the computation time to solution. Two approaches have this property for parabolic systems: multigrid and domain decomposition. Since extended MHD is primarily a hyperbolic rather than a parabolic system, additional steps must be taken to parabolize the linear system to be solved by such a method. Such physics-based preconditioning (PBP) methods have been pioneered by Chac'on, using finite volumes for spatial discretization, multigrid for solution of the preconditioning equations, and matrix-free Newton-Krylov methods for the accurate solution of the full nonlinear preconditioned equations. The work described here is an extension of these methods using high-order spectral element methods and FETI-DP domain decomposition. Application of PBP to a flux-source representation of the physics equations is discussed. The resulting scalability will be demonstrated for simple wave and for ideal and Hall MHD waves.

Multilevel Preconditioners for Reaction-Diffusion Problems with Discontinuous Coefficients

DOE PAGES

Kolev, Tzanio V.; Xu, Jinchao; Zhu, Yunrong

2015-08-23

In this study, we extend some of the multilevel convergence results obtained by Xu and Zhu, to the case of second order linear reaction-diffusion equations. Specifically, we consider the multilevel preconditioners for solving the linear systems arising from the linear finite element approximation of the problem, where both diffusion and reaction coefficients are piecewise-constant functions. We discuss in detail the influence of both the discontinuous reaction and diffusion coefficients to the performance of the classical BPX and multigrid V-cycle preconditioner.

The Effects of Dissipation and Coarse Grid Resolution for Multigrid in Flow Problems

NASA Technical Reports Server (NTRS)

Eliasson, Peter; Engquist, Bjoern

1996-01-01

The objective of this paper is to investigate the effects of the numerical dissipation and the resolution of the solution on coarser grids for multigrid with the Euler equation approximations. The convergence is accomplished by multi-stage explicit time-stepping to steady state accelerated by FAS multigrid. A theoretical investigation is carried out for linear hyperbolic equations in one and two dimensions. The spectra reveals that for stability and hence robustness of spatial discretizations with a small amount of numerical dissipation the grid transfer operators have to be accurate enough and the smoother of low temporal accuracy. Numerical results give grid independent convergence in one dimension. For two-dimensional problems with a small amount of numerical dissipation, however, only a few grid levels contribute to an increased speed of convergence. This is explained by the small numerical dissipation leading to dispersion. Increasing the mesh density and hence making the problem over resolved increases the number of mesh levels contributing to an increased speed of convergence. If the steady state equations are elliptic, all grid levels contribute to the convergence regardless of the mesh density.

On improving linear solver performance: a block variant of GMRES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baker, A H; Dennis, J M; Jessup, E R

2004-05-10

The increasing gap between processor performance and memory access time warrants the re-examination of data movement in iterative linear solver algorithms. For this reason, we explore and establish the feasibility of modifying a standard iterative linear solver algorithm in a manner that reduces the movement of data through memory. In particular, we present an alternative to the restarted GMRES algorithm for solving a single right-hand side linear system Ax = b based on solving the block linear system AX = B. Algorithm performance, i.e. time to solution, is improved by using the matrix A in operations on groups of vectors.more » Experimental results demonstrate the importance of implementation choices on data movement as well as the effectiveness of the new method on a variety of problems from different application areas.« less

Efficient solvers for coupled models in respiratory mechanics.

PubMed

Verdugo, Francesc; Roth, Christian J; Yoshihara, Lena; Wall, Wolfgang A

2017-02-01

We present efficient preconditioners for one of the most physiologically relevant pulmonary models currently available. Our underlying motivation is to enable the efficient simulation of such a lung model on high-performance computing platforms in order to assess mechanical ventilation strategies and contributing to design more protective patient-specific ventilation treatments. The system of linear equations to be solved using the proposed preconditioners is essentially the monolithic system arising in fluid-structure interaction (FSI) extended by additional algebraic constraints. The introduction of these constraints leads to a saddle point problem that cannot be solved with usual FSI preconditioners available in the literature. The key ingredient in this work is to use the idea of the semi-implicit method for pressure-linked equations (SIMPLE) for getting rid of the saddle point structure, resulting in a standard FSI problem that can be treated with available techniques. The numerical examples show that the resulting preconditioners approach the optimal performance of multigrid methods, even though the lung model is a complex multiphysics problem. Moreover, the preconditioners are robust enough to deal with physiologically relevant simulations involving complex real-world patient-specific lung geometries. The same approach is applicable to other challenging biomedical applications where coupling between flow and tissue deformations is modeled with additional algebraic constraints. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

ACCURATE SOLUTION AND GRADIENT COMPUTATION FOR ELLIPTIC INTERFACE PROBLEMS WITH VARIABLE COEFFICIENTS

PubMed Central

LI, ZHILIN; JI, HAIFENG; CHEN, XIAOHONG

2016-01-01

A new augmented method is proposed for elliptic interface problems with a piecewise variable coefficient that has a finite jump across a smooth interface. The main motivation is not only to get a second order accurate solution but also a second order accurate gradient from each side of the interface. The key of the new method is to introduce the jump in the normal derivative of the solution as an augmented variable and re-write the interface problem as a new PDE that consists of a leading Laplacian operator plus lower order derivative terms near the interface. In this way, the leading second order derivatives jump relations are independent of the jump in the coefficient that appears only in the lower order terms after the scaling. An upwind type discretization is used for the finite difference discretization at the irregular grid points near or on the interface so that the resulting coefficient matrix is an M-matrix. A multi-grid solver is used to solve the linear system of equations and the GMRES iterative method is used to solve the augmented variable. Second order convergence for the solution and the gradient from each side of the interface has also been proved in this paper. Numerical examples for general elliptic interface problems have confirmed the theoretical analysis and efficiency of the new method. PMID:28983130

Fault tolerance in an inner-outer solver: A GVR-enabled case study

DOE PAGES

Zhang, Ziming; Chien, Andrew A.; Teranishi, Keita

2015-04-18

Resilience is a major challenge for large-scale systems. It is particularly important for iterative linear solvers, since they take much of the time of many scientific applications. We show that single bit flip errors in the Flexible GMRES iterative linear solver can lead to high computational overhead or even failure to converge to the right answer. Informed by these results, we design and evaluate several strategies for fault tolerance in both inner and outer solvers appropriate across a range of error rates. We implement them, extending Trilinos’ solver library with the Global View Resilience (GVR) programming model, which provides multi-streammore » snapshots, multi-version data structures with portable and rich error checking/recovery. Lastly, experimental results validate correct execution with low performance overhead under varied error conditions.« less

HONEI: A collection of libraries for numerical computations targeting multiple processor architectures

NASA Astrophysics Data System (ADS)

van Dyk, Danny; Geveler, Markus; Mallach, Sven; Ribbrock, Dirk; Göddeke, Dominik; Gutwenger, Carsten

2009-12-01

We present HONEI, an open-source collection of libraries offering a hardware oriented approach to numerical calculations. HONEI abstracts the hardware, and applications written on top of HONEI can be executed on a wide range of computer architectures such as CPUs, GPUs and the Cell processor. We demonstrate the flexibility and performance of our approach with two test applications, a Finite Element multigrid solver for the Poisson problem and a robust and fast simulation of shallow water waves. By linking against HONEI's libraries, we achieve a two-fold speedup over straight forward C++ code using HONEI's SSE backend, and additional 3-4 and 4-16 times faster execution on the Cell and a GPU. A second important aspect of our approach is that the full performance capabilities of the hardware under consideration can be exploited by adding optimised application-specific operations to the HONEI libraries. HONEI provides all necessary infrastructure for development and evaluation of such kernels, significantly simplifying their development. Program summaryProgram title: HONEI Catalogue identifier: AEDW_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEDW_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GPLv2 No. of lines in distributed program, including test data, etc.: 216 180 No. of bytes in distributed program, including test data, etc.: 1 270 140 Distribution format: tar.gz Programming language: C++ Computer: x86, x86_64, NVIDIA CUDA GPUs, Cell blades and PlayStation 3 Operating system: Linux RAM: at least 500 MB free Classification: 4.8, 4.3, 6.1 External routines: SSE: none; [1] for GPU, [2] for Cell backend Nature of problem: Computational science in general and numerical simulation in particular have reached a turning point. The revolution developers are facing is not primarily driven by a change in (problem-specific) methodology, but rather by the fundamental paradigm shift of the underlying hardware towards heterogeneity and parallelism. This is particularly relevant for data-intensive problems stemming from discretisations with local support, such as finite differences, volumes and elements. Solution method: To address these issues, we present a hardware aware collection of libraries combining the advantages of modern software techniques and hardware oriented programming. Applications built on top of these libraries can be configured trivially to execute on CPUs, GPUs or the Cell processor. In order to evaluate the performance and accuracy of our approach, we provide two domain specific applications; a multigrid solver for the Poisson problem and a fully explicit solver for 2D shallow water equations. Restrictions: HONEI is actively being developed, and its feature list is continuously expanded. Not all combinations of operations and architectures might be supported in earlier versions of the code. Obtaining snapshots from http://www.honei.org is recommended. Unusual features: The considered applications as well as all library operations can be run on NVIDIA GPUs and the Cell BE. Running time: Depending on the application, and the input sizes. The Poisson solver executes in few seconds, while the SWE solver requires up to 5 minutes for large spatial discretisations or small timesteps. References:http://www.nvidia.com/cuda. http://www.ibm.com/developerworks/power/cell.

A Note on Multigrid Theory for Non-nested Grids and/or Quadrature

NASA Technical Reports Server (NTRS)

Douglas, C. C.; Douglas, J., Jr.; Fyfe, D. E.

1996-01-01

We provide a unified theory for multilevel and multigrid methods when the usual assumptions are not present. For example, we do not assume that the solution spaces or the grids are nested. Further, we do not assume that there is an algebraic relationship between the linear algebra problems on different levels. What we provide is a computationally useful theory for adaptively changing levels. Theory is provided for multilevel correction schemes, nested iteration schemes, and one way (i.e., coarse to fine grid with no correction iterations) schemes. We include examples showing the applicability of this theory: finite element examples using quadrature in the matrix assembly and finite volume examples with non-nested grids. Our theory applies directly to other discretizations as well.

Multidimensional Riemann problem with self-similar internal structure - part III - a multidimensional analogue of the HLLI Riemann solver for conservative hyperbolic systems

NASA Astrophysics Data System (ADS)

Balsara, Dinshaw S.; Nkonga, Boniface

2017-10-01

Just as the quality of a one-dimensional approximate Riemann solver is improved by the inclusion of internal sub-structure, the quality of a multidimensional Riemann solver is also similarly improved. Such multidimensional Riemann problems arise when multiple states come together at the vertex of a mesh. The interaction of the resulting one-dimensional Riemann problems gives rise to a strongly-interacting state. We wish to endow this strongly-interacting state with physically-motivated sub-structure. The fastest way of endowing such sub-structure consists of making a multidimensional extension of the HLLI Riemann solver for hyperbolic conservation laws. Presenting such a multidimensional analogue of the HLLI Riemann solver with linear sub-structure for use on structured meshes is the goal of this work. The multidimensional MuSIC Riemann solver documented here is universal in the sense that it can be applied to any hyperbolic conservation law. The multidimensional Riemann solver is made to be consistent with constraints that emerge naturally from the Galerkin projection of the self-similar states within the wave model. When the full eigenstructure in both directions is used in the present Riemann solver, it becomes a complete Riemann solver in a multidimensional sense. I.e., all the intermediate waves are represented in the multidimensional wave model. The work also presents, for the very first time, an important analysis of the dissipation characteristics of multidimensional Riemann solvers. The present Riemann solver results in the most efficient implementation of a multidimensional Riemann solver with sub-structure. Because it preserves stationary linearly degenerate waves, it might also help with well-balancing. Implementation-related details are presented in pointwise fashion for the one-dimensional HLLI Riemann solver as well as the multidimensional MuSIC Riemann solver.

A Fast Solver for Implicit Integration of the Vlasov--Poisson System in the Eulerian Framework

DOE Office of Scientific and Technical Information (OSTI.GOV)

Garrett, C. Kristopher; Hauck, Cory D.

In this paper, we present a domain decomposition algorithm to accelerate the solution of Eulerian-type discretizations of the linear, steady-state Vlasov equation. The steady-state solver then forms a key component in the implementation of fully implicit or nearly fully implicit temporal integrators for the nonlinear Vlasov--Poisson system. The solver relies on a particular decomposition of phase space that enables the use of sweeping techniques commonly used in radiation transport applications. The original linear system for the phase space unknowns is then replaced by a smaller linear system involving only unknowns on the boundary between subdomains, which can then be solvedmore » efficiently with Krylov methods such as GMRES. Steady-state solves are combined to form an implicit Runge--Kutta time integrator, and the Vlasov equation is coupled self-consistently to the Poisson equation via a linearized procedure or a nonlinear fixed-point method for the electric field. Finally, numerical results for standard test problems demonstrate the efficiency of the domain decomposition approach when compared to the direct application of an iterative solver to the original linear system.« less

A Fast Solver for Implicit Integration of the Vlasov--Poisson System in the Eulerian Framework

DOE PAGES

Garrett, C. Kristopher; Hauck, Cory D.

2018-04-05

In this paper, we present a domain decomposition algorithm to accelerate the solution of Eulerian-type discretizations of the linear, steady-state Vlasov equation. The steady-state solver then forms a key component in the implementation of fully implicit or nearly fully implicit temporal integrators for the nonlinear Vlasov--Poisson system. The solver relies on a particular decomposition of phase space that enables the use of sweeping techniques commonly used in radiation transport applications. The original linear system for the phase space unknowns is then replaced by a smaller linear system involving only unknowns on the boundary between subdomains, which can then be solvedmore » efficiently with Krylov methods such as GMRES. Steady-state solves are combined to form an implicit Runge--Kutta time integrator, and the Vlasov equation is coupled self-consistently to the Poisson equation via a linearized procedure or a nonlinear fixed-point method for the electric field. Finally, numerical results for standard test problems demonstrate the efficiency of the domain decomposition approach when compared to the direct application of an iterative solver to the original linear system.« less

Tree-based solvers for adaptive mesh refinement code FLASH - I: gravity and optical depths

NASA Astrophysics Data System (ADS)

Wünsch, R.; Walch, S.; Dinnbier, F.; Whitworth, A.

2018-04-01

We describe an OctTree algorithm for the MPI parallel, adaptive mesh refinement code FLASH, which can be used to calculate the gas self-gravity, and also the angle-averaged local optical depth, for treating ambient diffuse radiation. The algorithm communicates to the different processors only those parts of the tree that are needed to perform the tree-walk locally. The advantage of this approach is a relatively low memory requirement, important in particular for the optical depth calculation, which needs to process information from many different directions. This feature also enables a general tree-based radiation transport algorithm that will be described in a subsequent paper, and delivers excellent scaling up to at least 1500 cores. Boundary conditions for gravity can be either isolated or periodic, and they can be specified in each direction independently, using a newly developed generalization of the Ewald method. The gravity calculation can be accelerated with the adaptive block update technique by partially re-using the solution from the previous time-step. Comparison with the FLASH internal multigrid gravity solver shows that tree-based methods provide a competitive alternative, particularly for problems with isolated or mixed boundary conditions. We evaluate several multipole acceptance criteria (MACs) and identify a relatively simple approximate partial error MAC which provides high accuracy at low computational cost. The optical depth estimates are found to agree very well with those of the RADMC-3D radiation transport code, with the tree-solver being much faster. Our algorithm is available in the standard release of the FLASH code in version 4.0 and later.

LAPACKrc: Fast linear algebra kernels/solvers for FPGA accelerators

NASA Astrophysics Data System (ADS)

Gonzalez, Juan; Núñez, Rafael C.

2009-07-01

We present LAPACKrc, a family of FPGA-based linear algebra solvers able to achieve more than 100x speedup per commodity processor on certain problems. LAPACKrc subsumes some of the LAPACK and ScaLAPACK functionalities, and it also incorporates sparse direct and iterative matrix solvers. Current LAPACKrc prototypes demonstrate between 40x-150x speedup compared against top-of-the-line hardware/software systems. A technology roadmap is in place to validate current performance of LAPACKrc in HPC applications, and to increase the computational throughput by factors of hundreds within the next few years.

A Lagrangian meshfree method applied to linear and nonlinear elasticity.

PubMed

Walker, Wade A

2017-01-01

The repeated replacement method (RRM) is a Lagrangian meshfree method which we have previously applied to the Euler equations for compressible fluid flow. In this paper we present new enhancements to RRM, and we apply the enhanced method to both linear and nonlinear elasticity. We compare the results of ten test problems to those of analytic solvers, to demonstrate that RRM can successfully simulate these elastic systems without many of the requirements of traditional numerical methods such as numerical derivatives, equation system solvers, or Riemann solvers. We also show the relationship between error and computational effort for RRM on these systems, and compare RRM to other methods to highlight its strengths and weaknesses. And to further explain the two elastic equations used in the paper, we demonstrate the mathematical procedure used to create Riemann and Sedov-Taylor solvers for them, and detail the numerical techniques needed to embody those solvers in code.

A Lagrangian meshfree method applied to linear and nonlinear elasticity

PubMed Central

2017-01-01

The repeated replacement method (RRM) is a Lagrangian meshfree method which we have previously applied to the Euler equations for compressible fluid flow. In this paper we present new enhancements to RRM, and we apply the enhanced method to both linear and nonlinear elasticity. We compare the results of ten test problems to those of analytic solvers, to demonstrate that RRM can successfully simulate these elastic systems without many of the requirements of traditional numerical methods such as numerical derivatives, equation system solvers, or Riemann solvers. We also show the relationship between error and computational effort for RRM on these systems, and compare RRM to other methods to highlight its strengths and weaknesses. And to further explain the two elastic equations used in the paper, we demonstrate the mathematical procedure used to create Riemann and Sedov-Taylor solvers for them, and detail the numerical techniques needed to embody those solvers in code. PMID:29045443

A Comparative Study of Randomized Constraint Solvers for Random-Symbolic Testing

NASA Technical Reports Server (NTRS)

Takaki, Mitsuo; Cavalcanti, Diego; Gheyi, Rohit; Iyoda, Juliano; dAmorim, Marcelo; Prudencio, Ricardo

2009-01-01

The complexity of constraints is a major obstacle for constraint-based software verification. Automatic constraint solvers are fundamentally incomplete: input constraints often build on some undecidable theory or some theory the solver does not support. This paper proposes and evaluates several randomized solvers to address this issue. We compare the effectiveness of a symbolic solver (CVC3), a random solver, three hybrid solvers (i.e., mix of random and symbolic), and two heuristic search solvers. We evaluate the solvers on two benchmarks: one consisting of manually generated constraints and another generated with a concolic execution of 8 subjects. In addition to fully decidable constraints, the benchmarks include constraints with non-linear integer arithmetic, integer modulo and division, bitwise arithmetic, and floating-point arithmetic. As expected symbolic solving (in particular, CVC3) subsumes the other solvers for the concolic execution of subjects that only generate decidable constraints. For the remaining subjects the solvers are complementary.

Lattice QCD Calculations in Nuclear Physics towards the Exascale

NASA Astrophysics Data System (ADS)

Joo, Balint

2017-01-01

The combination of algorithmic advances and new highly parallel computing architectures are enabling lattice QCD calculations to tackle ever more complex problems in nuclear physics. In this talk I will review some computational challenges that are encountered in large scale cold nuclear physics campaigns such as those in hadron spectroscopy calculations. I will discuss progress in addressing these with algorithmic improvements such as multi-grid solvers and software for recent hardware architectures such as GPUs and Intel Xeon Phi, Knights Landing. Finally, I will highlight some current topics for research and development as we head towards the Exascale era This material is funded by the U.S. Department of Energy, Office Of Science, Offices of Nuclear Physics, High Energy Physics and Advanced Scientific Computing Research, as well as the Office of Nuclear Physics under contract DE-AC05-06OR23177.

A Note on Substructuring Preconditioning for Nonconforming Finite Element Approximations of Second Order Elliptic Problems

NASA Technical Reports Server (NTRS)

Maliassov, Serguei

1996-01-01

In this paper an algebraic substructuring preconditioner is considered for nonconforming finite element approximations of second order elliptic problems in 3D domains with a piecewise constant diffusion coefficient. Using a substructuring idea and a block Gauss elimination, part of the unknowns is eliminated and the Schur complement obtained is preconditioned by a spectrally equivalent very sparse matrix. In the case of quasiuniform tetrahedral mesh an appropriate algebraic multigrid solver can be used to solve the problem with this matrix. Explicit estimates of condition numbers and implementation algorithms are established for the constructed preconditioner. It is shown that the condition number of the preconditioned matrix does not depend on either the mesh step size or the jump of the coefficient. Finally, numerical experiments are presented to illustrate the theory being developed.

Scalable domain decomposition solvers for stochastic PDEs in high performance computing

DOE PAGES

Desai, Ajit; Khalil, Mohammad; Pettit, Chris; ...

2017-09-21

Stochastic spectral finite element models of practical engineering systems may involve solutions of linear systems or linearized systems for non-linear problems with billions of unknowns. For stochastic modeling, it is therefore essential to design robust, parallel and scalable algorithms that can efficiently utilize high-performance computing to tackle such large-scale systems. Domain decomposition based iterative solvers can handle such systems. And though these algorithms exhibit excellent scalabilities, significant algorithmic and implementational challenges exist to extend them to solve extreme-scale stochastic systems using emerging computing platforms. Intrusive polynomial chaos expansion based domain decomposition algorithms are extended here to concurrently handle high resolutionmore » in both spatial and stochastic domains using an in-house implementation. Sparse iterative solvers with efficient preconditioners are employed to solve the resulting global and subdomain level local systems through multi-level iterative solvers. We also use parallel sparse matrix–vector operations to reduce the floating-point operations and memory requirements. Numerical and parallel scalabilities of these algorithms are presented for the diffusion equation having spatially varying diffusion coefficient modeled by a non-Gaussian stochastic process. Scalability of the solvers with respect to the number of random variables is also investigated.« less

Scalable domain decomposition solvers for stochastic PDEs in high performance computing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Desai, Ajit; Khalil, Mohammad; Pettit, Chris

Stochastic spectral finite element models of practical engineering systems may involve solutions of linear systems or linearized systems for non-linear problems with billions of unknowns. For stochastic modeling, it is therefore essential to design robust, parallel and scalable algorithms that can efficiently utilize high-performance computing to tackle such large-scale systems. Domain decomposition based iterative solvers can handle such systems. And though these algorithms exhibit excellent scalabilities, significant algorithmic and implementational challenges exist to extend them to solve extreme-scale stochastic systems using emerging computing platforms. Intrusive polynomial chaos expansion based domain decomposition algorithms are extended here to concurrently handle high resolutionmore » in both spatial and stochastic domains using an in-house implementation. Sparse iterative solvers with efficient preconditioners are employed to solve the resulting global and subdomain level local systems through multi-level iterative solvers. We also use parallel sparse matrix–vector operations to reduce the floating-point operations and memory requirements. Numerical and parallel scalabilities of these algorithms are presented for the diffusion equation having spatially varying diffusion coefficient modeled by a non-Gaussian stochastic process. Scalability of the solvers with respect to the number of random variables is also investigated.« less

Development of an Unstructured Mesh Code for Flows About Complete Vehicles

NASA Technical Reports Server (NTRS)

Peraire, Jaime; Gupta, K. K. (Technical Monitor)

2001-01-01

This report describes the research work undertaken at the Massachusetts Institute of Technology, under NASA Research Grant NAG4-157. The aim of this research is to identify effective algorithms and methodologies for the efficient and routine solution of flow simulations about complete vehicle configurations. For over ten years we have received support from NASA to develop unstructured mesh methods for Computational Fluid Dynamics. As a result of this effort a methodology based on the use of unstructured adapted meshes of tetrahedra and finite volume flow solvers has been developed. A number of gridding algorithms, flow solvers, and adaptive strategies have been proposed. The most successful algorithms developed from the basis of the unstructured mesh system FELISA. The FELISA system has been extensively for the analysis of transonic and hypersonic flows about complete vehicle configurations. The system is highly automatic and allows for the routine aerodynamic analysis of complex configurations starting from CAD data. The code has been parallelized and utilizes efficient solution algorithms. For hypersonic flows, a version of the code which incorporates real gas effects, has been produced. The FELISA system is also a component of the STARS aeroservoelastic system developed at NASA Dryden. One of the latest developments before the start of this grant was to extend the system to include viscous effects. This required the development of viscous generators, capable of generating the anisotropic grids required to represent boundary layers, and viscous flow solvers. We show some sample hypersonic viscous computations using the developed viscous generators and solvers. Although this initial results were encouraging it became apparent that in order to develop a fully functional capability for viscous flows, several advances in solution accuracy, robustness and efficiency were required. In this grant we set out to investigate some novel methodologies that could lead to the required improvements. In particular we focused on two fronts: (1) finite element methods and (2) iterative algebraic multigrid solution techniques.

Multigrid methods for flow transition in three-dimensional boundary layers with surface roughness

NASA Technical Reports Server (NTRS)

Liu, Chaoqun; Liu, Zhining; Mccormick, Steve

1993-01-01

The efficient multilevel adaptive method has been successfully applied to perform direct numerical simulations (DNS) of flow transition in 3-D channels and 3-D boundary layers with 2-D and 3-D isolated and distributed roughness in a curvilinear coordinate system. A fourth-order finite difference technique on stretched and staggered grids, a fully-implicit time marching scheme, a semi-coarsening multigrid method associated with line distributive relaxation scheme, and an improved outflow boundary-condition treatment, which needs only a very short buffer domain to damp all order-one wave reflections, are developed. These approaches make the multigrid DNS code very accurate and efficient. This allows us not only to be able to do spatial DNS for the 3-D channel and flat plate at low computational costs, but also to do spatial DNS for transition in the 3-D boundary layer with 3-D single and multiple roughness elements, which would have extremely high computational costs with conventional methods. Numerical results show good agreement with the linear stability theory, the secondary instability theory, and a number of laboratory experiments. The contribution of isolated and distributed roughness to transition is analyzed.

A Cell-Centered Multigrid Algorithm for All Grid Sizes

NASA Technical Reports Server (NTRS)

Gjesdal, Thor

1996-01-01

Multigrid methods are optimal; that is, their rate of convergence is independent of the number of grid points, because they use a nested sequence of coarse grids to represent different scales of the solution. This nesting does, however, usually lead to certain restrictions of the permissible size of the discretised problem. In cases where the modeler is free to specify the whole problem, such constraints are of little importance because they can be taken into consideration from the outset. We consider the situation in which there are other competing constraints on the resolution. These restrictions may stem from the physical problem (e.g., if the discretised operator contains experimental data measured on a fixed grid) or from the need to avoid limitations set by the hardware. In this paper we discuss a modification to the cell-centered multigrid algorithm, so that it can be used br problems with any resolution. We discuss in particular a coarsening strategy and choice of intergrid transfer operators that can handle grids with both an even or odd number of cells. The method is described and applied to linear equations obtained by discretization of two- and three-dimensional second-order elliptic PDEs.

Monolithic multigrid method for the coupled Stokes flow and deformable porous medium system

NASA Astrophysics Data System (ADS)

Luo, P.; Rodrigo, C.; Gaspar, F. J.; Oosterlee, C. W.

2018-01-01

The interaction between fluid flow and a deformable porous medium is a complicated multi-physics problem, which can be described by a coupled model based on the Stokes and poroelastic equations. A monolithic multigrid method together with either a coupled Vanka smoother or a decoupled Uzawa smoother is employed as an efficient numerical technique for the linear discrete system obtained by finite volumes on staggered grids. A specialty in our modeling approach is that at the interface of the fluid and poroelastic medium, two unknowns from the different subsystems are defined at the same grid point. We propose a special discretization at and near the points on the interface, which combines the approximation of the governing equations and the considered interface conditions. In the decoupled Uzawa smoother, Local Fourier Analysis (LFA) helps us to select optimal values of the relaxation parameter appearing. To implement the monolithic multigrid method, grid partitioning is used to deal with the interface updates when communication is required between two subdomains. Numerical experiments show that the proposed numerical method has an excellent convergence rate. The efficiency and robustness of the method are confirmed in numerical experiments with typically small realistic values of the physical coefficients.

Multigrid techniques for unstructured meshes

NASA Technical Reports Server (NTRS)

Mavriplis, D. J.

1995-01-01

An overview of current multigrid techniques for unstructured meshes is given. The basic principles of the multigrid approach are first outlined. Application of these principles to unstructured mesh problems is then described, illustrating various different approaches, and giving examples of practical applications. Advanced multigrid topics, such as the use of algebraic multigrid methods, and the combination of multigrid techniques with adaptive meshing strategies are dealt with in subsequent sections. These represent current areas of research, and the unresolved issues are discussed. The presentation is organized in an educational manner, for readers familiar with computational fluid dynamics, wishing to learn more about current unstructured mesh techniques.

Multigrid direct numerical simulation of the whole process of flow transition in 3-D boundary layers

NASA Technical Reports Server (NTRS)

Liu, Chaoqun; Liu, Zhining

1993-01-01

A new technology was developed in this study which provides a successful numerical simulation of the whole process of flow transition in 3-D boundary layers, including linear growth, secondary instability, breakdown, and transition at relatively low CPU cost. Most other spatial numerical simulations require high CPU cost and blow up at the stage of flow breakdown. A fourth-order finite difference scheme on stretched and staggered grids, a fully implicit time marching technique, a semi-coarsening multigrid based on the so-called approximate line-box relaxation, and a buffer domain for the outflow boundary conditions were all used for high-order accuracy, good stability, and fast convergence. A new fine-coarse-fine grid mapping technique was developed to keep the code running after the laminar flow breaks down. The computational results are in good agreement with linear stability theory, secondary instability theory, and some experiments. The cost for a typical case with 162 x 34 x 34 grid is around 2 CRAY-YMP CPU hours for 10 T-S periods.

ASTROP2-LE: A Mistuned Aeroelastic Analysis System Based on a Two Dimensional Linearized Euler Solver

NASA Technical Reports Server (NTRS)

Reddy, T. S. R.; Srivastava, R.; Mehmed, Oral

2002-01-01

An aeroelastic analysis system for flutter and forced response analysis of turbomachines based on a two-dimensional linearized unsteady Euler solver has been developed. The ASTROP2 code, an aeroelastic stability analysis program for turbomachinery, was used as a basis for this development. The ASTROP2 code uses strip theory to couple a two dimensional aerodynamic model with a three dimensional structural model. The code was modified to include forced response capability. The formulation was also modified to include aeroelastic analysis with mistuning. A linearized unsteady Euler solver, LINFLX2D is added to model the unsteady aerodynamics in ASTROP2. By calculating the unsteady aerodynamic loads using LINFLX2D, it is possible to include the effects of transonic flow on flutter and forced response in the analysis. The stability is inferred from an eigenvalue analysis. The revised code, ASTROP2-LE for ASTROP2 code using Linearized Euler aerodynamics, is validated by comparing the predictions with those obtained using linear unsteady aerodynamic solutions.

The multigrid preconditioned conjugate gradient method

NASA Technical Reports Server (NTRS)

Tatebe, Osamu

1993-01-01

A multigrid preconditioned conjugate gradient method (MGCG method), which uses the multigrid method as a preconditioner of the PCG method, is proposed. The multigrid method has inherent high parallelism and improves convergence of long wavelength components, which is important in iterative methods. By using this method as a preconditioner of the PCG method, an efficient method with high parallelism and fast convergence is obtained. First, it is considered a necessary condition of the multigrid preconditioner in order to satisfy requirements of a preconditioner of the PCG method. Next numerical experiments show a behavior of the MGCG method and that the MGCG method is superior to both the ICCG method and the multigrid method in point of fast convergence and high parallelism. This fast convergence is understood in terms of the eigenvalue analysis of the preconditioned matrix. From this observation of the multigrid preconditioner, it is realized that the MGCG method converges in very few iterations and the multigrid preconditioner is a desirable preconditioner of the conjugate gradient method.

Multigrid calculation of three-dimensional turbomachinery flows

NASA Technical Reports Server (NTRS)

Caughey, David A.

1989-01-01

Research was performed in the general area of computational aerodynamics, with particular emphasis on the development of efficient techniques for the solution of the Euler and Navier-Stokes equations for transonic flows through the complex blade passages associated with turbomachines. In particular, multigrid methods were developed, using both explicit and implicit time-stepping schemes as smoothing algorithms. The specific accomplishments of the research have included: (1) the development of an explicit multigrid method to solve the Euler equations for three-dimensional turbomachinery flows based upon the multigrid implementation of Jameson's explicit Runge-Kutta scheme (Jameson 1983); (2) the development of an implicit multigrid scheme for the three-dimensional Euler equations based upon lower-upper factorization; (3) the development of a multigrid scheme using a diagonalized alternating direction implicit (ADI) algorithm; (4) the extension of the diagonalized ADI multigrid method to solve the Euler equations of inviscid flow for three-dimensional turbomachinery flows; and also (5) the extension of the diagonalized ADI multigrid scheme to solve the Reynolds-averaged Navier-Stokes equations for two-dimensional turbomachinery flows.

Application of Nearly Linear Solvers to Electric Power System Computation

NASA Astrophysics Data System (ADS)

Grant, Lisa L.

To meet the future needs of the electric power system, improvements need to be made in the areas of power system algorithms, simulation, and modeling, specifically to achieve a time frame that is useful to industry. If power system time-domain simulations could run in real-time, then system operators would have situational awareness to implement online control and avoid cascading failures, significantly improving power system reliability. Several power system applications rely on the solution of a very large linear system. As the demands on power systems continue to grow, there is a greater computational complexity involved in solving these large linear systems within reasonable time. This project expands on the current work in fast linear solvers, developed for solving symmetric and diagonally dominant linear systems, in order to produce power system specific methods that can be solved in nearly-linear run times. The work explores a new theoretical method that is based on ideas in graph theory and combinatorics. The technique builds a chain of progressively smaller approximate systems with preconditioners based on the system's low stretch spanning tree. The method is compared to traditional linear solvers and shown to reduce the time and iterations required for an accurate solution, especially as the system size increases. A simulation validation is performed, comparing the solution capabilities of the chain method to LU factorization, which is the standard linear solver for power flow. The chain method was successfully demonstrated to produce accurate solutions for power flow simulation on a number of IEEE test cases, and a discussion on how to further improve the method's speed and accuracy is included.

Black box multigrid

NASA Technical Reports Server (NTRS)

Dendy, J. E., Jr.

1981-01-01

The black box multigrid (BOXMG) code, which only needs specification of the matrix problem for application in the multigrid method was investigated. It is contended that a major problem with the multigrid method is that each new grid configuration requires a major programming effort to develop a code that specifically handles that grid configuration. The SOR and ICCG methods only specify the matrix problem, no matter what the grid configuration. It is concluded that the BOXMG does everything else necessary to set up the auxiliary coarser problems to achieve a multigrid solution.

On several aspects and applications of the multigrid method for solving partial differential equations

NASA Technical Reports Server (NTRS)

Dinar, N.

1978-01-01

Several aspects of multigrid methods are briefly described. The main subjects include the development of very efficient multigrid algorithms for systems of elliptic equations (Cauchy-Riemann, Stokes, Navier-Stokes), as well as the development of control and prediction tools (based on local mode Fourier analysis), used to analyze, check and improve these algorithms. Preliminary research on multigrid algorithms for time dependent parabolic equations is also described. Improvements in existing multigrid processes and algorithms for elliptic equations were studied.

Application of multi-grid methods for solving the Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Demuren, A. O.

1989-01-01

The application of a class of multi-grid methods to the solution of the Navier-Stokes equations for two-dimensional laminar flow problems is discussed. The methods consist of combining the full approximation scheme-full multi-grid technique (FAS-FMG) with point-, line-, or plane-relaxation routines for solving the Navier-Stokes equations in primitive variables. The performance of the multi-grid methods is compared to that of several single-grid methods. The results show that much faster convergence can be procured through the use of the multi-grid approach than through the various suggestions for improving single-grid methods. The importance of the choice of relaxation scheme for the multi-grid method is illustrated.

Application of multi-grid methods for solving the Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Demuren, A. O.

1989-01-01

This paper presents the application of a class of multi-grid methods to the solution of the Navier-Stokes equations for two-dimensional laminar flow problems. The methods consists of combining the full approximation scheme-full multi-grid technique (FAS-FMG) with point-, line- or plane-relaxation routines for solving the Navier-Stokes equations in primitive variables. The performance of the multi-grid methods is compared to those of several single-grid methods. The results show that much faster convergence can be procured through the use of the multi-grid approach than through the various suggestions for improving single-grid methods. The importance of the choice of relaxation scheme for the multi-grid method is illustrated.

Large-scale Parallel Unstructured Mesh Computations for 3D High-lift Analysis

NASA Technical Reports Server (NTRS)

Mavriplis, Dimitri J.; Pirzadeh, S.

1999-01-01

A complete "geometry to drag-polar" analysis capability for the three-dimensional high-lift configurations is described. The approach is based on the use of unstructured meshes in order to enable rapid turnaround for complicated geometries that arise in high-lift configurations. Special attention is devoted to creating a capability for enabling analyses on highly resolved grids. Unstructured meshes of several million vertices are initially generated on a work-station, and subsequently refined on a supercomputer. The flow is solved on these refined meshes on large parallel computers using an unstructured agglomeration multigrid algorithm. Good prediction of lift and drag throughout the range of incidences is demonstrated on a transport take-off configuration using up to 24.7 million grid points. The feasibility of using this approach in a production environment on existing parallel machines is demonstrated, as well as the scalability of the solver on machines using up to 1450 processors.

Computer simulations of phase field drops on super-hydrophobic surfaces

NASA Astrophysics Data System (ADS)

Fedeli, Livio

2017-09-01

We present a novel quasi-Newton continuation procedure that efficiently solves the system of nonlinear equations arising from the discretization of a phase field model for wetting phenomena. We perform a comparative numerical analysis that shows the improved speed of convergence gained with respect to other numerical schemes. Moreover, we discuss the conditions that, on a theoretical level, guarantee the convergence of this method. At each iterative step, a suitable continuation procedure develops and passes to the nonlinear solver an accurate initial guess. Discretization performs through cell-centered finite differences. The resulting system of equations is solved on a composite grid that uses dynamic mesh refinement and multi-grid techniques. The final code achieves three-dimensional, realistic computer experiments comparable to those produced in laboratory settings. This code offers not only new insights into the phenomenology of super-hydrophobicity, but also serves as a reliable predictive tool for the study of hydrophobic surfaces.

Multilevel Monte Carlo for two phase flow and Buckley–Leverett transport in random heterogeneous porous media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Müller, Florian, E-mail: florian.mueller@sam.math.ethz.ch; Jenny, Patrick, E-mail: jenny@ifd.mavt.ethz.ch; Meyer, Daniel W., E-mail: meyerda@ethz.ch

2013-10-01

Monte Carlo (MC) is a well known method for quantifying uncertainty arising for example in subsurface flow problems. Although robust and easy to implement, MC suffers from slow convergence. Extending MC by means of multigrid techniques yields the multilevel Monte Carlo (MLMC) method. MLMC has proven to greatly accelerate MC for several applications including stochastic ordinary differential equations in finance, elliptic stochastic partial differential equations and also hyperbolic problems. In this study, MLMC is combined with a streamline-based solver to assess uncertain two phase flow and Buckley–Leverett transport in random heterogeneous porous media. The performance of MLMC is compared tomore » MC for a two dimensional reservoir with a multi-point Gaussian logarithmic permeability field. The influence of the variance and the correlation length of the logarithmic permeability on the MLMC performance is studied.« less

Progress on the Development of the hPIC Particle-in-Cell Code

NASA Astrophysics Data System (ADS)

Dart, Cameron; Hayes, Alyssa; Khaziev, Rinat; Marcinko, Stephen; Curreli, Davide; Laboratory of Computational Plasma Physics Team

2017-10-01

Advancements were made in the development of the kinetic-kinetic electrostatic Particle-in-Cell code, hPIC, designed for large-scale simulation of the Plasma-Material Interface. hPIC achieved a weak scaling efficiency of 87% using the Algebraic Multigrid Solver BoomerAMG from the PETSc library on more than 64,000 cores of the Blue Waters supercomputer at the University of Illinois at Urbana-Champaign. The code successfully simulates two-stream instability and a volume of plasma over several square centimeters of surface extending out to the presheath in kinetic-kinetic mode. Results from a parametric study of the plasma sheath in strongly magnetized conditions will be presented, as well as a detailed analysis of the plasma sheath structure at grazing magnetic angles. The distribution function and its moments will be reported for plasma species in the simulation domain and at the material surface for plasma sheath simulations. Membership Pending.

Sensitivity derivatives for advanced CFD algorithm and viscous modelling parameters via automatic differentiation

NASA Technical Reports Server (NTRS)

Green, Lawrence L.; Newman, Perry A.; Haigler, Kara J.

1993-01-01

The computational technique of automatic differentiation (AD) is applied to a three-dimensional thin-layer Navier-Stokes multigrid flow solver to assess the feasibility and computational impact of obtaining exact sensitivity derivatives typical of those needed for sensitivity analyses. Calculations are performed for an ONERA M6 wing in transonic flow with both the Baldwin-Lomax and Johnson-King turbulence models. The wing lift, drag, and pitching moment coefficients are differentiated with respect to two different groups of input parameters. The first group consists of the second- and fourth-order damping coefficients of the computational algorithm, whereas the second group consists of two parameters in the viscous turbulent flow physics modelling. Results obtained via AD are compared, for both accuracy and computational efficiency with the results obtained with divided differences (DD). The AD results are accurate, extremely simple to obtain, and show significant computational advantage over those obtained by DD for some cases.

Navier-Stokes turbine heat transfer predictions using two-equation turbulence closures

NASA Technical Reports Server (NTRS)

Ameri, Ali A.; Arnone, Andrea

1992-01-01

Navier-Stokes calculations were carried out in order to predict the heat-transfer rates on turbine blades. The calculations were performed using TRAF2D which is a k-epsilon, explicit, finite volume mass-averaged Navier-Stokes solver. Turbulence was modeled using Coakley's q-omega and Chien's k-epsilon two-equation models and the Baldwin-Lomax algebraic model. The model equations along with the flow equations were solved explicitly on a nonperiodic C grid. Implicit residual smoothing (IRS) or a combination of multigrid technique and IRS was applied to enhance convergence rates. Calculations were performed to predict the Stanton number distributions on the first stage vane and blade row as well as the second stage vane row of the SSME high-pressure fuel turbine. The comparison serves to highlight the weaknesses of the turbulence models for use in turbomachinery heat-transfer calculations.

Textbook Multigrid Efficiency for Computational Fluid Dynamics Simulations

NASA Technical Reports Server (NTRS)

Brandt, Achi; Thomas, James L.; Diskin, Boris

2001-01-01

Considerable progress over the past thirty years has been made in the development of large-scale computational fluid dynamics (CFD) solvers for the Euler and Navier-Stokes equations. Computations are used routinely to design the cruise shapes of transport aircraft through complex-geometry simulations involving the solution of 25-100 million equations; in this arena the number of wind-tunnel tests for a new design has been substantially reduced. However, simulations of the entire flight envelope of the vehicle, including maximum lift, buffet onset, flutter, and control effectiveness have not been as successful in eliminating the reliance on wind-tunnel testing. These simulations involve unsteady flows with more separation and stronger shock waves than at cruise. The main reasons limiting further inroads of CFD into the design process are: (1) the reliability of turbulence models; and (2) the time and expense of the numerical simulation. Because of the prohibitive resolution requirements of direct simulations at high Reynolds numbers, transition and turbulence modeling is expected to remain an issue for the near term. The focus of this paper addresses the latter problem by attempting to attain optimal efficiencies in solving the governing equations. Typically current CFD codes based on the use of multigrid acceleration techniques and multistage Runge-Kutta time-stepping schemes are able to converge lift and drag values for cruise configurations within approximately 1000 residual evaluations. An optimally convergent method is defined as having textbook multigrid efficiency (TME), meaning the solutions to the governing system of equations are attained in a computational work which is a small (less than 10) multiple of the operation count in the discretized system of equations (residual equations). In this paper, a distributed relaxation approach to achieving TME for Reynolds-averaged Navier-Stokes (RNAS) equations are discussed along with the foundations that form the basis of this approach. Because the governing equations are a set of coupled nonlinear conservation equations with discontinuities (shocks, slip lines, etc.) and singularities (flow- or grid-induced), the difficulties are many. This paper summarizes recent progress towards the attainment of TME in basic CFD simulations.

Linear solver performance in elastoplastic problem solution on GPU cluster

NASA Astrophysics Data System (ADS)

Khalevitsky, Yu. V.; Konovalov, A. V.; Burmasheva, N. V.; Partin, A. S.

2017-12-01

Applying the finite element method to severe plastic deformation problems involves solving linear equation systems. While the solution procedure is relatively hard to parallelize and computationally intensive by itself, a long series of large scale systems need to be solved for each problem. When dealing with fine computational meshes, such as in the simulations of three-dimensional metal matrix composite microvolume deformation, tens and hundreds of hours may be needed to complete the whole solution procedure, even using modern supercomputers. In general, one of the preconditioned Krylov subspace methods is used in a linear solver for such problems. The method convergence highly depends on the operator spectrum of a problem stiffness matrix. In order to choose the appropriate method, a series of computational experiments is used. Different methods may be preferable for different computational systems for the same problem. In this paper we present experimental data obtained by solving linear equation systems from an elastoplastic problem on a GPU cluster. The data can be used to substantiate the choice of the appropriate method for a linear solver to use in severe plastic deformation simulations.

Upscaling of Mixed Finite Element Discretization Problems by the Spectral AMGe Method

DOE PAGES

Kalchev, Delyan Z.; Lee, C. S.; Villa, U.; ...

2016-09-22

Here, we propose two multilevel spectral techniques for constructing coarse discretization spaces for saddle-point problems corresponding to PDEs involving a divergence constraint, with a focus on mixed finite element discretizations of scalar self-adjoint second order elliptic equations on general unstructured grids. We use element agglomeration algebraic multigrid (AMGe), which employs coarse elements that can have nonstandard shape since they are agglomerates of fine-grid elements. The coarse basis associated with each agglomerated coarse element is constructed by solving local eigenvalue problems and local mixed finite element problems. This construction leads to stable upscaled coarse spaces and guarantees the inf-sup compatibility ofmore » the upscaled discretization. Also, the approximation properties of these upscaled spaces improve by adding more local eigenfunctions to the coarse spaces. The higher accuracy comes at the cost of additional computational effort, as the sparsity of the resulting upscaled coarse discretization (referred to as operator complexity) deteriorates when we introduce additional functions in the coarse space. We also provide an efficient solver for the coarse (upscaled) saddle-point system by employing hybridization, which leads to a symmetric positive definite (s.p.d.) reduced system for the Lagrange multipliers, and to solve the latter s.p.d. system, we use our previously developed spectral AMGe solver. Numerical experiments, in both two and three dimensions, are provided to illustrate the efficiency of the proposed upscaling technique.« less

Upscaling of Mixed Finite Element Discretization Problems by the Spectral AMGe Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kalchev, Delyan Z.; Lee, C. S.; Villa, U.

Here, we propose two multilevel spectral techniques for constructing coarse discretization spaces for saddle-point problems corresponding to PDEs involving a divergence constraint, with a focus on mixed finite element discretizations of scalar self-adjoint second order elliptic equations on general unstructured grids. We use element agglomeration algebraic multigrid (AMGe), which employs coarse elements that can have nonstandard shape since they are agglomerates of fine-grid elements. The coarse basis associated with each agglomerated coarse element is constructed by solving local eigenvalue problems and local mixed finite element problems. This construction leads to stable upscaled coarse spaces and guarantees the inf-sup compatibility ofmore » the upscaled discretization. Also, the approximation properties of these upscaled spaces improve by adding more local eigenfunctions to the coarse spaces. The higher accuracy comes at the cost of additional computational effort, as the sparsity of the resulting upscaled coarse discretization (referred to as operator complexity) deteriorates when we introduce additional functions in the coarse space. We also provide an efficient solver for the coarse (upscaled) saddle-point system by employing hybridization, which leads to a symmetric positive definite (s.p.d.) reduced system for the Lagrange multipliers, and to solve the latter s.p.d. system, we use our previously developed spectral AMGe solver. Numerical experiments, in both two and three dimensions, are provided to illustrate the efficiency of the proposed upscaling technique.« less

NASA Tech Briefs, November 2005

NASA Technical Reports Server (NTRS)

2005-01-01

Topics covered include: Laser System for Precise, Unambiguous Range Measurements; Flexible Cryogenic Temperature and Liquid-Level Probes; Precision Cryogenic Dilatometer; Stroboscopic Interferometer for Measuring Mirror Vibrations; Some Improvements in H-PDLCs; Multiple-Bit Differential Detection of OQPSK; Absolute Position Encoders With Vertical Image Binning; Flexible, Carbon-Based Ohmic Contacts for Organic Transistors; GaAs QWIP Array Containing More Than a Million Pixels; AutoChem; Virtual Machine Language; Two-Dimensional Ffowcs Williams/Hawkings Equation Solver; Full Multigrid Flow Solver; Doclet To Synthesize UML; Computing Thermal Effects of Cavitation in Cryogenic Liquids; GUI for Computational Simulation of a Propellant Mixer; Control Program for an Optical-Calibration Robot; SQL-RAMS; Distributing Data from Desktop to Hand-Held Computers; Best-Fit Conic Approximation of Spacecraft Trajectory; Improved Charge-Transfer Fluorescent Dyes; Stability-Augmentation Devices for Miniature Aircraft; Tool Measures Depths of Defects on a Case Tang Joint; Two Heat-Transfer Improvements for Gas Liquefiers; Controlling Force and Depth in Friction Stir Welding; Spill-Resistant Alkali-Metal-Vapor Dispenser; A Methodology for Quantifying Certain Design Requirements During the Design Phase; Measuring Two Key Parameters of H3 Color Centers in Diamond; Improved Compression of Wavelet-Transformed Images; NASA Interactive Forms Type Interface - NIFTI; Predicting Numbers of Problems in Development of Software; Hot-Electron Photon Counters for Detecting Terahertz Photons; Magnetic Variations Associated With Solar Flares; and Artificial Intelligence for Controlling Robotic Aircraft.

An Initial Investigation of the Effects of Turbulence Models on the Convergence of the RK/Implicit Scheme

NASA Technical Reports Server (NTRS)

Swanson, R. C.; Rossow, C.-C.

2008-01-01

A three-stage Runge-Kutta (RK) scheme with multigrid and an implicit preconditioner has been shown to be an effective solver for the fluid dynamic equations. This scheme has been applied to both the compressible and essentially incompressible Reynolds-averaged Navier-Stokes (RANS) equations using the algebraic turbulence model of Baldwin and Lomax (BL). In this paper we focus on the convergence of the RK/implicit scheme when the effects of turbulence are represented by either the Spalart-Allmaras model or the Wilcox k-! model, which are frequently used models in practical fluid dynamic applications. Convergence behavior of the scheme with these turbulence models and the BL model are directly compared. For this initial investigation we solve the flow equations and the partial differential equations of the turbulence models indirectly coupled. With this approach we examine the convergence behavior of each system. Both point and line symmetric Gauss-Seidel are considered for approximating the inverse of the implicit operator of the flow solver. To solve the turbulence equations we use a diagonally dominant alternating direction implicit (DDADI) scheme. Computational results are presented for three airfoil flow cases and comparisons are made with experimental data. We demonstrate that the two-dimensional RANS equations and transport-type equations for turbulence modeling can be efficiently solved with an indirectly coupled algorithm that uses the RK/implicit scheme for the flow equations.

LEOPARD: A grid-based dispersion relation solver for arbitrary gyrotropic distributions

NASA Astrophysics Data System (ADS)

Astfalk, Patrick; Jenko, Frank

2017-01-01

Particle velocity distributions measured in collisionless space plasmas often show strong deviations from idealized model distributions. Despite this observational evidence, linear wave analysis in space plasma environments such as the solar wind or Earth's magnetosphere is still mainly carried out using dispersion relation solvers based on Maxwellians or other parametric models. To enable a more realistic analysis, we present the new grid-based kinetic dispersion relation solver LEOPARD (Linear Electromagnetic Oscillations in Plasmas with Arbitrary Rotationally-symmetric Distributions) which no longer requires prescribed model distributions but allows for arbitrary gyrotropic distribution functions. In this work, we discuss the underlying numerical scheme of the code and we show a few exemplary benchmarks. Furthermore, we demonstrate a first application of LEOPARD to ion distribution data obtained from hybrid simulations. In particular, we show that in the saturation stage of the parallel fire hose instability, the deformation of the initial bi-Maxwellian distribution invalidates the use of standard dispersion relation solvers. A linear solver based on bi-Maxwellians predicts further growth even after saturation, while LEOPARD correctly indicates vanishing growth rates. We also discuss how this complies with former studies on the validity of quasilinear theory for the resonant fire hose. In the end, we briefly comment on the role of LEOPARD in directly analyzing spacecraft data, and we refer to an upcoming paper which demonstrates a first application of that kind.

Mixed-Integer Conic Linear Programming: Challenges and Perspectives

DTIC Science & Technology

2013-10-01

The novel DCCs for MISOCO may be used in branch- and-cut algorithms when solving MISOCO problems. The experimental software CICLO was developed to...perform limited, but rigorous computational experiments. The CICLO solver utilizes continuous SOCO solvers, MOSEK, CPLES or SeDuMi, builds on the open...submitted Fall 2013. Software: 1. CICLO : Integer conic linear optimization package. Authors: J.C. Góez, T.K. Ralphs, Y. Fu, and T. Terlaky

Toward textbook multigrid efficiency for fully implicit resistive magnetohydrodynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adams, Mark F.; Samtaney, Ravi, E-mail: samtaney@pppl.go; Brandt, Achi

2010-09-01

Multigrid methods can solve some classes of elliptic and parabolic equations to accuracy below the truncation error with a work-cost equivalent to a few residual calculations - so-called 'textbook' multigrid efficiency. We investigate methods to solve the system of equations that arise in time dependent magnetohydrodynamics (MHD) simulations with textbook multigrid efficiency. We apply multigrid techniques such as geometric interpolation, full approximate storage, Gauss-Seidel smoothers, and defect correction for fully implicit, nonlinear, second-order finite volume discretizations of MHD. We apply these methods to a standard resistive MHD benchmark problem, the GEM reconnection problem, and add a strong magnetic guide field,more » which is a critical characteristic of magnetically confined fusion plasmas. We show that our multigrid methods can achieve near textbook efficiency on fully implicit resistive MHD simulations.« less

Toward textbook multigrid efficiency for fully implicit resistive magnetohydrodynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adams, Mark F.; Samtaney, Ravi; Brandt, Achi

2010-09-01

Multigrid methods can solve some classes of elliptic and parabolic equations to accuracy below the truncation error with a work-cost equivalent to a few residual calculations – so-called ‘‘textbook” multigrid efficiency. We investigate methods to solve the system of equations that arise in time dependent magnetohydrodynamics (MHD) simulations with textbook multigrid efficiency. We apply multigrid techniques such as geometric interpolation, full approximate storage, Gauss–Seidel smoothers, and defect correction for fully implicit, nonlinear, second-order finite volume discretizations of MHD. We apply these methods to a standard resistive MHD benchmark problem, the GEM reconnection problem, and add a strong magnetic guide field,more » which is a critical characteristic of magnetically confined fusion plasmas. We show that our multigrid methods can achieve near textbook efficiency on fully implicit resistive MHD simulations.« less

Toward textbook multigrid efficiency for fully implicit resistive magnetohydrodynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adams, Mark F.; Samtaney, Ravi; Brandt, Achi

2013-12-14

Multigrid methods can solve some classes of elliptic and parabolic equations to accuracy below the truncation error with a work-cost equivalent to a few residual calculations – so-called “textbook” multigrid efficiency. We investigate methods to solve the system of equations that arise in time dependent magnetohydrodynamics (MHD) simulations with textbook multigrid efficiency. We apply multigrid techniques such as geometric interpolation, full approximate storage, Gauss-Seidel smoothers, and defect correction for fully implicit, nonlinear, second-order finite volume discretizations of MHD. We apply these methods to a standard resistive MHD benchmark problem, the GEM reconnection problem, and add a strong magnetic guide field,more » which is a critical characteristic of magnetically confined fusion plasmas. We show that our multigrid methods can achieve near textbook efficiency on fully implicit resistive MHD simulations.« less

Formulation of boundary conditions for the multigrid acceleration of the Euler and Navier Stokes equations

NASA Technical Reports Server (NTRS)

Jentink, Thomas Neil; Usab, William J., Jr.

1990-01-01

An explicit, Multigrid algorithm was written to solve the Euler and Navier-Stokes equations with special consideration given to the coarse mesh boundary conditions. These are formulated in a manner consistent with the interior solution, utilizing forcing terms to prevent coarse-mesh truncation error from affecting the fine-mesh solution. A 4-Stage Hybrid Runge-Kutta Scheme is used to advance the solution in time, and Multigrid convergence is further enhanced by using local time-stepping and implicit residual smoothing. Details of the algorithm are presented along with a description of Jameson's standard Multigrid method and a new approach to formulating the Multigrid equations.

Introduction to multigrid methods

NASA Technical Reports Server (NTRS)

Wesseling, P.

1995-01-01

These notes were written for an introductory course on the application of multigrid methods to elliptic and hyperbolic partial differential equations for engineers, physicists and applied mathematicians. The use of more advanced mathematical tools, such as functional analysis, is avoided. The course is intended to be accessible to a wide audience of users of computational methods. We restrict ourselves to finite volume and finite difference discretization. The basic principles are given. Smoothing methods and Fourier smoothing analysis are reviewed. The fundamental multigrid algorithm is studied. The smoothing and coarse grid approximation properties are discussed. Multigrid schedules and structured programming of multigrid algorithms are treated. Robustness and efficiency are considered.

A Critical Study of Agglomerated Multigrid Methods for Diffusion

NASA Technical Reports Server (NTRS)

Nishikawa, Hiroaki; Diskin, Boris; Thomas, James L.

2011-01-01

Agglomerated multigrid techniques used in unstructured-grid methods are studied critically for a model problem representative of laminar diffusion in the incompressible limit. The studied target-grid discretizations and discretizations used on agglomerated grids are typical of current node-centered formulations. Agglomerated multigrid convergence rates are presented using a range of two- and three-dimensional randomly perturbed unstructured grids for simple geometries with isotropic and stretched grids. Two agglomeration techniques are used within an overall topology-preserving agglomeration framework. The results show that multigrid with an inconsistent coarse-grid scheme using only the edge terms (also referred to in the literature as a thin-layer formulation) provides considerable speedup over single-grid methods but its convergence deteriorates on finer grids. Multigrid with a Galerkin coarse-grid discretization using piecewise-constant prolongation and a heuristic correction factor is slower and also grid-dependent. In contrast, grid-independent convergence rates are demonstrated for multigrid with consistent coarse-grid discretizations. Convergence rates of multigrid cycles are verified with quantitative analysis methods in which parts of the two-grid cycle are replaced by their idealized counterparts.

Code Samples Used for Complexity and Control

NASA Astrophysics Data System (ADS)

Ivancevic, Vladimir G.; Reid, Darryn J.

2015-11-01

The following sections are included: * MathematicaⓇ Code * Generic Chaotic Simulator * Vector Differential Operators * NLS Explorer * 2C++ Code * C++ Lambda Functions for Real Calculus * Accelerometer Data Processor * Simple Predictor-Corrector Integrator * Solving the BVP with the Shooting Method * Linear Hyperbolic PDE Solver * Linear Elliptic PDE Solver * Method of Lines for a Set of the NLS Equations * C# Code * Iterative Equation Solver * Simulated Annealing: A Function Minimum * Simple Nonlinear Dynamics * Nonlinear Pendulum Simulator * Lagrangian Dynamics Simulator * Complex-Valued Crowd Attractor Dynamics * Freeform Fortran Code * Lorenz Attractor Simulator * Complex Lorenz Attractor * Simple SGE Soliton * Complex Signal Presentation * Gaussian Wave Packet * Hermitian Matrices * Euclidean L2-Norm * Vector/Matrix Operations * Plain C-Code: Levenberg-Marquardt Optimizer * Free Basic Code: 2D Crowd Dynamics with 3000 Agents

Implementing a Matrix-free Analytical Jacobian to Handle Nonlinearities in Models of 3D Lithospheric Deformation

NASA Astrophysics Data System (ADS)

Kaus, B.; Popov, A.

2015-12-01

The analytical expression for the Jacobian is a key component to achieve fast and robust convergence of the nonlinear Newton-Raphson iterative solver. Accomplishing this task in practice often requires a significant algebraic effort. Therefore it is quite common to use a cheap alternative instead, for example by approximating the Jacobian with a finite difference estimation. Despite its simplicity it is a relatively fragile and unreliable technique that is sensitive to the scaling of the residual and unknowns, as well as to the perturbation parameter selection. Unfortunately no universal rule can be applied to provide both a robust scaling and a perturbation. The approach we use here is to derive the analytical Jacobian for the coupled set of momentum, mass, and energy conservation equations together with the elasto-visco-plastic rheology and a marker in cell/staggered finite difference method. The software project LaMEM (Lithosphere and Mantle Evolution Model) is primarily developed for the thermo-mechanically coupled modeling of the 3D lithospheric deformation. The code is based on a staggered grid finite difference discretization in space, and uses customized scalable solvers form PETSc library to efficiently run on the massively parallel machines (such as IBM Blue Gene/Q). Currently LaMEM relies on the Jacobian-Free Newton-Krylov (JFNK) nonlinear solver, which approximates the Jacobian-vector product using a simple finite difference formula. This approach never requires an assembled Jacobian matrix and uses only the residual computation routine. We use an approximate Jacobian (Picard) matrix to precondition the Krylov solver with the Galerkin geometric multigrid. Because of the inherent problems of the finite difference Jacobian estimation, this approach doesn't always result in stable convergence. In this work we present and discuss a matrix-free technique in which the Jacobian-vector product is replaced by analytically-derived expressions and compare results with those obtained with a finite difference approximation of the Jacobian. This project is funded by ERC Starting Grant 258830 and computer facilities were provided by Jülich supercomputer center (Germany).

Unstructured Mesh Methods for the Simulation of Hypersonic Flows

NASA Technical Reports Server (NTRS)

Peraire, Jaime; Bibb, K. L. (Technical Monitor)

2001-01-01

This report describes the research work undertaken at the Massachusetts Institute of Technology. The aim of this research is to identify effective algorithms and methodologies for the efficient and routine solution of hypersonic viscous flows about re-entry vehicles. For over ten years we have received support from NASA to develop unstructured mesh methods for Computational Fluid Dynamics. As a result of this effort a methodology based on the use, of unstructured adapted meshes of tetrahedra and finite volume flow solvers has been developed. A number of gridding algorithms flow solvers, and adaptive strategies have been proposed. The most successful algorithms developed from the basis of the unstructured mesh system FELISA. The FELISA system has been extensively for the analysis of transonic and hypersonic flows about complete vehicle configurations. The system is highly automatic and allows for the routine aerodynamic analysis of complex configurations starting from CAD data. The code has been parallelized and utilizes efficient solution algorithms. For hypersonic flows, a version of the, code which incorporates real gas effects, has been produced. One of the latest developments before the start of this grant was to extend the system to include viscous effects. This required the development of viscous generators, capable of generating the anisotropic grids required to represent boundary layers, and viscous flow solvers. In figures I and 2, we show some sample hypersonic viscous computations using the developed viscous generators and solvers. Although these initial results were encouraging, it became apparent that in order to develop a fully functional capability for viscous flows, several advances in gridding, solution accuracy, robustness and efficiency were required. As part of this research we have developed: 1) automatic meshing techniques and the corresponding computer codes have been delivered to NASA and implemented into the GridEx system, 2) a finite element algorithm for the solution of the viscous compressible flow equations which can solve flows all the way down to the incompressible limit and that can use higher order (quadratic) approximations leading to highly accurate answers, and 3) and iterative algebraic multigrid solution techniques.

Multigrid schemes for viscous hypersonic flows

NASA Technical Reports Server (NTRS)

Swanson, R. C.; Radespiel, R.

1993-01-01

Several multigrid schemes are considered for the numerical computation of viscous hypersonic flows. For each scheme, the basic solution algorithm employs upwind spatial discretization with explicit multistage time stepping. Two-level versions of the various multigrid algorithms are applied to the two-dimensional advection equation, and Fourier analysis is used to determine their damping properties. The capabilities of the multigrid methods are assessed by solving two different hypersonic flow problems. Some new multigrid schemes, based on semicoarsening strategies, are shown to be quite effective in relieving the stiffness caused by the high-aspect-ratio cells required to resolve high Reynolds number flows. These schemes exhibit good convergence rates for Reynolds numbers up to 200 x 10(exp 6).

Convergence acceleration of the Proteus computer code with multigrid methods

NASA Technical Reports Server (NTRS)

Demuren, A. O.; Ibraheem, S. O.

1995-01-01

This report presents the results of a study to implement convergence acceleration techniques based on the multigrid concept in the two-dimensional and three-dimensional versions of the Proteus computer code. The first section presents a review of the relevant literature on the implementation of the multigrid methods in computer codes for compressible flow analysis. The next two sections present detailed stability analysis of numerical schemes for solving the Euler and Navier-Stokes equations, based on conventional von Neumann analysis and the bi-grid analysis, respectively. The next section presents details of the computational method used in the Proteus computer code. Finally, the multigrid implementation and applications to several two-dimensional and three-dimensional test problems are presented. The results of the present study show that the multigrid method always leads to a reduction in the number of iterations (or time steps) required for convergence. However, there is an overhead associated with the use of multigrid acceleration. The overhead is higher in 2-D problems than in 3-D problems, thus overall multigrid savings in CPU time are in general better in the latter. Savings of about 40-50 percent are typical in 3-D problems, but they are about 20-30 percent in large 2-D problems. The present multigrid method is applicable to steady-state problems and is therefore ineffective in problems with inherently unstable solutions.

A high-order semi-explicit discontinuous Galerkin solver for 3D incompressible flow with application to DNS and LES of turbulent channel flow

NASA Astrophysics Data System (ADS)

Krank, Benjamin; Fehn, Niklas; Wall, Wolfgang A.; Kronbichler, Martin

2017-11-01

We present an efficient discontinuous Galerkin scheme for simulation of the incompressible Navier-Stokes equations including laminar and turbulent flow. We consider a semi-explicit high-order velocity-correction method for time integration as well as nodal equal-order discretizations for velocity and pressure. The non-linear convective term is treated explicitly while a linear system is solved for the pressure Poisson equation and the viscous term. The key feature of our solver is a consistent penalty term reducing the local divergence error in order to overcome recently reported instabilities in spatially under-resolved high-Reynolds-number flows as well as small time steps. This penalty method is similar to the grad-div stabilization widely used in continuous finite elements. We further review and compare our method to several other techniques recently proposed in literature to stabilize the method for such flow configurations. The solver is specifically designed for large-scale computations through matrix-free linear solvers including efficient preconditioning strategies and tensor-product elements, which have allowed us to scale this code up to 34.4 billion degrees of freedom and 147,456 CPU cores. We validate our code and demonstrate optimal convergence rates with laminar flows present in a vortex problem and flow past a cylinder and show applicability of our solver to direct numerical simulation as well as implicit large-eddy simulation of turbulent channel flow at Reτ = 180 as well as 590.

IGA-ADS: Isogeometric analysis FEM using ADS solver

NASA Astrophysics Data System (ADS)

Łoś, Marcin M.; Woźniak, Maciej; Paszyński, Maciej; Lenharth, Andrew; Hassaan, Muhamm Amber; Pingali, Keshav

2017-08-01

In this paper we present a fast explicit solver for solution of non-stationary problems using L2 projections with isogeometric finite element method. The solver has been implemented within GALOIS framework. It enables parallel multi-core simulations of different time-dependent problems, in 1D, 2D, or 3D. We have prepared the solver framework in a way that enables direct implementation of the selected PDE and corresponding boundary conditions. In this paper we describe the installation, implementation of exemplary three PDEs, and execution of the simulations on multi-core Linux cluster nodes. We consider three case studies, including heat transfer, linear elasticity, as well as non-linear flow in heterogeneous media. The presented package generates output suitable for interfacing with Gnuplot and ParaView visualization software. The exemplary simulations show near perfect scalability on Gilbert shared-memory node with four Intel® Xeon® CPU E7-4860 processors, each possessing 10 physical cores (for a total of 40 cores).

A comparison of SuperLU solvers on the intel MIC architecture

NASA Astrophysics Data System (ADS)

Tuncel, Mehmet; Duran, Ahmet; Celebi, M. Serdar; Akaydin, Bora; Topkaya, Figen O.

2016-10-01

In many science and engineering applications, problems may result in solving a sparse linear system AX=B. For example, SuperLU_MCDT, a linear solver, was used for the large penta-diagonal matrices for 2D problems and hepta-diagonal matrices for 3D problems, coming from the incompressible blood flow simulation (see [1]). It is important to test the status and potential improvements of state-of-the-art solvers on new technologies. In this work, sequential, multithreaded and distributed versions of SuperLU solvers (see [2]) are examined on the Intel Xeon Phi coprocessors using offload programming model at the EURORA cluster of CINECA in Italy. We consider a portfolio of test matrices containing patterned matrices from UFMM ([3]) and randomly located matrices. This architecture can benefit from high parallelism and large vectors. We find that the sequential SuperLU benefited up to 45 % performance improvement from the offload programming depending on the sparse matrix type and the size of transferred and processed data.

The solution of linear systems of equations with a structural analysis code on the NAS CRAY-2

NASA Technical Reports Server (NTRS)

Poole, Eugene L.; Overman, Andrea L.

1988-01-01

Two methods for solving linear systems of equations on the NAS Cray-2 are described. One is a direct method; the other is an iterative method. Both methods exploit the architecture of the Cray-2, particularly the vectorization, and are aimed at structural analysis applications. To demonstrate and evaluate the methods, they were installed in a finite element structural analysis code denoted the Computational Structural Mechanics (CSM) Testbed. A description of the techniques used to integrate the two solvers into the Testbed is given. Storage schemes, memory requirements, operation counts, and reformatting procedures are discussed. Finally, results from the new methods are compared with results from the initial Testbed sparse Choleski equation solver for three structural analysis problems. The new direct solvers described achieve the highest computational rates of the methods compared. The new iterative methods are not able to achieve as high computation rates as the vectorized direct solvers but are best for well conditioned problems which require fewer iterations to converge to the solution.

A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments.

PubMed

Fisicaro, G; Genovese, L; Andreussi, O; Marzari, N; Goedecker, S

2016-01-07

The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence, the electrostatic potential has to be found by solving the generalized Poisson and the Poisson-Boltzmann equations for neutral and ionic solutions, respectively. In the present work, solvers for both problems have been developed. A preconditioned conjugate gradient method has been implemented for the solution of the generalized Poisson equation and the linear regime of the Poisson-Boltzmann, allowing to solve iteratively the minimization problem with some ten iterations of the ordinary Poisson equation solver. In addition, a self-consistent procedure enables us to solve the non-linear Poisson-Boltzmann problem. Both solvers exhibit very high accuracy and parallel efficiency and allow for the treatment of periodic, free, and slab boundary conditions. The solver has been integrated into the BigDFT and Quantum-ESPRESSO electronic-structure packages and will be released as an independent program, suitable for integration in other codes.

A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fisicaro, G., E-mail: giuseppe.fisicaro@unibas.ch; Goedecker, S.; Genovese, L.

2016-01-07

The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence, the electrostatic potential has to be found by solving the generalized Poisson and the Poisson-Boltzmann equations for neutral and ionic solutions, respectively. In the present work, solvers for both problems have been developed. A preconditioned conjugate gradient method has been implemented for the solution of the generalized Poisson equation and themore » linear regime of the Poisson-Boltzmann, allowing to solve iteratively the minimization problem with some ten iterations of the ordinary Poisson equation solver. In addition, a self-consistent procedure enables us to solve the non-linear Poisson-Boltzmann problem. Both solvers exhibit very high accuracy and parallel efficiency and allow for the treatment of periodic, free, and slab boundary conditions. The solver has been integrated into the BigDFT and Quantum-ESPRESSO electronic-structure packages and will be released as an independent program, suitable for integration in other codes.« less

BOOK REVIEW: Advanced Topics in Computational Partial Differential Equations: Numerical Methods and Diffpack Programming

NASA Astrophysics Data System (ADS)

Katsaounis, T. D.

2005-02-01

The scope of this book is to present well known simple and advanced numerical methods for solving partial differential equations (PDEs) and how to implement these methods using the programming environment of the software package Diffpack. A basic background in PDEs and numerical methods is required by the potential reader. Further, a basic knowledge of the finite element method and its implementation in one and two space dimensions is required. The authors claim that no prior knowledge of the package Diffpack is required, which is true, but the reader should be at least familiar with an object oriented programming language like C++ in order to better comprehend the programming environment of Diffpack. Certainly, a prior knowledge or usage of Diffpack would be a great advantage to the reader. The book consists of 15 chapters, each one written by one or more authors. Each chapter is basically divided into two parts: the first part is about mathematical models described by PDEs and numerical methods to solve these models and the second part describes how to implement the numerical methods using the programming environment of Diffpack. Each chapter closes with a list of references on its subject. The first nine chapters cover well known numerical methods for solving the basic types of PDEs. Further, programming techniques on the serial as well as on the parallel implementation of numerical methods are also included in these chapters. The last five chapters are dedicated to applications, modelled by PDEs, in a variety of fields. The first chapter is an introduction to parallel processing. It covers fundamentals of parallel processing in a simple and concrete way and no prior knowledge of the subject is required. Examples of parallel implementation of basic linear algebra operations are presented using the Message Passing Interface (MPI) programming environment. Here, some knowledge of MPI routines is required by the reader. Examples solving in parallel simple PDEs using Diffpack and MPI are also presented. Chapter 2 presents the overlapping domain decomposition method for solving PDEs. It is well known that these methods are suitable for parallel processing. The first part of the chapter covers the mathematical formulation of the method as well as algorithmic and implementational issues. The second part presents a serial and a parallel implementational framework within the programming environment of Diffpack. The chapter closes by showing how to solve two application examples with the overlapping domain decomposition method using Diffpack. Chapter 3 is a tutorial about how to incorporate the multigrid solver in Diffpack. The method is illustrated by examples such as a Poisson solver, a general elliptic problem with various types of boundary conditions and a nonlinear Poisson type problem. In chapter 4 the mixed finite element is introduced. Technical issues concerning the practical implementation of the method are also presented. The main difficulties of the efficient implementation of the method, especially in two and three space dimensions on unstructured grids, are presented and addressed in the framework of Diffpack. The implementational process is illustrated by two examples, namely the system formulation of the Poisson problem and the Stokes problem. Chapter 5 is closely related to chapter 4 and addresses the problem of how to solve efficiently the linear systems arising by the application of the mixed finite element method. The proposed method is block preconditioning. Efficient techniques for implementing the method within Diffpack are presented. Optimal block preconditioners are used to solve the system formulation of the Poisson problem, the Stokes problem and the bidomain model for the electrical activity in the heart. The subject of chapter 6 is systems of PDEs. Linear and nonlinear systems are discussed. Fully implicit and operator splitting methods are presented. Special attention is paid to how existing solvers for scalar equations in Diffpack can be used to derive fully implicit solvers for systems. The proposed techniques are illustrated in terms of two applications, namely a system of PDEs modelling pipeflow and a two-phase porous media flow. Stochastic PDEs is the topic of chapter 7. The first part of the chapter is a simple introduction to stochastic PDEs; basic analytical properties are presented for simple models like transport phenomena and viscous drag forces. The second part considers the numerical solution of stochastic PDEs. Two basic techniques are presented, namely Monte Carlo and perturbation methods. The last part explains how to implement and incorporate these solvers into Diffpack. Chapter 8 describes how to operate Diffpack from Python scripts. The main goal here is to provide all the programming and technical details in order to glue the programming environment of Diffpack with visualization packages through Python and in general take advantage of the Python interfaces. Chapter 9 attempts to show how to use numerical experiments to measure the performance of various PDE solvers. The authors gathered a rather impressive list, a total of 14 PDE solvers. Solvers for problems like Poisson, Navier--Stokes, elasticity, two-phase flows and methods such as finite difference, finite element, multigrid, and gradient type methods are presented. The authors provide a series of numerical results combining various solvers with various methods in order to gain insight into their computational performance and efficiency. In Chapter 10 the authors consider a computationally challenging problem, namely the computation of the electrical activity of the human heart. After a brief introduction on the biology of the problem the authors present the mathematical models involved and a numerical method for solving them within the framework of Diffpack. Chapter 11 and 12 are closely related; actually they could have been combined in a single chapter. Chapter 11 introduces several mathematical models used in finance, based on the Black--Scholes equation. Chapter 12 considers several numerical methods like Monte Carlo, lattice methods, finite difference and finite element methods. Implementation of these methods within Diffpack is presented in the last part of the chapter. Chapter 13 presents how the finite element method is used for the modelling and analysis of elastic structures. The authors describe the structural elements of Diffpack which include popular elements such as beams and plates and examples are presented on how to use them to simulate elastic structures. Chapter 14 describes an application problem, namely the extrusion of aluminum. This is a rather\\endcolumn complicated process which involves non-Newtonian flow, heat transfer and elasticity. The authors describe the systems of PDEs modelling the underlying process and use a finite element method to obtain a numerical solution. The implementation of the numerical method in Diffpack is presented along with some applications. The last chapter, chapter 15, focuses on mathematical and numerical models of systems of PDEs governing geological processes in sedimentary basins. The underlying mathematical model is solved using the finite element method within a fully implicit scheme. The authors discuss the implementational issues involved within Diffpack and they present results from several examples. In summary, the book focuses on the computational and implementational issues involved in solving partial differential equations. The potential reader should have a basic knowledge of PDEs and the finite difference and finite element methods. The examples presented are solved within the programming framework of Diffpack and the reader should have prior experience with the particular software in order to take full advantage of the book. Overall the book is well written, the subject of each chapter is well presented and can serve as a reference for graduate students, researchers and engineers who are interested in the numerical solution of partial differential equations modelling various applications.

User's Manual for PCSMS (Parallel Complex Sparse Matrix Solver). Version 1.

NASA Technical Reports Server (NTRS)

Reddy, C. J.

2000-01-01

PCSMS (Parallel Complex Sparse Matrix Solver) is a computer code written to make use of the existing real sparse direct solvers to solve complex, sparse matrix linear equations. PCSMS converts complex matrices into real matrices and use real, sparse direct matrix solvers to factor and solve the real matrices. The solution vector is reconverted to complex numbers. Though, this utility is written for Silicon Graphics (SGI) real sparse matrix solution routines, it is general in nature and can be easily modified to work with any real sparse matrix solver. The User's Manual is written to make the user acquainted with the installation and operation of the code. Driver routines are given to aid the users to integrate PCSMS routines in their own codes.

The MueLu Tutorial

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Jonathan Joseph; Wiesner, Tobias A.; Prokopenko, Andrey

2014-10-01

The MueLu tutorial is written as a hands-on tutorial for MueLu, the next generation multigrid framework in Trilinos. It covers the whole spectrum from absolute beginners’ topics to expert level. Since the focus of this tutorial is on practical and technical aspects of multigrid methods in general and MueLu in particular, the reader is expected to have a basic understanding of multigrid methods and its general underlying concepts. Please refer to multigrid textbooks (e.g. [1]) for the theoretical background.

Application of PDSLin to the magnetic reconnection problem

NASA Astrophysics Data System (ADS)

Yuan, Xuefei; Li, Xiaoye S.; Yamazaki, Ichitaro; Jardin, Stephen C.; Koniges, Alice E.; Keyes, David E.

2013-01-01

Magnetic reconnection is a fundamental process in a magnetized plasma at both low and high magnetic Lundquist numbers (the ratio of the resistive diffusion time to the Alfvén wave transit time), which occurs in a wide variety of laboratory and space plasmas, e.g. magnetic fusion experiments, the solar corona and the Earth's magnetotail. An implicit time advance for the two-fluid magnetic reconnection problem is known to be difficult because of the large condition number of the associated matrix. This is especially troublesome when the collisionless ion skin depth is large so that the Whistler waves, which cause the fast reconnection, dominate the physics (Yuan et al 2012 J. Comput. Phys. 231 5822-53). For small system sizes, a direct solver such as SuperLU can be employed to obtain an accurate solution as long as the condition number is bounded by the reciprocal of the floating-point machine precision. However, SuperLU scales effectively only to hundreds of processors or less. For larger system sizes, it has been shown that physics-based (Chacón and Knoll 2003 J. Comput. Phys. 188 573-92) or other preconditioners can be applied to provide adequate solver performance. In recent years, we have been developing a new algebraic hybrid linear solver, PDSLin (Parallel Domain decomposition Schur complement-based Linear solver) (Yamazaki and Li 2010 Proc. VECPAR pp 421-34 and Yamazaki et al 2011 Technical Report). In this work, we compare numerical results from a direct solver and the proposed hybrid solver for the magnetic reconnection problem and demonstrate that the new hybrid solver is scalable to thousands of processors while maintaining the same robustness as a direct solver.

a Cell Vertex Algorithm for the Incompressible Navier-Stokes Equations on Non-Orthogonal Grids

NASA Astrophysics Data System (ADS)

Jessee, J. P.; Fiveland, W. A.

1996-08-01

The steady, incompressible Navier-Stokes (N-S) equations are discretized using a cell vertex, finite volume method. Quadrilateral and hexahedral meshes are used to represent two- and three-dimensional geometries respectively. The dependent variables include the Cartesian components of velocity and pressure. Advective fluxes are calculated using bounded, high-resolution schemes with a deferred correction procedure to maintain a compact stencil. This treatment insures bounded, non-oscillatory solutions while maintaining low numerical diffusion. The mass and momentum equations are solved with the projection method on a non-staggered grid. The coupling of the pressure and velocity fields is achieved using the Rhie and Chow interpolation scheme modified to provide solutions independent of time steps or relaxation factors. An algebraic multigrid solver is used for the solution of the implicit, linearized equations.A number of test cases are anlaysed and presented. The standard benchmark cases include a lid-driven cavity, flow through a gradual expansion and laminar flow in a three-dimensional curved duct. Predictions are compared with data, results of other workers and with predictions from a structured, cell-centred, control volume algorithm whenever applicable. Sensitivity of results to the advection differencing scheme is investigated by applying a number of higher-order flux limiters: the MINMOD, MUSCL, OSHER, CLAM and SMART schemes. As expected, studies indicate that higher-order schemes largely mitigate the diffusion effects of first-order schemes but also shown no clear preference among the higher-order schemes themselves with respect to accuracy. The effect of the deferred correction procedure on global convergence is discussed.

Preconditioned conjugate gradient wave-front reconstructors for multiconjugate adaptive optics

NASA Astrophysics Data System (ADS)

Gilles, Luc; Ellerbroek, Brent L.; Vogel, Curtis R.

2003-09-01

Multiconjugate adaptive optics (MCAO) systems with 104-105 degrees of freedom have been proposed for future giant telescopes. Using standard matrix methods to compute, optimize, and implement wave-front control algorithms for these systems is impractical, since the number of calculations required to compute and apply the reconstruction matrix scales respectively with the cube and the square of the number of adaptive optics degrees of freedom. We develop scalable open-loop iterative sparse matrix implementations of minimum variance wave-front reconstruction for telescope diameters up to 32 m with more than 104 actuators. The basic approach is the preconditioned conjugate gradient method with an efficient preconditioner, whose block structure is defined by the atmospheric turbulent layers very much like the layer-oriented MCAO algorithms of current interest. Two cost-effective preconditioners are investigated: a multigrid solver and a simpler block symmetric Gauss-Seidel (BSGS) sweep. Both options require off-line sparse Cholesky factorizations of the diagonal blocks of the matrix system. The cost to precompute these factors scales approximately as the three-halves power of the number of estimated phase grid points per atmospheric layer, and their average update rate is typically of the order of 10-2 Hz, i.e., 4-5 orders of magnitude lower than the typical 103 Hz temporal sampling rate. All other computations scale almost linearly with the total number of estimated phase grid points. We present numerical simulation results to illustrate algorithm convergence. Convergence rates of both preconditioners are similar, regardless of measurement noise level, indicating that the layer-oriented BSGS sweep is as effective as the more elaborated multiresolution preconditioner.

Progress with multigrid schemes for hypersonic flow problems

NASA Technical Reports Server (NTRS)

Radespiel, R.; Swanson, R. C.

1991-01-01

Several multigrid schemes are considered for the numerical computation of viscous hypersonic flows. For each scheme, the basic solution algorithm uses upwind spatial discretization with explicit multistage time stepping. Two level versions of the various multigrid algorithms are applied to the two dimensional advection equation, and Fourier analysis is used to determine their damping properties. The capabilities of the multigrid methods are assessed by solving three different hypersonic flow problems. Some new multigrid schemes based on semicoarsening strategies are shown to be quite effective in relieving the stiffness caused by the high aspect ratio cells required to resolve high Reynolds number flows. These schemes exhibit good convergence rates for Reynolds numbers up to 200 x 10(exp 6) and Mach numbers up to 25.

A Numerical Study of Scalable Cardiac Electro-Mechanical Solvers on HPC Architectures

PubMed Central

Colli Franzone, Piero; Pavarino, Luca F.; Scacchi, Simone

2018-01-01

We introduce and study some scalable domain decomposition preconditioners for cardiac electro-mechanical 3D simulations on parallel HPC (High Performance Computing) architectures. The electro-mechanical model of the cardiac tissue is composed of four coupled sub-models: (1) the static finite elasticity equations for the transversely isotropic deformation of the cardiac tissue; (2) the active tension model describing the dynamics of the intracellular calcium, cross-bridge binding and myofilament tension; (3) the anisotropic Bidomain model describing the evolution of the intra- and extra-cellular potentials in the deforming cardiac tissue; and (4) the ionic membrane model describing the dynamics of ionic currents, gating variables, ionic concentrations and stretch-activated channels. This strongly coupled electro-mechanical model is discretized in time with a splitting semi-implicit technique and in space with isoparametric finite elements. The resulting scalable parallel solver is based on Multilevel Additive Schwarz preconditioners for the solution of the Bidomain system and on BDDC preconditioned Newton-Krylov solvers for the non-linear finite elasticity system. The results of several 3D parallel simulations show the scalability of both linear and non-linear solvers and their application to the study of both physiological excitation-contraction cardiac dynamics and re-entrant waves in the presence of different mechano-electrical feedbacks. PMID:29674971

Applications of Space-Filling-Curves to Cartesian Methods for CFD

NASA Technical Reports Server (NTRS)

Aftosmis, Michael J.; Berger, Marsha J.; Murman, Scott M.

2003-01-01

The proposed paper presents a variety novel uses of Space-Filling-Curves (SFCs) for Cartesian mesh methods in 0. While these techniques will be demonstrated using non-body-fitted Cartesian meshes, most are applicable on general body-fitted meshes -both structured and unstructured. We demonstrate the use of single O(N log N) SFC-based reordering to produce single-pass (O(N)) algorithms for mesh partitioning, multigrid coarsening, and inter-mesh interpolation. The intermesh interpolation operator has many practical applications including warm starts on modified geometry, or as an inter-grid transfer operator on remeshed regions in moving-body simulations. Exploiting the compact construction of these operators, we further show that these algorithms are highly amenable to parallelization. Examples using the SFC-based mesh partitioner show nearly linear speedup to 512 CPUs even when using multigrid as a smoother. Partition statistics are presented showing that the SFC partitions are, on-average, within 10% of ideal even with only around 50,000 cells in each subdomain. The inter-mesh interpolation operator also has linear asymptotic complexity and can be used to map a solution with N unknowns to another mesh with M unknowns with O(max(M,N)) operations. This capability is demonstrated both on moving-body simulations and in mapping solutions to perturbed meshes for finite-difference-based gradient design methods.

Electrical Resistivity Tomography using a finite element based BFGS algorithm with algebraic multigrid preconditioning

NASA Astrophysics Data System (ADS)

Codd, A. L.; Gross, L.

2018-03-01

We present a new inversion method for Electrical Resistivity Tomography which, in contrast to established approaches, minimizes the cost function prior to finite element discretization for the unknown electric conductivity and electric potential. Minimization is performed with the Broyden-Fletcher-Goldfarb-Shanno method (BFGS) in an appropriate function space. BFGS is self-preconditioning and avoids construction of the dense Hessian which is the major obstacle to solving large 3-D problems using parallel computers. In addition to the forward problem predicting the measurement from the injected current, the so-called adjoint problem also needs to be solved. For this problem a virtual current is injected through the measurement electrodes and an adjoint electric potential is obtained. The magnitude of the injected virtual current is equal to the misfit at the measurement electrodes. This new approach has the advantage that the solution process of the optimization problem remains independent to the meshes used for discretization and allows for mesh adaptation during inversion. Computation time is reduced by using superposition of pole loads for the forward and adjoint problems. A smoothed aggregation algebraic multigrid (AMG) preconditioned conjugate gradient is applied to construct the potentials for a given electric conductivity estimate and for constructing a first level BFGS preconditioner. Through the additional reuse of AMG operators and coarse grid solvers inversion time for large 3-D problems can be reduced further. We apply our new inversion method to synthetic survey data created by the resistivity profile representing the characteristics of subsurface fluid injection. We further test it on data obtained from a 2-D surface electrode survey on Heron Island, a small tropical island off the east coast of central Queensland, Australia.

Evaluation of out-of-core computer programs for the solution of symmetric banded linear equations. [simultaneous equations

NASA Technical Reports Server (NTRS)

Dunham, R. S.

1976-01-01

FORTRAN coded out-of-core equation solvers that solve using direct methods symmetric banded systems of simultaneous algebraic equations. Banded, frontal and column (skyline) solvers were studied as well as solvers that can partition the working area and thus could fit into any available core. Comparison timings are presented for several typical two dimensional and three dimensional continuum type grids of elements with and without midside nodes. Extensive conclusions are also given.

Annual Copper Mountain Conferences on Multigrid and Iterative Methods, Copper Mountain, Colorado

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCormick, Stephen F.

This project supported the Copper Mountain Conference on Multigrid and Iterative Methods, held from 2007 to 2015, at Copper Mountain, Colorado. The subject of the Copper Mountain Conference Series alternated between Multigrid Methods in odd-numbered years and Iterative Methods in even-numbered years. Begun in 1983, the Series represents an important forum for the exchange of ideas in these two closely related fields. This report describes the Copper Mountain Conference on Multigrid and Iterative Methods, 2007-2015. Information on the conference series is available at http://grandmaster.colorado.edu/~copper/.

Emulsion droplet interactions: a front-tracking treatment

NASA Astrophysics Data System (ADS)

Mason, Lachlan; Juric, Damir; Chergui, Jalel; Shin, Seungwon; Craster, Richard V.; Matar, Omar K.

2017-11-01

Emulsion coalescence influences a multitude of industrial applications including solvent extraction, oil recovery and the manufacture of fast-moving consumer goods. Droplet interaction models are vital for the design and scale-up of processing systems, however predictive modelling at the droplet-scale remains a research challenge. This study simulates industrially relevant moderate-inertia collisions for which a high degree of droplet deformation occurs. A hybrid front-tracking/level-set approach is used to automatically account for interface merging without the need for `bookkeeping' of interface connectivity. The model is implemented in Code BLUE using a parallel multi-grid solver, allowing both film and droplet-scale dynamics to be resolved efficiently. Droplet interaction simulations are validated using experimental sequences from the literature in the presence and absence of background turbulence. The framework is readily extensible for modelling the influence of surfactants and non-Newtonian fluids on droplet interaction processes. EPSRC, UK, MEMPHIS program Grant (EP/K003976/1), RAEng Research Chair (OKM), PETRONAS.

Analysis of solid particles falling down and interacting in a channel with sedimentation using fictitious boundary method

NASA Astrophysics Data System (ADS)

Usman, K.; Walayat, K.; Mahmood, R.; Kousar, N.

2018-06-01

We have examined the behavior of solid particles in particulate flows. The interaction of particles with each other and with the fluid is analyzed. Solid particles can move freely through a fixed computational mesh using an Eulerian approach. Fictitious boundary method (FBM) is used for treating the interaction between particles and the fluid. Hydrodynamic forces acting on the particle's surface are calculated using an explicit volume integral approach. A collision model proposed by Glowinski, Singh, Joseph and coauthors is used to handle particle-wall and particle-particle interactions. The particulate flow is computed using multigrid finite element solver FEATFLOW. Numerical experiments are performed considering two particles falling and colliding and sedimentation of many particles while interacting with each other. Results for these experiments are presented and compared with the reference values. Effects of the particle-particle interaction on the motion of the particles and on the physical behavior of the fluid-particle system has been analyzed.

Development of advanced Navier-Stokes solver

NASA Technical Reports Server (NTRS)

Yoon, Seokkwan

1994-01-01

The objective of research was to develop and validate new computational algorithms for solving the steady and unsteady Euler and Navier-Stokes equations. The end-products are new three-dimensional Euler and Navier-Stokes codes that are faster, more reliable, more accurate, and easier to use. The three-dimensional Euler and full/thin-layer Reynolds-averaged Navier-Stokes equations for compressible/incompressible flows are solved on structured hexahedral grids. The Baldwin-Lomax algebraic turbulence model is used for closure. The space discretization is based on a cell-centered finite-volume method augmented by a variety of numerical dissipation models with optional total variation diminishing limiters. The governing equations are integrated in time by an implicit method based on lower-upper factorization and symmetric Gauss-Seidel relaxation. The algorithm is vectorized on diagonal planes of sweep using two-dimensional indices in three dimensions. Convergence rates and the robustness of the codes are enhanced by the use of an implicit full approximation storage multigrid method.

Development of a Navier-Stokes algorithm for parallel-processing supercomputers. Ph.D. Thesis - Colorado State Univ., Dec. 1988

NASA Technical Reports Server (NTRS)

Swisshelm, Julie M.

1989-01-01

An explicit flow solver, applicable to the hierarchy of model equations ranging from Euler to full Navier-Stokes, is combined with several techniques designed to reduce computational expense. The computational domain consists of local grid refinements embedded in a global coarse mesh, where the locations of these refinements are defined by the physics of the flow. Flow characteristics are also used to determine which set of model equations is appropriate for solution in each region, thereby reducing not only the number of grid points at which the solution must be obtained, but also the computational effort required to get that solution. Acceleration to steady-state is achieved by applying multigrid on each of the subgrids, regardless of the particular model equations being solved. Since each of these components is explicit, advantage can readily be taken of the vector- and parallel-processing capabilities of machines such as the Cray X-MP and Cray-2.

The GBS code for tokamak scrape-off layer simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Halpern, F.D., E-mail: federico.halpern@epfl.ch; Ricci, P.; Jolliet, S.

2016-06-15

We describe a new version of GBS, a 3D global, flux-driven plasma turbulence code to simulate the turbulent dynamics in the tokamak scrape-off layer (SOL), superseding the code presented by Ricci et al. (2012) [14]. The present work is driven by the objective of studying SOL turbulent dynamics in medium size tokamaks and beyond with a high-fidelity physics model. We emphasize an intertwining framework of improved physics models and the computational improvements that allow them. The model extensions include neutral atom physics, finite ion temperature, the addition of a closed field line region, and a non-Boussinesq treatment of the polarizationmore » drift. GBS has been completely refactored with the introduction of a 3-D Cartesian communicator and a scalable parallel multigrid solver. We report dramatically enhanced parallel scalability, with the possibility of treating electromagnetic fluctuations very efficiently. The method of manufactured solutions as a verification process has been carried out for this new code version, demonstrating the correct implementation of the physical model.« less

Applications of automatic differentiation in computational fluid dynamics

NASA Technical Reports Server (NTRS)

Green, Lawrence L.; Carle, A.; Bischof, C.; Haigler, Kara J.; Newman, Perry A.

1994-01-01

Automatic differentiation (AD) is a powerful computational method that provides for computing exact sensitivity derivatives (SD) from existing computer programs for multidisciplinary design optimization (MDO) or in sensitivity analysis. A pre-compiler AD tool for FORTRAN programs called ADIFOR has been developed. The ADIFOR tool has been easily and quickly applied by NASA Langley researchers to assess the feasibility and computational impact of AD in MDO with several different FORTRAN programs. These include a state-of-the-art three dimensional multigrid Navier-Stokes flow solver for wings or aircraft configurations in transonic turbulent flow. With ADIFOR the user specifies sets of independent and dependent variables with an existing computer code. ADIFOR then traces the dependency path throughout the code, applies the chain rule to formulate derivative expressions, and generates new code to compute the required SD matrix. The resulting codes have been verified to compute exact non-geometric and geometric SD for a variety of cases. in less time than is required to compute the SD matrix using centered divided differences.

Multitasking a three-dimensional Navier-Stokes algorithm on the Cray-2

NASA Technical Reports Server (NTRS)

Swisshelm, Julie M.

1989-01-01

A three-dimensional computational aerodynamics algorithm has been multitasked for efficient parallel execution on the Cray-2. It provides a means for examining the multitasking performance of a complete CFD application code. An embedded zonal multigrid scheme is used to solve the Reynolds-averaged Navier-Stokes equations for an internal flow model problem. The explicit nature of each component of the method allows a spatial partitioning of the computational domain to achieve a well-balanced task load for MIMD computers with vector-processing capability. Experiments have been conducted with both two- and three-dimensional multitasked cases. The best speedup attained by an individual task group was 3.54 on four processors of the Cray-2, while the entire solver yielded a speedup of 2.67 on four processors for the three-dimensional case. The multiprocessing efficiency of various types of computational tasks is examined, performance on two Cray-2s with different memory access speeds is compared, and extrapolation to larger problems is discussed.

Multilevel acceleration of scattering-source iterations with application to electron transport

DOE PAGES

Drumm, Clif; Fan, Wesley

2017-08-18

Acceleration/preconditioning strategies available in the SCEPTRE radiation transport code are described. A flexible transport synthetic acceleration (TSA) algorithm that uses a low-order discrete-ordinates (S N) or spherical-harmonics (P N) solve to accelerate convergence of a high-order S N source-iteration (SI) solve is described. Convergence of the low-order solves can be further accelerated by applying off-the-shelf incomplete-factorization or algebraic-multigrid methods. Also available is an algorithm that uses a generalized minimum residual (GMRES) iterative method rather than SI for convergence, using a parallel sweep-based solver to build up a Krylov subspace. TSA has been applied as a preconditioner to accelerate the convergencemore » of the GMRES iterations. The methods are applied to several problems involving electron transport and problems with artificial cross sections with large scattering ratios. These methods were compared and evaluated by considering material discontinuities and scattering anisotropy. Observed accelerations obtained are highly problem dependent, but speedup factors around 10 have been observed in typical applications.« less

Adaptive Skin Meshes Coarsening for Biomolecular Simulation

PubMed Central

Shi, Xinwei; Koehl, Patrice

2011-01-01

In this paper, we present efficient algorithms for generating hierarchical molecular skin meshes with decreasing size and guaranteed quality. Our algorithms generate a sequence of coarse meshes for both the surfaces and the bounded volumes. Each coarser surface mesh is adaptive to the surface curvature and maintains the topology of the skin surface with guaranteed mesh quality. The corresponding tetrahedral mesh is conforming to the interface surface mesh and contains high quality tetrahedral that decompose both the interior of the molecule and the surrounding region (enclosed in a sphere). Our hierarchical tetrahedral meshes have a number of advantages that will facilitate fast and accurate multigrid PDE solvers. Firstly, the quality of both the surface triangulations and tetrahedral meshes is guaranteed. Secondly, the interface in the tetrahedral mesh is an accurate approximation of the molecular boundary. In particular, all the boundary points lie on the skin surface. Thirdly, our meshes are Delaunay meshes. Finally, the meshes are adaptive to the geometry. PMID:21779137

Structured grid technology to enable flow simulation in an integrated system environment

NASA Astrophysics Data System (ADS)

Remotigue, Michael Gerard

An application-driven Computational Fluid Dynamics (CFD) environment needs flexible and general tools to effectively solve complex problems in a timely manner. In addition, reusable, portable, and maintainable specialized libraries will aid in rapidly developing integrated systems or procedures. The presented structured grid technology enables the flow simulation for complex geometries by addressing grid generation, grid decomposition/solver setup, solution, and interpretation. Grid generation is accomplished with the graphical, arbitrarily-connected, multi-block structured grid generation software system (GUM-B) developed and presented here. GUM-B is an integrated system comprised of specialized libraries for the graphical user interface and graphical display coupled with a solid-modeling data structure that utilizes a structured grid generation library and a geometric library based on Non-Uniform Rational B-Splines (NURBS). A presented modification of the solid-modeling data structure provides the capability for arbitrarily-connected regions between the grid blocks. The presented grid generation library provides algorithms that are reliable and accurate. GUM-B has been utilized to generate numerous structured grids for complex geometries in hydrodynamics, propulsors, and aerodynamics. The versatility of the libraries that compose GUM-B is also displayed in a prototype to automatically regenerate a grid for a free-surface solution. Grid decomposition and solver setup is accomplished with the graphical grid manipulation and repartition software system (GUMBO) developed and presented here. GUMBO is an integrated system comprised of specialized libraries for the graphical user interface and graphical display coupled with a structured grid-tools library. The described functions within the grid-tools library reduce the possibility of human error during decomposition and setup for the numerical solver by accounting for boundary conditions and connectivity. GUMBO is linked with a flow solver interface, to the parallel UNCLE code, to provide load balancing tools and solver setup. Weeks of boundary condition and connectivity specification and validation has been reduced to hours. The UNCLE flow solver is utilized for the solution of the flow field. To accelerate convergence toward a quick engineering answer, a full multigrid (FMG) approach coupled with UNCLE, which is a full approximation scheme (FAS), is presented. The prolongation operators used in the FMG-FAS method are compared. The procedure is demonstrated on a marine propeller in incompressible flow. Interpretation of the solution is accomplished by vortex feature detection. Regions of "Intrinsic Swirl" are located by interrogating the velocity gradient tensor for complex eigenvalues. The "Intrinsic Swirl" parameter is visualized on a solution of a marine propeller to determine if any vortical features are captured. The libraries and the structured grid technology presented herein are flexible and general enough to tackle a variety of complex applications. This technology has significantly enabled the capability of the ERC personnel to effectively calculate solutions for complex geometries.

SSE-based Thomas algorithm for quasi-block-tridiagonal linear equation systems, optimized for small dense blocks

NASA Astrophysics Data System (ADS)

Barnaś, Dawid; Bieniasz, Lesław K.

2017-07-01

We have recently developed a vectorized Thomas solver for quasi-block tridiagonal linear algebraic equation systems using Streaming SIMD Extensions (SSE) and Advanced Vector Extensions (AVX) in operations on dense blocks [D. Barnaś and L. K. Bieniasz, Int. J. Comput. Meth., accepted]. The acceleration caused by vectorization was observed for large block sizes, but was less satisfactory for small blocks. In this communication we report on another version of the solver, optimized for small blocks of size up to four rows and/or columns.

Ensemble Grouping Strategies for Embedded Stochastic Collocation Methods Applied to Anisotropic Diffusion Problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

D'Elia, M.; Edwards, H. C.; Hu, J.

Previous work has demonstrated that propagating groups of samples, called ensembles, together through forward simulations can dramatically reduce the aggregate cost of sampling-based uncertainty propagation methods [E. Phipps, M. D'Elia, H. C. Edwards, M. Hoemmen, J. Hu, and S. Rajamanickam, SIAM J. Sci. Comput., 39 (2017), pp. C162--C193]. However, critical to the success of this approach when applied to challenging problems of scientific interest is the grouping of samples into ensembles to minimize the total computational work. For example, the total number of linear solver iterations for ensemble systems may be strongly influenced by which samples form the ensemble whenmore » applying iterative linear solvers to parameterized and stochastic linear systems. In this paper we explore sample grouping strategies for local adaptive stochastic collocation methods applied to PDEs with uncertain input data, in particular canonical anisotropic diffusion problems where the diffusion coefficient is modeled by truncated Karhunen--Loève expansions. Finally, we demonstrate that a measure of the total anisotropy of the diffusion coefficient is a good surrogate for the number of linear solver iterations for each sample and therefore provides a simple and effective metric for grouping samples.« less

Ensemble Grouping Strategies for Embedded Stochastic Collocation Methods Applied to Anisotropic Diffusion Problems

DOE PAGES

D'Elia, M.; Edwards, H. C.; Hu, J.; ...

2018-01-18

Previous work has demonstrated that propagating groups of samples, called ensembles, together through forward simulations can dramatically reduce the aggregate cost of sampling-based uncertainty propagation methods [E. Phipps, M. D'Elia, H. C. Edwards, M. Hoemmen, J. Hu, and S. Rajamanickam, SIAM J. Sci. Comput., 39 (2017), pp. C162--C193]. However, critical to the success of this approach when applied to challenging problems of scientific interest is the grouping of samples into ensembles to minimize the total computational work. For example, the total number of linear solver iterations for ensemble systems may be strongly influenced by which samples form the ensemble whenmore » applying iterative linear solvers to parameterized and stochastic linear systems. In this paper we explore sample grouping strategies for local adaptive stochastic collocation methods applied to PDEs with uncertain input data, in particular canonical anisotropic diffusion problems where the diffusion coefficient is modeled by truncated Karhunen--Loève expansions. Finally, we demonstrate that a measure of the total anisotropy of the diffusion coefficient is a good surrogate for the number of linear solver iterations for each sample and therefore provides a simple and effective metric for grouping samples.« less

High order multi-grid methods to solve the Poisson equation

NASA Technical Reports Server (NTRS)

Schaffer, S.

1981-01-01

High order multigrid methods based on finite difference discretization of the model problem are examined. The following methods are described: (1) a fixed high order FMG-FAS multigrid algorithm; (2) the high order methods; and (3) results are presented on four problems using each method with the same underlying fixed FMG-FAS algorithm.

A Critical Study of Agglomerated Multigrid Methods for Diffusion

NASA Technical Reports Server (NTRS)

Thomas, James L.; Nishikawa, Hiroaki; Diskin, Boris

2009-01-01

Agglomerated multigrid techniques used in unstructured-grid methods are studied critically for a model problem representative of laminar diffusion in the incompressible limit. The studied target-grid discretizations and discretizations used on agglomerated grids are typical of current node-centered formulations. Agglomerated multigrid convergence rates are presented using a range of two- and three-dimensional randomly perturbed unstructured grids for simple geometries with isotropic and highly stretched grids. Two agglomeration techniques are used within an overall topology-preserving agglomeration framework. The results show that multigrid with an inconsistent coarse-grid scheme using only the edge terms (also referred to in the literature as a thin-layer formulation) provides considerable speedup over single-grid methods but its convergence deteriorates on finer grids. Multigrid with a Galerkin coarse-grid discretization using piecewise-constant prolongation and a heuristic correction factor is slower and also grid-dependent. In contrast, grid-independent convergence rates are demonstrated for multigrid with consistent coarse-grid discretizations. Actual cycle results are verified using quantitative analysis methods in which parts of the cycle are replaced by their idealized counterparts.

Unified gas-kinetic scheme with multigrid convergence for rarefied flow study

NASA Astrophysics Data System (ADS)

Zhu, Yajun; Zhong, Chengwen; Xu, Kun

2017-09-01

The unified gas kinetic scheme (UGKS) is based on direct modeling of gas dynamics on the mesh size and time step scales. With the modeling of particle transport and collision in a time-dependent flux function in a finite volume framework, the UGKS can connect the flow physics smoothly from the kinetic particle transport to the hydrodynamic wave propagation. In comparison with the direct simulation Monte Carlo (DSMC) method, the current equation-based UGKS can implement implicit techniques in the updates of macroscopic conservative variables and microscopic distribution functions. The implicit UGKS significantly increases the convergence speed for steady flow computations, especially in the highly rarefied and near continuum regimes. In order to further improve the computational efficiency, for the first time, a geometric multigrid technique is introduced into the implicit UGKS, where the prediction step for the equilibrium state and the evolution step for the distribution function are both treated with multigrid acceleration. More specifically, a full approximate nonlinear system is employed in the prediction step for fast evaluation of the equilibrium state, and a correction linear equation is solved in the evolution step for the update of the gas distribution function. As a result, convergent speed has been greatly improved in all flow regimes from rarefied to the continuum ones. The multigrid implicit UGKS (MIUGKS) is used in the non-equilibrium flow study, which includes microflow, such as lid-driven cavity flow and the flow passing through a finite-length flat plate, and high speed one, such as supersonic flow over a square cylinder. The MIUGKS shows 5-9 times efficiency increase over the previous implicit scheme. For the low speed microflow, the efficiency of MIUGKS is several orders of magnitude higher than the DSMC. Even for the hypersonic flow at Mach number 5 and Knudsen number 0.1, the MIUGKS is still more than 100 times faster than the DSMC method for obtaining a convergent steady state solution.

Acceleration of the chemistry solver for modeling DI engine combustion using dynamic adaptive chemistry (DAC) schemes

NASA Astrophysics Data System (ADS)

Shi, Yu; Liang, Long; Ge, Hai-Wen; Reitz, Rolf D.

2010-03-01

Acceleration of the chemistry solver for engine combustion is of much interest due to the fact that in practical engine simulations extensive computational time is spent solving the fuel oxidation and emission formation chemistry. A dynamic adaptive chemistry (DAC) scheme based on a directed relation graph error propagation (DRGEP) method has been applied to study homogeneous charge compression ignition (HCCI) engine combustion with detailed chemistry (over 500 species) previously using an R-value-based breadth-first search (RBFS) algorithm, which significantly reduced computational times (by as much as 30-fold). The present paper extends the use of this on-the-fly kinetic mechanism reduction scheme to model combustion in direct-injection (DI) engines. It was found that the DAC scheme becomes less efficient when applied to DI engine simulations using a kinetic mechanism of relatively small size and the accuracy of the original DAC scheme decreases for conventional non-premixed combustion engine. The present study also focuses on determination of search-initiating species, involvement of the NOx chemistry, selection of a proper error tolerance, as well as treatment of the interaction of chemical heat release and the fuel spray. Both the DAC schemes were integrated into the ERC KIVA-3v2 code, and simulations were conducted to compare the two schemes. In general, the present DAC scheme has better efficiency and similar accuracy compared to the previous DAC scheme. The efficiency depends on the size of the chemical kinetics mechanism used and the engine operating conditions. For cases using a small n-heptane kinetic mechanism of 34 species, 30% of the computational time is saved, and 50% for a larger n-heptane kinetic mechanism of 61 species. The paper also demonstrates that by combining the present DAC scheme with an adaptive multi-grid chemistry (AMC) solver, it is feasible to simulate a direct-injection engine using a detailed n-heptane mechanism with 543 species with practical computer time.

Compact tunable silicon photonic differential-equation solver for general linear time-invariant systems.

PubMed

Wu, Jiayang; Cao, Pan; Hu, Xiaofeng; Jiang, Xinhong; Pan, Ting; Yang, Yuxing; Qiu, Ciyuan; Tremblay, Christine; Su, Yikai

2014-10-20

We propose and experimentally demonstrate an all-optical temporal differential-equation solver that can be used to solve ordinary differential equations (ODEs) characterizing general linear time-invariant (LTI) systems. The photonic device implemented by an add-drop microring resonator (MRR) with two tunable interferometric couplers is monolithically integrated on a silicon-on-insulator (SOI) wafer with a compact footprint of ~60 μm × 120 μm. By thermally tuning the phase shifts along the bus arms of the two interferometric couplers, the proposed device is capable of solving first-order ODEs with two variable coefficients. The operation principle is theoretically analyzed, and system testing of solving ODE with tunable coefficients is carried out for 10-Gb/s optical Gaussian-like pulses. The experimental results verify the effectiveness of the fabricated device as a tunable photonic ODE solver.

On the connection between multigrid and cyclic reduction

NASA Technical Reports Server (NTRS)

Merriam, M. L.

1984-01-01

A technique is shown whereby it is possible to relate a particular multigrid process to cyclic reduction using purely mathematical arguments. This technique suggest methods for solving Poisson's equation in 1-, 2-, or 3-dimensions with Dirichlet or Neumann boundary conditions. In one dimension the method is exact and, in fact, reduces to cyclic reduction. This provides a valuable reference point for understanding multigrid techniques. The particular multigrid process analyzed is referred to here as Approximate Cyclic Reduction (ACR) and is one of a class known as Multigrid Reduction methods in the literature. It involves one approximation with a known error term. It is possible to relate the error term in this approximation with certain eigenvector components of the error. These are sharply reduced in amplitude by classical relaxation techniques. The approximation can thus be made a very good one.

TOUGH3: A new efficient version of the TOUGH suite of multiphase flow and transport simulators

NASA Astrophysics Data System (ADS)

Jung, Yoojin; Pau, George Shu Heng; Finsterle, Stefan; Pollyea, Ryan M.

2017-11-01

The TOUGH suite of nonisothermal multiphase flow and transport simulators has been updated by various developers over many years to address a vast range of challenging subsurface problems. The increasing complexity of the simulated processes as well as the growing size of model domains that need to be handled call for an improvement in the simulator's computational robustness and efficiency. Moreover, modifications have been frequently introduced independently, resulting in multiple versions of TOUGH that (1) led to inconsistencies in feature implementation and usage, (2) made code maintenance and development inefficient, and (3) caused confusion to users and developers. TOUGH3-a new base version of TOUGH-addresses these issues. It consolidates both the serial (TOUGH2 V2.1) and parallel (TOUGH2-MP V2.0) implementations, enabling simulations to be performed on desktop computers and supercomputers using a single code. New PETSc parallel linear solvers are added to the existing serial solvers of TOUGH2 and the Aztec solver used in TOUGH2-MP. The PETSc solvers generally perform better than the Aztec solvers in parallel and the internal TOUGH3 linear solver in serial. TOUGH3 also incorporates many new features, addresses bugs, and improves the flexibility of data handling. Due to the improved capabilities and usability, TOUGH3 is more robust and efficient for solving tough and computationally demanding problems in diverse scientific and practical applications related to subsurface flow modeling.

Thyra Abstract Interface Package

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bartlett, Roscoe A.

2005-09-01

Thrya primarily defines a set of abstract C++ class interfaces needed for the development of abstract numerical atgorithms (ANAs) such as iterative linear solvers, transient solvers all the way up to optimization. At the foundation of these interfaces are abstract C++ classes for vectors, vector spaces, linear operators and multi-vectors. Also included in the Thyra package is C++ code for creating concrete vector, vector space, linear operator, and multi-vector subclasses as well as other utilities to aid in the development of ANAs. Currently, very general and efficient concrete subclass implementations exist for serial and SPMD in-core vectors and multi-vectors. Codemore » also currently exists for testing objects and providing composite objects such as product vectors.« less

Convergence acceleration of the Proteus computer code with multigrid methods

NASA Technical Reports Server (NTRS)

Demuren, A. O.; Ibraheem, S. O.

1992-01-01

Presented here is the first part of a study to implement convergence acceleration techniques based on the multigrid concept in the Proteus computer code. A review is given of previous studies on the implementation of multigrid methods in computer codes for compressible flow analysis. Also presented is a detailed stability analysis of upwind and central-difference based numerical schemes for solving the Euler and Navier-Stokes equations. Results are given of a convergence study of the Proteus code on computational grids of different sizes. The results presented here form the foundation for the implementation of multigrid methods in the Proteus code.

Sonic Boom Prediction and Minimization of the Douglas Reference OPT5 Configuration

NASA Technical Reports Server (NTRS)

Siclari, Michael J.

1999-01-01

Conventional CFD methods and grids do not yield adequate resolution of the complex shock flow pattern generated by a real aircraft geometry. As a result, a unique grid topology and supersonic flow solver was developed at Northrop Grumman based on the characteristic behavior of supersonic wave patterns emanating from the aircraft. Using this approach, it was possible to compute flow fields with adequate resolution several body lengths below the aircraft. In this region, three-dimensional effects are diminished and conventional two-dimensional modified linear theory (MLT) can be applied to estimate ground pressure signatures or sonic booms. To accommodate real aircraft geometries and alleviate the burdensome grid generation task, an implicit marching multi-block, multi-grid finite-volume Euler code was developed as the basis for the sonic boom prediction methodology. The Thomas two-dimensional extrapolation method is built into the Euler code so that ground signatures can be obtained quickly and efficiently with minimum computational effort suitable to the aircraft design environment. The loudness levels of these signatures can then be determined using a NASA generated noise code. Since the Euler code is a three-dimensional flow field solver, the complete circumferential region below the aircraft is computed. The extrapolation of all this field data from a cylinder of constant radius leads to the definition of the entire boom corridor occurring directly below and off to the side of the aircraft's flight path yielding an estimate for the entire noise "annoyance" corridor in miles as well as its magnitude. An automated multidisciplinary sonic boom design optimization software system was developed during the latter part of HSR Phase 1. Using this system, it was found that sonic boom signatures could be reduced through optimization of a variety of geometric aircraft parameters. This system uses a gradient based nonlinear optimizer as the driver in conjunction with a computationally efficient Euler CFD solver (NIIM3DSB) for computing the three-dimensional near-field characteristics of the aircraft. The intent of the design system is to identify and optimize geometric design variables that have a beneficial impact on the ground sonic boom. The system uses a simple wave drag data format to specify the aircraft geometry. The geometry is internally enhanced and analytic methods are used to generate marching grids suitable for the multi-block Euler solver. The Thomas extrapolation method is integrated into this system, and hence, the aircraft's centerline ground sonic boom signature is also automatically computed for a specified cruise altitude and yields the parameters necessary to evaluate the design function. The entire design system has been automated since the gradient based optimization software requires many flow analyses in order to obtain the required sensitivity derivatives for each design variable in order to converge on an optimal solution. Hence, once the problem is defined which includes defining the objective function and geometric and aerodynamic constraints, the system will automatically regenerate the perturbed geometry, the necessary grids, the Euler solution, and finally the ground sonic boom signature at the request of the optimizer.

Multigrid method for the equilibrium equations of elasticity using a compact scheme

NASA Technical Reports Server (NTRS)

Taasan, S.

1986-01-01

A compact difference scheme is derived for treating the equilibrium equations of elasticity. The scheme is inconsistent and unstable. A multigrid method which takes into account these properties is described. The solution of the discrete equations, up to the level of discretization errors, is obtained by this method in just two multigrid cycles.

Is the Multigrid Method Fault Tolerant? The Two-Grid Case

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ainsworth, Mark; Glusa, Christian

2016-06-30

The predicted reduced resiliency of next-generation high performance computers means that it will become necessary to take into account the effects of randomly occurring faults on numerical methods. Further, in the event of a hard fault occurring, a decision has to be made as to what remedial action should be taken in order to resume the execution of the algorithm. The action that is chosen can have a dramatic effect on the performance and characteristics of the scheme. Ideally, the resulting algorithm should be subjected to the same kind of mathematical analysis that was applied to the original, deterministic variant.more » The purpose of this work is to provide an analysis of the behaviour of the multigrid algorithm in the presence of faults. Multigrid is arguably the method of choice for the solution of large-scale linear algebra problems arising from discretization of partial differential equations and it is of considerable importance to anticipate its behaviour on an exascale machine. The analysis of resilience of algorithms is in its infancy and the current work is perhaps the first to provide a mathematical model for faults and analyse the behaviour of a state-of-the-art algorithm under the model. It is shown that the Two Grid Method fails to be resilient to faults. Attention is then turned to identifying the minimal necessary remedial action required to restore the rate of convergence to that enjoyed by the ideal fault-free method.« less

Simultaneous elastic parameter inversion in 2-D/3-D TTI medium combined later arrival times

NASA Astrophysics Data System (ADS)

Bai, Chao-ying; Wang, Tao; Yang, Shang-bei; Li, Xing-wang; Huang, Guo-jiao

2016-04-01

Traditional traveltime inversion for anisotropic medium is, in general, based on a "weak" assumption in the anisotropic property, which simplifies both the forward part (ray tracing is performed once only) and the inversion part (a linear inversion solver is possible). But for some real applications, a general (both "weak" and "strong") anisotropic medium should be considered. In such cases, one has to develop a ray tracing algorithm to handle with the general (including "strong") anisotropic medium and also to design a non-linear inversion solver for later tomography. Meanwhile, it is constructive to investigate how much the tomographic resolution can be improved by introducing the later arrivals. For this motivation, we incorporated our newly developed ray tracing algorithm (multistage irregular shortest-path method) for general anisotropic media with a non-linear inversion solver (a damped minimum norm, constrained least squares problem with a conjugate gradient approach) to formulate a non-linear inversion solver for anisotropic medium. This anisotropic traveltime inversion procedure is able to combine the later (reflected) arrival times. Both 2-D/3-D synthetic inversion experiments and comparison tests show that (1) the proposed anisotropic traveltime inversion scheme is able to recover the high contrast anomalies and (2) it is possible to improve the tomographic resolution by introducing the later (reflected) arrivals, but not as expected in the isotropic medium, because the different velocity (qP, qSV and qSH) sensitivities (or derivatives) respective to the different elastic parameters are not the same but are also dependent on the inclination angle.

Reynolds-averaged Navier-Stokes based ice accretion for aircraft wings

NASA Astrophysics Data System (ADS)

Lashkajani, Kazem Hasanzadeh

This thesis addresses one of the current issues in flight safety towards increasing icing simulation capabilities for prediction of complex 2D and 3D glaze ice shapes over aircraft surfaces. During the 1980's and 1990's, the field of aero-icing was established to support design and certification of aircraft flying in icing conditions. The multidisciplinary technologies used in such codes were: aerodynamics (panel method), droplet trajectory calculations (Lagrangian framework), thermodynamic module (Messinger model) and geometry module (ice accretion). These are embedded in a quasi-steady module to simulate the time-dependent ice accretion process (multi-step procedure). The objectives of the present research are to upgrade the aerodynamic module from Laplace to Reynolds-Average Navier-Stokes equations solver. The advantages are many. First, the physical model allows accounting for viscous effects in the aerodynamic module. Second, the solution of the aero-icing module directly provides the means for characterizing the aerodynamic effects of icing, such as loss of lift and increased drag. Third, the use of a finite volume approach to solving the Partial Differential Equations allows rigorous mesh and time convergence analysis. Finally, the approaches developed in 2D can be easily transposed to 3D problems. The research was performed in three major steps, each providing insights into the overall numerical approaches. The most important realization comes from the need to develop specific mesh generation algorithms to ensure feasible solutions in very complex multi-step aero-icing calculations. The contributions are presented in chronological order of their realization. First, a new framework for RANS based two-dimensional ice accretion code, CANICE2D-NS, is developed. A multi-block RANS code from U. of Liverpool (named PMB) is providing the aerodynamic field using the Spalart-Allmaras turbulence model. The ICEM-CFD commercial tool is used for the iced airfoil remeshing and field smoothing. The new coupling is fully automated and capable of multi-step ice accretion simulations via a quasi-steady approach. In addition, the framework allows for flow analysis and aerodynamic performance prediction of the iced airfoils. The convergence of the quasi-steady algorithm is verified and identifies the need for an order of magnitude increase in the number of multi-time steps in icing simulations to achieve solver independent solutions. Second, a Multi-Block Navier-Stokes code, NSMB, is coupled with the CANICE2D icing framework. Attention is paid to the roughness implementation of the ONERA roughness model within the Spalart-Allmaras turbulence model, and to the convergence of the steady and quasi-steady iterative procedure. Effects of uniform surface roughness in quasi-steady ice accretion simulation are analyzed through different validation test cases. The results of CANICE2D-NS show good agreement with experimental data both in terms of predicted ice shapes as well as aerodynamic analysis of predicted and experimental ice shapes. Third, an efficient single-block structured Navier-Stokes CFD code, NSCODE, is coupled with the CANICE2D-NS icing framework. Attention is paid to the roughness implementation of the Boeing model within the Spalart-Allmaras turbulence model, and to acceleration of the convergence of the steady and quasi-steady iterative procedures. Effects of uniform surface roughness in quasi-steady ice accretion simulation are analyzed through different validation test cases, including code to code comparisons with the same framework coupled with the NSMB Navier-Stokes solver. The efficiency of the J-multigrid approach to solve the flow equations on complex iced geometries is demonstrated. Since it was noted in all these calculations that the ICEM-CFD grid generation package produced a number of issues such as inefficient mesh quality and smoothing deficiencies (notably grid shocks), a fourth study proposes a new mesh generation algorithm. A PDE based multi-block structured grid generation code, NSGRID, is developed for this purpose. The study includes the developments of novel mesh generation algorithms over complex glaze ice shapes containing multi-curvature ice accretion geometries, such as single/double ice horns. The twofold approaches tackle surface geometry discretization as well as field mesh generation. An adaptive curvilinear curvature control algorithm is constructed solving a 1D elliptic PDE equation with periodic source terms. This method controls the arclength grid spacing so that high convex and concave curvature regions around ice horns are appropriately captured and is shown to effectively treat the grid shock problem. Then, a novel blended method is developed by defining combinations of source terms with 2D elliptic equations. The source terms include two common control functions, Sorenson and Spekreijse, and an additional third source term to improve orthogonality. This blended method is shown to be very effective for improving grid quality metrics for complex glaze ice meshes with RANS resolution. The performance in terms of residual reduction per non-linear iteration of several solution algorithms (Point-Jacobi, Gauss-Seidel, ADI, Point and Line SOR) are discussed within the context of a full Multi-grid operator. Details are given on the various formulations used in the linearization process. It is shown that the performance of the solution algorithm depends on the type of control function used. Finally, the algorithms are validated on standard complex experimental ice shapes, demonstrating the applicability of the methods. Finally, the automated framework of RANS based two-dimensional multi-step ice accretion, CANICE2D-NS is developed, coupled with a Multi-Block Navier-Stokes CFD code, NSCODE2D, a Multi-Block elliptic grid generation code, NSGRID2D, and a Multi-Block Eulerian droplet solver, NSDROP2D (developed at Polytechnique Montreal). The framework allows Lagrangian and Eulerian droplet computations within a chimera approach treating multi-elements geometries. The code was tested on public and confidential validation test cases including standard NATO cases. In addition, up to 10 times speedup is observed in the mesh generation procedure by using the implicit line SOR and ADI smoothers within a multigrid procedure. The results demonstrate the benefits and robustness of the new framework in predicting ice shapes and aerodynamic performance parameters.

A Robust Locally Preconditioned Semi-Coarsening Multigrid Algorithm for the 2-D Navier-Stokes Equations

NASA Technical Reports Server (NTRS)

Cain, Michael D.

1999-01-01

The goal of this thesis is to develop an efficient and robust locally preconditioned semi-coarsening multigrid algorithm for the two-dimensional Navier-Stokes equations. This thesis examines the performance of the multigrid algorithm with local preconditioning for an upwind-discretization of the Navier-Stokes equations. A block Jacobi iterative scheme is used because of its high frequency error mode damping ability. At low Mach numbers, the performance of a flux preconditioner is investigated. The flux preconditioner utilizes a new limiting technique based on local information that was developed by Siu. Full-coarsening and-semi-coarsening are examined as well as the multigrid V-cycle and full multigrid. The numerical tests were performed on a NACA 0012 airfoil at a range of Mach numbers. The tests show that semi-coarsening with flux preconditioning is the most efficient and robust combination of coarsening strategy, and iterative scheme - especially at low Mach numbers.

Unweighted least squares phase unwrapping by means of multigrid techniques

NASA Astrophysics Data System (ADS)

Pritt, Mark D.

1995-11-01

We present a multigrid algorithm for unweighted least squares phase unwrapping. This algorithm applies Gauss-Seidel relaxation schemes to solve the Poisson equation on smaller, coarser grids and transfers the intermediate results to the finer grids. This approach forms the basis of our multigrid algorithm for weighted least squares phase unwrapping, which is described in a separate paper. The key idea of our multigrid approach is to maintain the partial derivatives of the phase data in separate arrays and to correct these derivatives at the boundaries of the coarser grids. This maintains the boundary conditions necessary for rapid convergence to the correct solution. Although the multigrid algorithm is an iterative algorithm, we demonstrate that it is nearly as fast as the direct Fourier-based method. We also describe how to parallelize the algorithm for execution on a distributed-memory parallel processor computer or a network-cluster of workstations.

Uniform convergence of multigrid V-cycle iterations for indefinite and nonsymmetric problems

NASA Technical Reports Server (NTRS)

Bramble, James H.; Kwak, Do Y.; Pasciak, Joseph E.

1993-01-01

In this paper, we present an analysis of a multigrid method for nonsymmetric and/or indefinite elliptic problems. In this multigrid method various types of smoothers may be used. One type of smoother which we consider is defined in terms of an associated symmetric problem and includes point and line, Jacobi, and Gauss-Seidel iterations. We also study smoothers based entirely on the original operator. One is based on the normal form, that is, the product of the operator and its transpose. Other smoothers studied include point and line, Jacobi, and Gauss-Seidel. We show that the uniform estimates for symmetric positive definite problems carry over to these algorithms. More precisely, the multigrid iteration for the nonsymmetric and/or indefinite problem is shown to converge at a uniform rate provided that the coarsest grid in the multilevel iteration is sufficiently fine (but not depending on the number of multigrid levels).

Three-dimensional Finite Element Formulation and Scalable Domain Decomposition for High Fidelity Rotor Dynamic Analysis

NASA Technical Reports Server (NTRS)

Datta, Anubhav; Johnson, Wayne R.

2009-01-01

This paper has two objectives. The first objective is to formulate a 3-dimensional Finite Element Model for the dynamic analysis of helicopter rotor blades. The second objective is to implement and analyze a dual-primal iterative substructuring based Krylov solver, that is parallel and scalable, for the solution of the 3-D FEM analysis. The numerical and parallel scalability of the solver is studied using two prototype problems - one for ideal hover (symmetric) and one for a transient forward flight (non-symmetric) - both carried out on up to 48 processors. In both hover and forward flight conditions, a perfect linear speed-up is observed, for a given problem size, up to the point of substructure optimality. Substructure optimality and the linear parallel speed-up range are both shown to depend on the problem size as well as on the selection of the coarse problem. With a larger problem size, linear speed-up is restored up to the new substructure optimality. The solver also scales with problem size - even though this conclusion is premature given the small prototype grids considered in this study.

Determining the Optimal Values of Exponential Smoothing Constants--Does Solver Really Work?

ERIC Educational Resources Information Center

Ravinder, Handanhal V.

2013-01-01

A key issue in exponential smoothing is the choice of the values of the smoothing constants used. One approach that is becoming increasingly popular in introductory management science and operations management textbooks is the use of Solver, an Excel-based non-linear optimizer, to identify values of the smoothing constants that minimize a measure…

A Unified Approach to Optimization

DTIC Science & Technology

2014-10-02

employee scheduling, ad placement, latin squares, disjunctions of linear systems, temporal modeling with interval variables, and traveling salesman problems ...integrating technologies. A key to integrated modeling is to formulate a problem with high-levelmetaconstraints, which are inspired by the “global... problem substructure to the solver. This contrasts with the atomistic modeling style of mixed integer programming (MIP) and satisfiability (SAT) solvers

Distributed Relaxation Multigrid and Defect Correction Applied to the Compressible Navier-Stokes Equations

NASA Technical Reports Server (NTRS)

Thomas, J. L.; Diskin, B.; Brandt, A.

1999-01-01

The distributed-relaxation multigrid and defect- correction methods are applied to the two- dimensional compressible Navier-Stokes equations. The formulation is intended for high Reynolds number applications and several applications are made at a laminar Reynolds number of 10,000. A staggered- grid arrangement of variables is used; the coupled pressure and internal energy equations are solved together with multigrid, requiring a block 2x2 matrix solution. Textbook multigrid efficiencies are attained for incompressible and slightly compressible simulations of the boundary layer on a flat plate. Textbook efficiencies are obtained for compressible simulations up to Mach numbers of 0.7 for a viscous wake simulation.

3D Parallel Multigrid Methods for Real-Time Fluid Simulation

NASA Astrophysics Data System (ADS)

Wan, Feifei; Yin, Yong; Zhang, Suiyu

2018-03-01

The multigrid method is widely used in fluid simulation because of its strong convergence. In addition to operating accuracy, operational efficiency is also an important factor to consider in order to enable real-time fluid simulation in computer graphics. For this problem, we compared the performance of the Algebraic Multigrid and the Geometric Multigrid in the V-Cycle and Full-Cycle schemes respectively, and analyze the convergence and speed of different methods. All the calculations are done on the parallel computing of GPU in this paper. Finally, we experiment with the 3D-grid for each scale, and give the exact experimental results.

P1 Nonconforming Finite Element Method for the Solution of Radiation Transport Problems

NASA Technical Reports Server (NTRS)

Kang, Kab S.

2002-01-01

The simulation of radiation transport in the optically thick flux-limited diffusion regime has been identified as one of the most time-consuming tasks within large simulation codes. Due to multimaterial complex geometry, the radiation transport system must often be solved on unstructured grids. In this paper, we investigate the behavior and the benefits of the unstructured P(sub 1) nonconforming finite element method, which has proven to be flexible and effective on related transport problems, in solving unsteady implicit nonlinear radiation diffusion problems using Newton and Picard linearization methods. Key words. nonconforrning finite elements, radiation transport, inexact Newton linearization, multigrid preconditioning

Simulation of violent free surface flow by AMR method

NASA Astrophysics Data System (ADS)

Hu, Changhong; Liu, Cheng

2018-05-01

A novel CFD approach based on adaptive mesh refinement (AMR) technique is being developed for numerical simulation of violent free surface flows. CIP method is applied to the flow solver and tangent of hyperbola for interface capturing with slope weighting (THINC/SW) scheme is implemented as the free surface capturing scheme. The PETSc library is adopted to solve the linear system. The linear solver is redesigned and modified to satisfy the requirement of the AMR mesh topology. In this paper, our CFD method is outlined and newly obtained results on numerical simulation of violent free surface flows are presented.

A preconditioner for the finite element computation of incompressible, nonlinear elastic deformations

NASA Astrophysics Data System (ADS)

Whiteley, J. P.

2017-10-01

Large, incompressible elastic deformations are governed by a system of nonlinear partial differential equations. The finite element discretisation of these partial differential equations yields a system of nonlinear algebraic equations that are usually solved using Newton's method. On each iteration of Newton's method, a linear system must be solved. We exploit the structure of the Jacobian matrix to propose a preconditioner, comprising two steps. The first step is the solution of a relatively small, symmetric, positive definite linear system using the preconditioned conjugate gradient method. This is followed by a small number of multigrid V-cycles for a larger linear system. Through the use of exemplar elastic deformations, the preconditioner is demonstrated to facilitate the iterative solution of the linear systems arising. The number of GMRES iterations required has only a very weak dependence on the number of degrees of freedom of the linear systems.

MIBPB: a software package for electrostatic analysis.

PubMed

Chen, Duan; Chen, Zhan; Chen, Changjun; Geng, Weihua; Wei, Guo-Wei

2011-03-01

The Poisson-Boltzmann equation (PBE) is an established model for the electrostatic analysis of biomolecules. The development of advanced computational techniques for the solution of the PBE has been an important topic in the past two decades. This article presents a matched interface and boundary (MIB)-based PBE software package, the MIBPB solver, for electrostatic analysis. The MIBPB has a unique feature that it is the first interface technique-based PBE solver that rigorously enforces the solution and flux continuity conditions at the dielectric interface between the biomolecule and the solvent. For protein molecular surfaces, which may possess troublesome geometrical singularities, the MIB scheme makes the MIBPB by far the only existing PBE solver that is able to deliver the second-order convergence, that is, the accuracy increases four times when the mesh size is halved. The MIBPB method is also equipped with a Dirichlet-to-Neumann mapping technique that builds a Green's function approach to analytically resolve the singular charge distribution in biomolecules in order to obtain reliable solutions at meshes as coarse as 1 Å--whereas it usually takes other traditional PB solvers 0.25 Å to reach similar level of reliability. This work further accelerates the rate of convergence of linear equation systems resulting from the MIBPB by using the Krylov subspace (KS) techniques. Condition numbers of the MIBPB matrices are significantly reduced by using appropriate KS solver and preconditioner combinations. Both linear and nonlinear PBE solvers in the MIBPB package are tested by protein-solvent solvation energy calculations and analysis of salt effects on protein-protein binding energies, respectively. Copyright © 2010 Wiley Periodicals, Inc.

MIBPB: A software package for electrostatic analysis

PubMed Central

Chen, Duan; Chen, Zhan; Chen, Changjun; Geng, Weihua; Wei, Guo-Wei

2010-01-01

The Poisson-Boltzmann equation (PBE) is an established model for the electrostatic analysis of biomolecules. The development of advanced computational techniques for the solution of the PBE has been an important topic in the past two decades. This paper presents a matched interface and boundary (MIB) based PBE software package, the MIBPB solver, for electrostatic analysis. The MIBPB has a unique feature that it is the first interface technique based PBE solver that rigorously enforces the solution and flux continuity conditions at the dielectric interface between the biomolecule and the solvent. For protein molecular surfaces which may possess troublesome geometrical singularities, the MIB scheme makes the MIBPB by far the only existing PBE solver that is able to deliver the second order convergence, i.e., the accuracy increases four times when the mesh size is halved. The MIBPB method is also equipped with a Dirichlet-to-Neumann mapping (DNM) technique, that builds a Green's function approach to analytically resolve the singular charge distribution in biomolecules in order to obtain reliable solutions at meshes as coarse as 1Å — while it usually takes other traditional PB solvers 0.25Å to reach similar level of reliability. The present work further accelerates the rate of convergence of linear equation systems resulting from the MIBPB by utilizing the Krylov subspace (KS) techniques. Condition numbers of the MIBPB matrices are significantly reduced by using appropriate Krylov subspace solver and preconditioner combinations. Both linear and nonlinear PBE solvers in the MIBPB package are tested by protein-solvent solvation energy calculations and analysis of salt effects on protein-protein binding energies, respectively. PMID:20845420

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Chao; Pouransari, Hadi; Rajamanickam, Sivasankaran

We present a parallel hierarchical solver for general sparse linear systems on distributed-memory machines. For large-scale problems, this fully algebraic algorithm is faster and more memory-efficient than sparse direct solvers because it exploits the low-rank structure of fill-in blocks. Depending on the accuracy of low-rank approximations, the hierarchical solver can be used either as a direct solver or as a preconditioner. The parallel algorithm is based on data decomposition and requires only local communication for updating boundary data on every processor. Moreover, the computation-to-communication ratio of the parallel algorithm is approximately the volume-to-surface-area ratio of the subdomain owned by everymore » processor. We also provide various numerical results to demonstrate the versatility and scalability of the parallel algorithm.« less

MAFIA Version 4

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weiland, T.; Bartsch, M.; Becker, U.

1997-02-01

MAFIA Version 4.0 is an almost completely new version of the general purpose electromagnetic simulator known since 13 years. The major improvements concern the new graphical user interface based on state of the art technology as well as a series of new solvers for new physics problems. MAFIA now covers heat distribution, electro-quasistatics, S-parameters in frequency domain, particle beam tracking in linear accelerators, acoustics and even elastodynamics. The solvers that were available in earlier versions have also been improved and/or extended, as for example the complex eigenmode solver, the 2D--3D coupled PIC solvers. Time domain solvers have new waveguide boundarymore » conditions with an extremely low reflection even near cutoff frequency, concentrated elements are available as well as a variety of signal processing options. Probably the most valuable addition are recursive sub-grid capabilities that enable modeling of very small details in large structures. {copyright} {ital 1997 American Institute of Physics.}« less

MAFIA Version 4

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weiland, T.; Bartsch, M.; Becker, U.

1997-02-01

MAFIA Version 4.0 is an almost completely new version of the general purpose electromagnetic simulator known since 13 years. The major improvements concern the new graphical user interface based on state of the art technology as well as a series of new solvers for new physics problems. MAFIA now covers heat distribution, electro-quasistatics, S-parameters in frequency domain, particle beam tracking in linear accelerators, acoustics and even elastodynamics. The solvers that were available in earlier versions have also been improved and/or extended, as for example the complex eigenmode solver, the 2D-3D coupled PIC solvers. Time domain solvers have new waveguide boundarymore » conditions with an extremely low reflection even near cutoff frequency, concentrated elements are available as well as a variety of signal processing options. Probably the most valuable addition are recursive sub-grid capabilities that enable modeling of very small details in large structures.« less

Efficient numerical calculation of MHD equilibria with magnetic islands, with particular application to saturated neoclassical tearing modes

NASA Astrophysics Data System (ADS)

Raburn, Daniel Louis

We have developed a preconditioned, globalized Jacobian-free Newton-Krylov (JFNK) solver for calculating equilibria with magnetic islands. The solver has been developed in conjunction with the Princeton Iterative Equilibrium Solver (PIES) and includes two notable enhancements over a traditional JFNK scheme: (1) globalization of the algorithm by a sophisticated backtracking scheme, which optimizes between the Newton and steepest-descent directions; and, (2) adaptive preconditioning, wherein information regarding the system Jacobian is reused between Newton iterations to form a preconditioner for our GMRES-like linear solver. We have developed a formulation for calculating saturated neoclassical tearing modes (NTMs) which accounts for the incomplete loss of a bootstrap current due to gradients of multiple physical quantities. We have applied the coupled PIES-JFNK solver to calculate saturated island widths on several shots from the Tokamak Fusion Test Reactor (TFTR) and have found reasonable agreement with experimental measurement.

Applications of multigrid software in the atmospheric sciences

NASA Technical Reports Server (NTRS)

Adams, J.; Garcia, R.; Gross, B.; Hack, J.; Haidvogel, D.; Pizzo, V.

1992-01-01

Elliptic partial differential equations from different areas in the atmospheric sciences are efficiently and easily solved utilizing the multigrid software package named MUDPACK. It is demonstrated that the multigrid method is more efficient than other commonly employed techniques, such as Gaussian elimination and fixed-grid relaxation. The efficiency relative to other techniques, both in terms of storage requirement and computational time, increases quickly with grid size.

Applications of Space-Filling-Curves to Cartesian Methods for CFD

NASA Technical Reports Server (NTRS)

Aftosmis, M. J.; Murman, S. M.; Berger, M. J.

2003-01-01

This paper presents a variety of novel uses of space-filling-curves (SFCs) for Cartesian mesh methods in CFD. While these techniques will be demonstrated using non-body-fitted Cartesian meshes, many are applicable on general body-fitted meshes-both structured and unstructured. We demonstrate the use of single theta(N log N) SFC-based reordering to produce single-pass (theta(N)) algorithms for mesh partitioning, multigrid coarsening, and inter-mesh interpolation. The intermesh interpolation operator has many practical applications including warm starts on modified geometry, or as an inter-grid transfer operator on remeshed regions in moving-body simulations Exploiting the compact construction of these operators, we further show that these algorithms are highly amenable to parallelization. Examples using the SFC-based mesh partitioner show nearly linear speedup to 640 CPUs even when using multigrid as a smoother. Partition statistics are presented showing that the SFC partitions are, on-average, within 15% of ideal even with only around 50,000 cells in each sub-domain. The inter-mesh interpolation operator also has linear asymptotic complexity and can be used to map a solution with N unknowns to another mesh with M unknowns with theta(M + N) operations. This capability is demonstrated both on moving-body simulations and in mapping solutions to perturbed meshes for control surface deflection or finite-difference-based gradient design methods.

Preconditioned conjugate gradient wave-front reconstructors for multiconjugate adaptive optics.

PubMed

Gilles, Luc; Ellerbroek, Brent L; Vogel, Curtis R

2003-09-10

Multiconjugate adaptive optics (MCAO) systems with 10(4)-10(5) degrees of freedom have been proposed for future giant telescopes. Using standard matrix methods to compute, optimize, and implement wavefront control algorithms for these systems is impractical, since the number of calculations required to compute and apply the reconstruction matrix scales respectively with the cube and the square of the number of adaptive optics degrees of freedom. We develop scalable open-loop iterative sparse matrix implementations of minimum variance wave-front reconstruction for telescope diameters up to 32 m with more than 10(4) actuators. The basic approach is the preconditioned conjugate gradient method with an efficient preconditioner, whose block structure is defined by the atmospheric turbulent layers very much like the layer-oriented MCAO algorithms of current interest. Two cost-effective preconditioners are investigated: a multigrid solver and a simpler block symmetric Gauss-Seidel (BSGS) sweep. Both options require off-line sparse Cholesky factorizations of the diagonal blocks of the matrix system. The cost to precompute these factors scales approximately as the three-halves power of the number of estimated phase grid points per atmospheric layer, and their average update rate is typically of the order of 10(-2) Hz, i.e., 4-5 orders of magnitude lower than the typical 10(3) Hz temporal sampling rate. All other computations scale almost linearly with the total number of estimated phase grid points. We present numerical simulation results to illustrate algorithm convergence. Convergence rates of both preconditioners are similar, regardless of measurement noise level, indicating that the layer-oriented BSGS sweep is as effective as the more elaborated multiresolution preconditioner.

A Pseudo-Temporal Multi-Grid Relaxation Scheme for Solving the Parabolized Navier-Stokes Equations

NASA Technical Reports Server (NTRS)

White, J. A.; Morrison, J. H.

1999-01-01

A multi-grid, flux-difference-split, finite-volume code, VULCAN, is presented for solving the elliptic and parabolized form of the equations governing three-dimensional, turbulent, calorically perfect and non-equilibrium chemically reacting flows. The space marching algorithms developed to improve convergence rate and or reduce computational cost are emphasized. The algorithms presented are extensions to the class of implicit pseudo-time iterative, upwind space-marching schemes. A full approximate storage, full multi-grid scheme is also described which is used to accelerate the convergence of a Gauss-Seidel relaxation method. The multi-grid algorithm is shown to significantly improve convergence on high aspect ratio grids.

Applying EXCEL Solver to a watershed management goal-programming problem

Treesearch

J. E. de Steiguer

2000-01-01

This article demonstrates the application of EXCEL® spreadsheet linear programming (LP) solver to a watershed management multiple use goal programming (GP) problem. The data used to demonstrate the application are from a published study for a watershed in northern Colorado. GP has been used by natural resource managers for many years. However, the GP solution by means...

An Optimized Multicolor Point-Implicit Solver for Unstructured Grid Applications on Graphics Processing Units

NASA Technical Reports Server (NTRS)

Zubair, Mohammad; Nielsen, Eric; Luitjens, Justin; Hammond, Dana

2016-01-01

In the field of computational fluid dynamics, the Navier-Stokes equations are often solved using an unstructuredgrid approach to accommodate geometric complexity. Implicit solution methodologies for such spatial discretizations generally require frequent solution of large tightly-coupled systems of block-sparse linear equations. The multicolor point-implicit solver used in the current work typically requires a significant fraction of the overall application run time. In this work, an efficient implementation of the solver for graphics processing units is proposed. Several factors present unique challenges to achieving an efficient implementation in this environment. These include the variable amount of parallelism available in different kernel calls, indirect memory access patterns, low arithmetic intensity, and the requirement to support variable block sizes. In this work, the solver is reformulated to use standard sparse and dense Basic Linear Algebra Subprograms (BLAS) functions. However, numerical experiments show that the performance of the BLAS functions available in existing CUDA libraries is suboptimal for matrices representative of those encountered in actual simulations. Instead, optimized versions of these functions are developed. Depending on block size, the new implementations show performance gains of up to 7x over the existing CUDA library functions.

New algorithms for field-theoretic block copolymer simulations: Progress on using adaptive-mesh refinement and sparse matrix solvers in SCFT calculations

NASA Astrophysics Data System (ADS)

Sides, Scott; Jamroz, Ben; Crockett, Robert; Pletzer, Alexander

2012-02-01

Self-consistent field theory (SCFT) for dense polymer melts has been highly successful in describing complex morphologies in block copolymers. Field-theoretic simulations such as these are able to access large length and time scales that are difficult or impossible for particle-based simulations such as molecular dynamics. The modified diffusion equations that arise as a consequence of the coarse-graining procedure in the SCF theory can be efficiently solved with a pseudo-spectral (PS) method that uses fast-Fourier transforms on uniform Cartesian grids. However, PS methods can be difficult to apply in many block copolymer SCFT simulations (eg. confinement, interface adsorption) in which small spatial regions might require finer resolution than most of the simulation grid. Progress on using new solver algorithms to address these problems will be presented. The Tech-X Chompst project aims at marrying the best of adaptive mesh refinement with linear matrix solver algorithms. The Tech-X code PolySwift++ is an SCFT simulation platform that leverages ongoing development in coupling Chombo, a package for solving PDEs via block-structured AMR calculations and embedded boundaries, with PETSc, a toolkit that includes a large assortment of sparse linear solvers.

On numerical instabilities of Godunov-type schemes for strong shocks

NASA Astrophysics Data System (ADS)

Xie, Wenjia; Li, Wei; Li, Hua; Tian, Zhengyu; Pan, Sha

2017-12-01

It is well known that low diffusion Riemann solvers with minimal smearing on contact and shear waves are vulnerable to shock instability problems, including the carbuncle phenomenon. In the present study, we concentrate on exploring where the instability grows out and how the dissipation inherent in Riemann solvers affects the unstable behaviors. With the help of numerical experiments and a linearized analysis method, it has been found that the shock instability is strongly related to the unstable modes of intermediate states inside the shock structure. The consistency of mass flux across the normal shock is needed for a Riemann solver to capture strong shocks stably. The famous carbuncle phenomenon is interpreted as the consequence of the inconsistency of mass flux across the normal shock for a low diffusion Riemann solver. Based on the results of numerical experiments and the linearized analysis, a robust Godunov-type scheme with a simple cure for the shock instability is suggested. With only the dissipation corresponding to shear waves introduced in the vicinity of strong shocks, the instability problem is circumvented. Numerical results of several carefully chosen strong shock wave problems are investigated to demonstrate the robustness of the proposed scheme.

Numerical Evaluation of P-Multigrid Method for the Solution of Discontinuous Galerkin Discretizations of Diffusive Equations

NASA Technical Reports Server (NTRS)

Atkins, H. L.; Helenbrook, B. T.

2005-01-01

This paper describes numerical experiments with P-multigrid to corroborate analysis, validate the present implementation, and to examine issues that arise in the implementations of the various combinations of relaxation schemes, discretizations and P-multigrid methods. The two approaches to implement P-multigrid presented here are equivalent for most high-order discretization methods such as spectral element, SUPG, and discontinuous Galerkin applied to advection; however it is discovered that the approach that mimics the common geometric multigrid implementation is less robust, and frequently unstable when applied to discontinuous Galerkin discretizations of di usion. Gauss-Seidel relaxation converges 40% faster than block Jacobi, as predicted by analysis; however, the implementation of Gauss-Seidel is considerably more expensive that one would expect because gradients in most neighboring elements must be updated. A compromise quasi Gauss-Seidel relaxation method that evaluates the gradient in each element twice per iteration converges at rates similar to those predicted for true Gauss-Seidel.

A multigrid nonoscillatory method for computing high speed flows

NASA Technical Reports Server (NTRS)

Li, C. P.; Shieh, T. H.

1993-01-01

A multigrid method using different smoothers has been developed to solve the Euler equations discretized by a nonoscillatory scheme up to fourth order accuracy. The best smoothing property is provided by a five-stage Runge-Kutta technique with optimized coefficients, yet the most efficient smoother is a backward Euler technique in factored and diagonalized form. The singlegrid solution for a hypersonic, viscous conic flow is in excellent agreement with the solution obtained by the third order MUSCL and Roe's method. Mach 8 inviscid flow computations for a complete entry probe have shown that the accuracy is at least as good as the symmetric TVD scheme of Yee and Harten. The implicit multigrid method is four times more efficient than the explicit multigrid technique and 3.5 times faster than the single-grid implicit technique. For a Mach 8.7 inviscid flow over a blunt delta wing at 30 deg incidence, the CPU reduction factor from the three-level multigrid computation is 2.2 on a grid of 37 x 41 x 73 nodes.

Solving Upwind-Biased Discretizations: Defect-Correction Iterations

NASA Technical Reports Server (NTRS)

Diskin, Boris; Thomas, James L.

1999-01-01

This paper considers defect-correction solvers for a second order upwind-biased discretization of the 2D convection equation. The following important features are reported: (1) The asymptotic convergence rate is about 0.5 per defect-correction iteration. (2) If the operators involved in defect-correction iterations have different approximation order, then the initial convergence rates may be very slow. The number of iterations required to get into the asymptotic convergence regime might grow on fine grids as a negative power of h. In the case of a second order target operator and a first order driver operator, this number of iterations is roughly proportional to h-1/3. (3) If both the operators have the second approximation order, the defect-correction solver demonstrates the asymptotic convergence rate after three iterations at most. The same three iterations are required to converge algebraic error below the truncation error level. A novel comprehensive half-space Fourier mode analysis (which, by the way, can take into account the influence of discretized outflow boundary conditions as well) for the defect-correction method is developed. This analysis explains many phenomena observed in solving non-elliptic equations and provides a close prediction of the actual solution behavior. It predicts the convergence rate for each iteration and the asymptotic convergence rate. As a result of this analysis, a new very efficient adaptive multigrid algorithm solving the discrete problem to within a given accuracy is proposed. Numerical simulations confirm the accuracy of the analysis and the efficiency of the proposed algorithm. The results of the numerical tests are reported.

Fluid Simulation in the Movies: Navier and Stokes Must Be Circulating in Their Graves

NASA Astrophysics Data System (ADS)

Tessendorf, Jerry

2010-11-01

Fluid simulations based on the Incompressible Navier-Stokes equations are commonplace computer graphics tools in the visual effects industry. These simulations mostly come from custom C++ code written by the visual effects companies. Their significant impact in films was recognized in 2008 with Academy Awards to four visual effects companies for their technical achievement. However artists are not fluid dynamicists, and fluid dynamics simulations are expensive to use in a deadline-driven production environment. As a result, the simulation algorithms are modified to limit the computational resources, adapt them to production workflow, and to respect the client's vision of the film plot. Eulerian solvers on fixed rectangular grids use a mix of momentum solvers, including Semi-Lagrangian, FLIP, and QUICK. Incompressibility is enforced with FFT, Conjugate Gradient, and Multigrid methods. For liquids, a levelset field tracks the free surface. Smooth Particle Hydrodynamics is also used, and is part of a hybrid Eulerian-SPH liquid simulator. Artists use all of them in a mix and match fashion to control the appearance of the simulation. Specially designed forces and boundary conditions control the flow. The simulation can be an input to artistically driven procedural particle simulations that enhance the flow with more detail and drama. Post-simulation processing increases the visual detail beyond the grid resolution. Ultimately, iterative simulation methods that fit naturally in the production workflow are extremely desirable but not yet successful. Results from some efforts for iterative methods are shown, and other approaches motivated by the history of production are proposed.

Diagnosis of Enzyme Inhibition Using Excel Solver: A Combined Dry and Wet Laboratory Exercise

ERIC Educational Resources Information Center

Dias, Albino A.; Pinto, Paula A.; Fraga, Irene; Bezerra, Rui M. F.

2014-01-01

In enzyme kinetic studies, linear transformations of the Michaelis-Menten equation, such as the Lineweaver-Burk double-reciprocal transformation, present some constraints. The linear transformation distorts the experimental error and the relationship between "x" and "y" axes; consequently, linear regression of transformed data…

Benchmarking Defmod, an open source FEM code for modeling episodic fault rupture

NASA Astrophysics Data System (ADS)

Meng, Chunfang

2017-03-01

We present Defmod, an open source (linear) finite element code that enables us to efficiently model the crustal deformation due to (quasi-)static and dynamic loadings, poroelastic flow, viscoelastic flow and frictional fault slip. Ali (2015) provides the original code introducing an implicit solver for (quasi-)static problem, and an explicit solver for dynamic problem. The fault constraint is implemented via Lagrange Multiplier. Meng (2015) combines these two solvers into a hybrid solver that uses failure criteria and friction laws to adaptively switch between the (quasi-)static state and dynamic state. The code is capable of modeling episodic fault rupture driven by quasi-static loadings, e.g. due to reservoir fluid withdraw or injection. Here, we focus on benchmarking the Defmod results against some establish results.

Improving the energy efficiency of sparse linear system solvers on multicore and manycore systems.

PubMed

Anzt, H; Quintana-Ortí, E S

2014-06-28

While most recent breakthroughs in scientific research rely on complex simulations carried out in large-scale supercomputers, the power draft and energy spent for this purpose is increasingly becoming a limiting factor to this trend. In this paper, we provide an overview of the current status in energy-efficient scientific computing by reviewing different technologies used to monitor power draft as well as power- and energy-saving mechanisms available in commodity hardware. For the particular domain of sparse linear algebra, we analyse the energy efficiency of a broad collection of hardware architectures and investigate how algorithmic and implementation modifications can improve the energy performance of sparse linear system solvers, without negatively impacting their performance. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lott, P. Aaron; Woodward, Carol S.; Evans, Katherine J.

Performing accurate and efficient numerical simulation of global atmospheric climate models is challenging due to the disparate length and time scales over which physical processes interact. Implicit solvers enable the physical system to be integrated with a time step commensurate with processes being studied. The dominant cost of an implicit time step is the ancillary linear system solves, so we have developed a preconditioner aimed at improving the efficiency of these linear system solves. Our preconditioner is based on an approximate block factorization of the linearized shallow-water equations and has been implemented within the spectral element dynamical core within themore » Community Atmospheric Model (CAM-SE). Furthermore, in this paper we discuss the development and scalability of the preconditioner for a suite of test cases with the implicit shallow-water solver within CAM-SE.« less

Recent Development of Multigrid Algorithms for Mixed and Noncomforming Methods for Second Order Elliptical Problems

NASA Technical Reports Server (NTRS)

Chen, Zhangxin; Ewing, Richard E.

1996-01-01

Multigrid algorithms for nonconforming and mixed finite element methods for second order elliptic problems on triangular and rectangular finite elements are considered. The construction of several coarse-to-fine intergrid transfer operators for nonconforming multigrid algorithms is discussed. The equivalence between the nonconforming and mixed finite element methods with and without projection of the coefficient of the differential problems into finite element spaces is described.

Stability analysis of multigrid acceleration methods for the solution of partial differential equations

NASA Technical Reports Server (NTRS)

Fay, John F.

1990-01-01

A calculation is made of the stability of various relaxation schemes for the numerical solution of partial differential equations. A multigrid acceleration method is introduced, and its effects on stability are explored. A detailed stability analysis of a simple case is carried out and verified by numerical experiment. It is shown that the use of multigrids can speed convergence by several orders of magnitude without adversely affecting stability.

Segmental Refinement: A Multigrid Technique for Data Locality

DOE PAGES

Adams, Mark F.; Brown, Jed; Knepley, Matt; ...

2016-08-04

In this paper, we investigate a domain decomposed multigrid technique, termed segmental refinement, for solving general nonlinear elliptic boundary value problems. We extend the method first proposed in 1994 by analytically and experimentally investigating its complexity. We confirm that communication of traditional parallel multigrid is eliminated on fine grids, with modest amounts of extra work and storage, while maintaining the asymptotic exactness of full multigrid. We observe an accuracy dependence on the segmental refinement subdomain size, which was not considered in the original analysis. Finally, we present a communication complexity analysis that quantifies the communication costs ameliorated by segmental refinementmore » and report performance results with up to 64K cores on a Cray XC30.« less

Linear instabilities near the DIII-D edge simulated in fluid models

NASA Astrophysics Data System (ADS)

Bass, Eric; Holland, Christopher

2017-10-01

The linear instability spectrum is reported near the DIII-D edge (within the separatrix) for L-mode and H-mode shots using the new eigenvalue solver FluTES (Fluid Toroidal Eigenvalue Solver). FluTES circumvents difficulties with convergence to clean linear eigenmodes (required for diagnosis of nonlinear simulations in codes such as BOUT++) often encountered with fluid initial-value solvers. FluTES is well-verified in analytic cases and against a BOUT++/ELITE benchmark toroidal case. We report results for both a 3-field, one-fluid model (the well-known ``elm-pb'' model) and a 5-field, two-fluid model. For the peeling-ballooning-dominated H-mode, the two solutions are qualitatively the same. In the driftwave-dominated L-mode edge, only the two-fluid solution gives robust instabilities which occur primarily at n > 50 . FluTES is optimized for this regime (near-flutelike limit, toroidally spectral). Cross-separatrix, coupled fluid and drift instabilities may play a role in explaining the gyrokinetic L-mode edge transport shortfall. Extension of FluTES into the open-field-line region is underway. Prepared by UCSD under Contract Number DE-FG02-06ER54871.

Multilevel Methods for Elliptic Problems with Highly Varying Coefficients on Nonaligned Coarse Grids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scheichl, Robert; Vassilevski, Panayot S.; Zikatanov, Ludmil T.

2012-06-21

We generalize the analysis of classical multigrid and two-level overlapping Schwarz methods for 2nd order elliptic boundary value problems to problems with large discontinuities in the coefficients that are not resolved by the coarse grids or the subdomain partition. The theoretical results provide a recipe for designing hierarchies of standard piecewise linear coarse spaces such that the multigrid convergence rate and the condition number of the Schwarz preconditioned system do not depend on the coefficient variation or on any mesh parameters. One assumption we have to make is that the coarse grids are sufficiently fine in the vicinity of crossmore » points or where regions with large diffusion coefficients are separated by a narrow region where the coefficient is small. We do not need to align them with possible discontinuities in the coefficients. The proofs make use of novel stable splittings based on weighted quasi-interpolants and weighted Poincaré-type inequalities. Finally, numerical experiments are included that illustrate the sharpness of the theoretical bounds and the necessity of the technical assumptions.« less

Finite volume multigrid method of the planar contraction flow of a viscoelastic fluid

NASA Astrophysics Data System (ADS)

Moatssime, H. Al; Esselaoui, D.; Hakim, A.; Raghay, S.

2001-08-01

This paper reports on a numerical algorithm for the steady flow of viscoelastic fluid. The conservative and constitutive equations are solved using the finite volume method (FVM) with a hybrid scheme for the velocities and first-order upwind approximation for the viscoelastic stress. A non-uniform staggered grid system is used. The iterative SIMPLE algorithm is employed to relax the coupled momentum and continuity equations. The non-linear algebraic equations over the flow domain are solved iteratively by the symmetrical coupled Gauss-Seidel (SCGS) method. In both, the full approximation storage (FAS) multigrid algorithm is used. An Oldroyd-B fluid model was selected for the calculation. Results are reported for planar 4:1 abrupt contraction at various Weissenberg numbers. The solutions are found to be stable and smooth. The solutions show that at high Weissenberg number the domain must be long enough. The convergence of the method has been verified with grid refinement. All the calculations have been performed on a PC equipped with a Pentium III processor at 550 MHz. Copyright

Optimization of refractive liquid crystal lenses using an efficient multigrid simulation.

PubMed

Milton, Harry; Brimicombe, Paul; Morgan, Philip; Gleeson, Helen; Clamp, John

2012-05-07

A multigrid computational model has been developed to assess the performance of refractive liquid crystal lenses, which is up to 40 times faster than previous techniques. Using this model, the optimum geometries producing an ideal parabolic voltage distribution were deduced for refractive liquid crystal lenses with diameters from 1 to 9 mm. The ratio of insulation thickness to lens diameter was determined to be 1:2 for small diameter lenses, tending to 1:3 for larger lenses. The model is used to propose a new method of lens operation with lower operating voltages needed to induce specific optical powers. The operating voltages are calculated for the induction of optical powers between + 1.00 D and + 3.00 D in a 3 mm diameter lens, with the speed of the simulation facilitating the optimization of the refractive index profile. We demonstrate that the relationship between additional applied voltage and optical power is approximately linear for optical powers under + 3.00 D. The versatility of the computational simulation has also been demonstrated by modeling of in-plane electrode liquid crystal devices.

Comparison of Integer Programming (IP) Solvers for Automated Test Assembly (ATA). Research Report. ETS RR-15-05

ERIC Educational Resources Information Center

Donoghue, John R.

2015-01-01

At the heart of van der Linden's approach to automated test assembly (ATA) is a linear programming/integer programming (LP/IP) problem. A variety of IP solvers are available, ranging in cost from free to hundreds of thousands of dollars. In this paper, I compare several approaches to solving the underlying IP problem. These approaches range from…

Distributed Memory Parallel Computing with SEAWAT

NASA Astrophysics Data System (ADS)

Verkaik, J.; Huizer, S.; van Engelen, J.; Oude Essink, G.; Ram, R.; Vuik, K.

2017-12-01

Fresh groundwater reserves in coastal aquifers are threatened by sea-level rise, extreme weather conditions, increasing urbanization and associated groundwater extraction rates. To counteract these threats, accurate high-resolution numerical models are required to optimize the management of these precious reserves. The major model drawbacks are long run times and large memory requirements, limiting the predictive power of these models. Distributed memory parallel computing is an efficient technique for reducing run times and memory requirements, where the problem is divided over multiple processor cores. A new Parallel Krylov Solver (PKS) for SEAWAT is presented. PKS has recently been applied to MODFLOW and includes Conjugate Gradient (CG) and Biconjugate Gradient Stabilized (BiCGSTAB) linear accelerators. Both accelerators are preconditioned by an overlapping additive Schwarz preconditioner in a way that: a) subdomains are partitioned using Recursive Coordinate Bisection (RCB) load balancing, b) each subdomain uses local memory only and communicates with other subdomains by Message Passing Interface (MPI) within the linear accelerator, c) it is fully integrated in SEAWAT. Within SEAWAT, the PKS-CG solver replaces the Preconditioned Conjugate Gradient (PCG) solver for solving the variable-density groundwater flow equation and the PKS-BiCGSTAB solver replaces the Generalized Conjugate Gradient (GCG) solver for solving the advection-diffusion equation. PKS supports the third-order Total Variation Diminishing (TVD) scheme for computing advection. Benchmarks were performed on the Dutch national supercomputer (https://userinfo.surfsara.nl/systems/cartesius) using up to 128 cores, for a synthetic 3D Henry model (100 million cells) and the real-life Sand Engine model ( 10 million cells). The Sand Engine model was used to investigate the potential effect of the long-term morphological evolution of a large sand replenishment and climate change on fresh groundwater resources. Speed-ups up to 40 were obtained with the new PKS solver.

A Block Preconditioned Conjugate Gradient-type Iterative Solver for Linear Systems in Thermal Reservoir Simulation

NASA Astrophysics Data System (ADS)

Betté, Srinivas; Diaz, Julio C.; Jines, William R.; Steihaug, Trond

1986-11-01

A preconditioned residual-norm-reducing iterative solver is described. Based on a truncated form of the generalized-conjugate-gradient method for nonsymmetric systems of linear equations, the iterative scheme is very effective for linear systems generated in reservoir simulation of thermal oil recovery processes. As a consequence of employing an adaptive implicit finite-difference scheme to solve the model equations, the number of variables per cell-block varies dynamically over the grid. The data structure allows for 5- and 9-point operators in the areal model, 5-point in the cross-sectional model, and 7- and 11-point operators in the three-dimensional model. Block-diagonal-scaling of the linear system, done prior to iteration, is found to have a significant effect on the rate of convergence. Block-incomplete-LU-decomposition (BILU) and block-symmetric-Gauss-Seidel (BSGS) methods, which result in no fill-in, are used as preconditioning procedures. A full factorization is done on the well terms, and the cells are ordered in a manner which minimizes the fill-in in the well-column due to this factorization. The convergence criterion for the linear (inner) iteration is linked to that of the nonlinear (Newton) iteration, thereby enhancing the efficiency of the computation. The algorithm, with both BILU and BSGS preconditioners, is evaluated in the context of a variety of thermal simulation problems. The solver is robust and can be used with little or no user intervention.

A coarse-grid projection method for accelerating incompressible flow computations

NASA Astrophysics Data System (ADS)

San, Omer; Staples, Anne E.

2013-01-01

We present a coarse-grid projection (CGP) method for accelerating incompressible flow computations, which is applicable to methods involving Poisson equations as incompressibility constraints. The CGP methodology is a modular approach that facilitates data transfer with simple interpolations and uses black-box solvers for the Poisson and advection-diffusion equations in the flow solver. After solving the Poisson equation on a coarsened grid, an interpolation scheme is used to obtain the fine data for subsequent time stepping on the full grid. A particular version of the method is applied here to the vorticity-stream function, primitive variable, and vorticity-velocity formulations of incompressible Navier-Stokes equations. We compute several benchmark flow problems on two-dimensional Cartesian and non-Cartesian grids, as well as a three-dimensional flow problem. The method is found to accelerate these computations while retaining a level of accuracy close to that of the fine resolution field, which is significantly better than the accuracy obtained for a similar computation performed solely using a coarse grid. A linear acceleration rate is obtained for all the cases we consider due to the linear-cost elliptic Poisson solver used, with reduction factors in computational time between 2 and 42. The computational savings are larger when a suboptimal Poisson solver is used. We also find that the computational savings increase with increasing distortion ratio on non-Cartesian grids, making the CGP method a useful tool for accelerating generalized curvilinear incompressible flow solvers.

Parallel-vector computation for linear structural analysis and non-linear unconstrained optimization problems

NASA Technical Reports Server (NTRS)

Nguyen, D. T.; Al-Nasra, M.; Zhang, Y.; Baddourah, M. A.; Agarwal, T. K.; Storaasli, O. O.; Carmona, E. A.

1991-01-01

Several parallel-vector computational improvements to the unconstrained optimization procedure are described which speed up the structural analysis-synthesis process. A fast parallel-vector Choleski-based equation solver, pvsolve, is incorporated into the well-known SAP-4 general-purpose finite-element code. The new code, denoted PV-SAP, is tested for static structural analysis. Initial results on a four processor CRAY 2 show that using pvsolve reduces the equation solution time by a factor of 14-16 over the original SAP-4 code. In addition, parallel-vector procedures for the Golden Block Search technique and the BFGS method are developed and tested for nonlinear unconstrained optimization. A parallel version of an iterative solver and the pvsolve direct solver are incorporated into the BFGS method. Preliminary results on nonlinear unconstrained optimization test problems, using pvsolve in the analysis, show excellent parallel-vector performance indicating that these parallel-vector algorithms can be used in a new generation of finite-element based structural design/analysis-synthesis codes.

A High Order, Locally-Adaptive Method for the Navier-Stokes Equations

NASA Astrophysics Data System (ADS)

Chan, Daniel

1998-11-01

I have extended the FOSLS method of Cai, Manteuffel and McCormick (1997) and implemented it within the framework of a spectral element formulation using the Legendre polynomial basis function. The FOSLS method solves the Navier-Stokes equations as a system of coupled first-order equations and provides the ellipticity that is needed for fast iterative matrix solvers like multigrid to operate efficiently. Each element is treated as an object and its properties are self-contained. Only C^0 continuity is imposed across element interfaces; this design allows local grid refinement and coarsening without the burden of having an elaborate data structure, since only information along element boundaries is needed. With the FORTRAN 90 programming environment, I can maintain a high computational efficiency by employing a hybrid parallel processing model. The OpenMP directives provides parallelism in the loop level which is executed in a shared-memory SMP and the MPI protocol allows the distribution of elements to a cluster of SMP's connected via a commodity network. This talk will provide timing results and a comparison with a second order finite difference method.

The implementation of an aeronautical CFD flow code onto distributed memory parallel systems

NASA Astrophysics Data System (ADS)

Ierotheou, C. S.; Forsey, C. R.; Leatham, M.

2000-04-01

The parallelization of an industrially important in-house computational fluid dynamics (CFD) code for calculating the airflow over complex aircraft configurations using the Euler or Navier-Stokes equations is presented. The code discussed is the flow solver module of the SAUNA CFD suite. This suite uses a novel grid system that may include block-structured hexahedral or pyramidal grids, unstructured tetrahedral grids or a hybrid combination of both. To assist in the rapid convergence to a solution, a number of convergence acceleration techniques are employed including implicit residual smoothing and a multigrid full approximation storage scheme (FAS). Key features of the parallelization approach are the use of domain decomposition and encapsulated message passing to enable the execution in parallel using a single programme multiple data (SPMD) paradigm. In the case where a hybrid grid is used, a unified grid partitioning scheme is employed to define the decomposition of the mesh. The parallel code has been tested using both structured and hybrid grids on a number of different distributed memory parallel systems and is now routinely used to perform industrial scale aeronautical simulations. Copyright

LBMD : a layer-based mesh data structure tailored for generic API infrastructures.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ebeida, Mohamed S.; Knupp, Patrick Michael

2010-11-01

A new mesh data structure is introduced for the purpose of mesh processing in Application Programming Interface (API) infrastructures. This data structure utilizes a reduced mesh representation to increase its ability to handle significantly larger meshes compared to full mesh representation. In spite of the reduced representation, each mesh entity (vertex, edge, face, and region) is represented using a unique handle, with no extra storage cost, which is a crucial requirement in most API libraries. The concept of mesh layers makes the data structure more flexible for mesh generation and mesh modification operations. This flexibility can have a favorable impactmore » in solver based queries of finite volume and multigrid methods. The capabilities of LBMD make it even more attractive for parallel implementations using Message Passing Interface (MPI) or Graphics Processing Units (GPUs). The data structure is associated with a new classification method to relate mesh entities to their corresponding geometrical entities. The classification technique stores the related information at the node level without introducing any ambiguities. Several examples are presented to illustrate the strength of this new data structure.« less

Lagrangian Approach to Jet Mixing and Optimization of the Reactor for Production of Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Povitsky, Alex; Salas, Manuel D.

2001-01-01

This study was motivated by an attempt to optimize the High Pressure carbon oxide (HiPco) process for the production of carbon nanotubes from gaseous carbon oxide, The goal is to achieve rapid and uniform heating of catalyst particles by an optimal arrangement of jets. A mixed Eulerian and Lagrangian approach is implemented to track the temperature of catalyst particles along their trajectories as a function of time. The FLUENT CFD software with second-order upwind approximation of convective terms and an algebraic multigrid-based solver is used. The poor performance of the original reactor configuration is explained in terms of features of particle trajectories. The trajectories most exposed to the hot jets appear to be the most problematic for heating because they either bend towards the cold jet interior or rotate upwind of the mixing zone. To reduce undesirable slow and/or oscillatory heating of catalyst particles, a reactor configuration with three central jets is proposed and the optimal location of the central and peripheral nozzles is determined.

Multigrid methods for bifurcation problems: The self adjoint case

NASA Technical Reports Server (NTRS)

Taasan, Shlomo

1987-01-01

This paper deals with multigrid methods for computational problems that arise in the theory of bifurcation and is restricted to the self adjoint case. The basic problem is to solve for arcs of solutions, a task that is done successfully with an arc length continuation method. Other important issues are, for example, detecting and locating singular points as part of the continuation process, switching branches at bifurcation points, etc. Multigrid methods have been applied to continuation problems. These methods work well at regular points and at limit points, while they may encounter difficulties in the vicinity of bifurcation points. A new continuation method that is very efficient also near bifurcation points is presented here. The other issues mentioned above are also treated very efficiently with appropriate multigrid algorithms. For example, it is shown that limit points and bifurcation points can be solved for directly by a multigrid algorithm. Moreover, the algorithms presented here solve the corresponding problems in just a few work units (about 10 or less), where a work unit is the work involved in one local relaxation on the finest grid.

Conduct of the International Multigrid Conference

NASA Technical Reports Server (NTRS)

Mccormick, S.

1984-01-01

The 1983 International Multigrid Conference was held at Colorado's Copper Mountain Ski Resort, April 5-8. It was organized jointly by the Institute for Computational Studies at Colorado State University, U.S.A., and the Gasellschaft fur Mathematik und Datenverarbeitung Bonn, F.R. Germany, and was sponsored by the Air Force Office of Sponsored Research and National Aeronautics and Space Administration Headquarters. The conference was attended by 80 scientists, divided by institution almost equally into private industry, research laboratories, and academia. Fifteen attendees came from countries other than the U.S.A. In addition to the fruitful discussions, the most significant factor of the conference was of course the lectures. The lecturers include most of the leaders in the field of multigrid research. The program offered a nice integrated blend of theory, numerical studies, basic research, and applications. Some of the new areas of research that have surfaced since the Koln-Porz conference include: the algebraic multigrid approach; multigrid treatment of Euler equations for inviscid fluid flow problems; 3-D problems; and the application of MG methods on vector and parallel computers.

Preconditioned conjugate-gradient methods for low-speed flow calculations

NASA Technical Reports Server (NTRS)

Ajmani, Kumud; Ng, Wing-Fai; Liou, Meng-Sing

1993-01-01

An investigation is conducted into the viability of using a generalized Conjugate Gradient-like method as an iterative solver to obtain steady-state solutions of very low-speed fluid flow problems. Low-speed flow at Mach 0.1 over a backward-facing step is chosen as a representative test problem. The unsteady form of the two dimensional, compressible Navier-Stokes equations is integrated in time using discrete time-steps. The Navier-Stokes equations are cast in an implicit, upwind finite-volume, flux split formulation. The new iterative solver is used to solve a linear system of equations at each step of the time-integration. Preconditioning techniques are used with the new solver to enhance the stability and convergence rate of the solver and are found to be critical to the overall success of the solver. A study of various preconditioners reveals that a preconditioner based on the Lower-Upper Successive Symmetric Over-Relaxation iterative scheme is more efficient than a preconditioner based on Incomplete L-U factorizations of the iteration matrix. The performance of the new preconditioned solver is compared with a conventional Line Gauss-Seidel Relaxation (LGSR) solver. Overall speed-up factors of 28 (in terms of global time-steps required to converge to a steady-state solution) and 20 (in terms of total CPU time on one processor of a CRAY-YMP) are found in favor of the new preconditioned solver, when compared with the LGSR solver.

Preconditioned Conjugate Gradient methods for low speed flow calculations

NASA Technical Reports Server (NTRS)

Ajmani, Kumud; Ng, Wing-Fai; Liou, Meng-Sing

1993-01-01

An investigation is conducted into the viability of using a generalized Conjugate Gradient-like method as an iterative solver to obtain steady-state solutions of very low-speed fluid flow problems. Low-speed flow at Mach 0.1 over a backward-facing step is chosen as a representative test problem. The unsteady form of the two dimensional, compressible Navier-Stokes equations are integrated in time using discrete time-steps. The Navier-Stokes equations are cast in an implicit, upwind finite-volume, flux split formulation. The new iterative solver is used to solve a linear system of equations at each step of the time-integration. Preconditioning techniques are used with the new solver to enhance the stability and the convergence rate of the solver and are found to be critical to the overall success of the solver. A study of various preconditioners reveals that a preconditioner based on the lower-upper (L-U)-successive symmetric over-relaxation iterative scheme is more efficient than a preconditioner based on incomplete L-U factorizations of the iteration matrix. The performance of the new preconditioned solver is compared with a conventional line Gauss-Seidel relaxation (LGSR) solver. Overall speed-up factors of 28 (in terms of global time-steps required to converge to a steady-state solution) and 20 (in terms of total CPU time on one processor of a CRAY-YMP) are found in favor of the new preconditioned solver, when compared with the LGSR solver.

Asymptotically and exactly energy balanced augmented flux-ADER schemes with application to hyperbolic conservation laws with geometric source terms

NASA Astrophysics Data System (ADS)

Navas-Montilla, A.; Murillo, J.

2016-07-01

In this work, an arbitrary order HLL-type numerical scheme is constructed using the flux-ADER methodology. The proposed scheme is based on an augmented Derivative Riemann solver that was used for the first time in Navas-Montilla and Murillo (2015) [1]. Such solver, hereafter referred to as Flux-Source (FS) solver, was conceived as a high order extension of the augmented Roe solver and led to the generation of a novel numerical scheme called AR-ADER scheme. Here, we provide a general definition of the FS solver independently of the Riemann solver used in it. Moreover, a simplified version of the solver, referred to as Linearized-Flux-Source (LFS) solver, is presented. This novel version of the FS solver allows to compute the solution without requiring reconstruction of derivatives of the fluxes, nevertheless some drawbacks are evidenced. In contrast to other previously defined Derivative Riemann solvers, the proposed FS and LFS solvers take into account the presence of the source term in the resolution of the Derivative Riemann Problem (DRP), which is of particular interest when dealing with geometric source terms. When applied to the shallow water equations, the proposed HLLS-ADER and AR-ADER schemes can be constructed to fulfill the exactly well-balanced property, showing that an arbitrary quadrature of the integral of the source inside the cell does not ensure energy balanced solutions. As a result of this work, energy balanced flux-ADER schemes that provide the exact solution for steady cases and that converge to the exact solution with arbitrary order for transient cases are constructed.

Multigrid-based reconstruction algorithm for quantitative photoacoustic tomography

PubMed Central

Li, Shengfu; Montcel, Bruno; Yuan, Zhen; Liu, Wanyu; Vray, Didier

2015-01-01

This paper proposes a multigrid inversion framework for quantitative photoacoustic tomography reconstruction. The forward model of optical fluence distribution and the inverse problem are solved at multiple resolutions. A fixed-point iteration scheme is formulated for each resolution and used as a cost function. The simulated and experimental results for quantitative photoacoustic tomography reconstruction show that the proposed multigrid inversion can dramatically reduce the required number of iterations for the optimization process without loss of reliability in the results. PMID:26203371

Multigrid solution of internal flows using unstructured solution adaptive meshes

NASA Technical Reports Server (NTRS)

Smith, Wayne A.; Blake, Kenneth R.

1992-01-01

This is the final report of the NASA Lewis SBIR Phase 2 Contract Number NAS3-25785, Multigrid Solution of Internal Flows Using Unstructured Solution Adaptive Meshes. The objective of this project, as described in the Statement of Work, is to develop and deliver to NASA a general three-dimensional Navier-Stokes code using unstructured solution-adaptive meshes for accuracy and multigrid techniques for convergence acceleration. The code will primarily be applied, but not necessarily limited, to high speed internal flows in turbomachinery.

Multistage Schemes with Multigrid for Euler and Navier-Strokes Equations: Components and Analysis

NASA Technical Reports Server (NTRS)

Swanson, R. C.; Turkel, Eli

1997-01-01

A class of explicit multistage time-stepping schemes with centered spatial differencing and multigrids are considered for the compressible Euler and Navier-Stokes equations. These schemes are the basis for a family of computer programs (flow codes with multigrid (FLOMG) series) currently used to solve a wide range of fluid dynamics problems, including internal and external flows. In this paper, the components of these multistage time-stepping schemes are defined, discussed, and in many cases analyzed to provide additional insight into their behavior. Special emphasis is given to numerical dissipation, stability of Runge-Kutta schemes, and the convergence acceleration techniques of multigrid and implicit residual smoothing. Both the Baldwin and Lomax algebraic equilibrium model and the Johnson and King one-half equation nonequilibrium model are used to establish turbulence closure. Implementation of these models is described.

Second order finite-difference ghost-point multigrid methods for elliptic problems with discontinuous coefficients on an arbitrary interface

NASA Astrophysics Data System (ADS)

Coco, Armando; Russo, Giovanni

2018-05-01

In this paper we propose a second-order accurate numerical method to solve elliptic problems with discontinuous coefficients (with general non-homogeneous jumps in the solution and its gradient) in 2D and 3D. The method consists of a finite-difference method on a Cartesian grid in which complex geometries (boundaries and interfaces) are embedded, and is second order accurate in the solution and the gradient itself. In order to avoid the drop in accuracy caused by the discontinuity of the coefficients across the interface, two numerical values are assigned on grid points that are close to the interface: a real value, that represents the numerical solution on that grid point, and a ghost value, that represents the numerical solution extrapolated from the other side of the interface, obtained by enforcing the assigned non-homogeneous jump conditions on the solution and its flux. The method is also extended to the case of matrix coefficient. The linear system arising from the discretization is solved by an efficient multigrid approach. Unlike the 1D case, grid points are not necessarily aligned with the normal derivative and therefore suitable stencils must be chosen to discretize interface conditions in order to achieve second order accuracy in the solution and its gradient. A proper treatment of the interface conditions will allow the multigrid to attain the optimal convergence factor, comparable with the one obtained by Local Fourier Analysis for rectangular domains. The method is robust enough to handle large jump in the coefficients: order of accuracy, monotonicity of the errors and good convergence factor are maintained by the scheme.

Quantifying the Energy Efficiency of Object Recognition and Optical Flow

DTIC Science & Technology

2014-03-28

other linear solvers, such as conjugate- gradient (CG), preconditioned conjugate-gradient (PCG), and red-black Gauss Seidel (RB). We have also... Seidel , and conjugate gradient solvers. We are interested in the energy it takes to get a given solution quality. In Figure 6, we plot the quality of...in terms of Joules. Conversely, our implementation of red-black Gauss Seidel proves to be very inefficient when we consider Joules instead of just

The U.S. Geological Survey Modular Ground-Water Model - PCGN: A Preconditioned Conjugate Gradient Solver with Improved Nonlinear Control

USGS Publications Warehouse

Naff, Richard L.; Banta, Edward R.

2008-01-01

The preconditioned conjugate gradient with improved nonlinear control (PCGN) package provides addi-tional means by which the solution of nonlinear ground-water flow problems can be controlled as compared to existing solver packages for MODFLOW. Picard iteration is used to solve nonlinear ground-water flow equations by iteratively solving a linear approximation of the nonlinear equations. The linear solution is provided by means of the preconditioned conjugate gradient algorithm where preconditioning is provided by the modi-fied incomplete Cholesky algorithm. The incomplete Cholesky scheme incorporates two levels of fill, 0 and 1, in which the pivots can be modified so that the row sums of the preconditioning matrix and the original matrix are approximately equal. A relaxation factor is used to implement the modified pivots, which determines the degree of modification allowed. The effects of fill level and degree of pivot modification are briefly explored by means of a synthetic, heterogeneous finite-difference matrix; results are reported in the final section of this report. The preconditioned conjugate gradient method is coupled with Picard iteration so as to efficiently solve the nonlinear equations associated with many ground-water flow problems. The description of this coupling of the linear solver with Picard iteration is a primary concern of this document.

A Numerical Method for Solving the 3D Unsteady Incompressible Navier-Stokes Equations in Curvilinear Domains with Complex Immersed Boundaries.

PubMed

Ge, Liang; Sotiropoulos, Fotis

2007-08-01

A novel numerical method is developed that integrates boundary-conforming grids with a sharp interface, immersed boundary methodology. The method is intended for simulating internal flows containing complex, moving immersed boundaries such as those encountered in several cardiovascular applications. The background domain (e.g the empty aorta) is discretized efficiently with a curvilinear boundary-fitted mesh while the complex moving immersed boundary (say a prosthetic heart valve) is treated with the sharp-interface, hybrid Cartesian/immersed-boundary approach of Gilmanov and Sotiropoulos [1]. To facilitate the implementation of this novel modeling paradigm in complex flow simulations, an accurate and efficient numerical method is developed for solving the unsteady, incompressible Navier-Stokes equations in generalized curvilinear coordinates. The method employs a novel, fully-curvilinear staggered grid discretization approach, which does not require either the explicit evaluation of the Christoffel symbols or the discretization of all three momentum equations at cell interfaces as done in previous formulations. The equations are integrated in time using an efficient, second-order accurate fractional step methodology coupled with a Jacobian-free, Newton-Krylov solver for the momentum equations and a GMRES solver enhanced with multigrid as preconditioner for the Poisson equation. Several numerical experiments are carried out on fine computational meshes to demonstrate the accuracy and efficiency of the proposed method for standard benchmark problems as well as for unsteady, pulsatile flow through a curved, pipe bend. To demonstrate the ability of the method to simulate flows with complex, moving immersed boundaries we apply it to calculate pulsatile, physiological flow through a mechanical, bileaflet heart valve mounted in a model straight aorta with an anatomical-like triple sinus.

A Numerical Method for Solving the 3D Unsteady Incompressible Navier-Stokes Equations in Curvilinear Domains with Complex Immersed Boundaries

PubMed Central

Ge, Liang; Sotiropoulos, Fotis

2008-01-01

A novel numerical method is developed that integrates boundary-conforming grids with a sharp interface, immersed boundary methodology. The method is intended for simulating internal flows containing complex, moving immersed boundaries such as those encountered in several cardiovascular applications. The background domain (e.g the empty aorta) is discretized efficiently with a curvilinear boundary-fitted mesh while the complex moving immersed boundary (say a prosthetic heart valve) is treated with the sharp-interface, hybrid Cartesian/immersed-boundary approach of Gilmanov and Sotiropoulos [1]. To facilitate the implementation of this novel modeling paradigm in complex flow simulations, an accurate and efficient numerical method is developed for solving the unsteady, incompressible Navier-Stokes equations in generalized curvilinear coordinates. The method employs a novel, fully-curvilinear staggered grid discretization approach, which does not require either the explicit evaluation of the Christoffel symbols or the discretization of all three momentum equations at cell interfaces as done in previous formulations. The equations are integrated in time using an efficient, second-order accurate fractional step methodology coupled with a Jacobian-free, Newton-Krylov solver for the momentum equations and a GMRES solver enhanced with multigrid as preconditioner for the Poisson equation. Several numerical experiments are carried out on fine computational meshes to demonstrate the accuracy and efficiency of the proposed method for standard benchmark problems as well as for unsteady, pulsatile flow through a curved, pipe bend. To demonstrate the ability of the method to simulate flows with complex, moving immersed boundaries we apply it to calculate pulsatile, physiological flow through a mechanical, bileaflet heart valve mounted in a model straight aorta with an anatomical-like triple sinus. PMID:19194533

A robust multilevel simultaneous eigenvalue solver

NASA Technical Reports Server (NTRS)

Costiner, Sorin; Taasan, Shlomo

1993-01-01

Multilevel (ML) algorithms for eigenvalue problems are often faced with several types of difficulties such as: the mixing of approximated eigenvectors by the solution process, the approximation of incomplete clusters of eigenvectors, the poor representation of solution on coarse levels, and the existence of close or equal eigenvalues. Algorithms that do not treat appropriately these difficulties usually fail, or their performance degrades when facing them. These issues motivated the development of a robust adaptive ML algorithm which treats these difficulties, for the calculation of a few eigenvectors and their corresponding eigenvalues. The main techniques used in the new algorithm include: the adaptive completion and separation of the relevant clusters on different levels, the simultaneous treatment of solutions within each cluster, and the robustness tests which monitor the algorithm's efficiency and convergence. The eigenvectors' separation efficiency is based on a new ML projection technique generalizing the Rayleigh Ritz projection, combined with a technique, the backrotations. These separation techniques, when combined with an FMG formulation, in many cases lead to algorithms of O(qN) complexity, for q eigenvectors of size N on the finest level. Previously developed ML algorithms are less focused on the mentioned difficulties. Moreover, algorithms which employ fine level separation techniques are of O(q(sub 2)N) complexity and usually do not overcome all these difficulties. Computational examples are presented where Schrodinger type eigenvalue problems in 2-D and 3-D, having equal and closely clustered eigenvalues, are solved with the efficiency of the Poisson multigrid solver. A second order approximation is obtained in O(qN) work, where the total computational work is equivalent to only a few fine level relaxations per eigenvector.

CALCLENS: Weak lensing simulations for large-area sky surveys and second-order effects in cosmic shear power spectra

NASA Astrophysics Data System (ADS)

Becker, Matthew Rand

I present a new algorithm, CALCLENS, for efficiently computing weak gravitational lensing shear signals from large N-body light cone simulations over a curved sky. This new algorithm properly accounts for the sky curvature and boundary conditions, is able to produce redshift- dependent shear signals including corrections to the Born approximation by using multiple- plane ray tracing, and properly computes the lensed images of source galaxies in the light cone. The key feature of this algorithm is a new, computationally efficient Poisson solver for the sphere that combines spherical harmonic transform and multigrid methods. As a result, large areas of sky (~10,000 square degrees) can be ray traced efficiently at high-resolution using only a few hundred cores. Using this new algorithm and curved-sky calculations that only use a slower but more accurate spherical harmonic transform Poisson solver, I study the convergence, shear E-mode, shear B-mode and rotation mode power spectra. Employing full-sky E/B-mode decompositions, I confirm that the numerically computed shear B-mode and rotation mode power spectra are equal at high accuracy ( ≲ 1%) as expected from perturbation theory up to second order. Coupled with realistic galaxy populations placed in large N-body light cone simulations, this new algorithm is ideally suited for the construction of synthetic weak lensing shear catalogs to be used to test for systematic effects in data analysis procedures for upcoming large-area sky surveys. The implementation presented in this work, written in C and employing widely available software libraries to maintain portability, is publicly available at http://code.google.com/p/calclens.

CALCLENS: weak lensing simulations for large-area sky surveys and second-order effects in cosmic shear power spectra

NASA Astrophysics Data System (ADS)

Becker, Matthew R.

2013-10-01

I present a new algorithm, Curved-sky grAvitational Lensing for Cosmological Light conE simulatioNS (CALCLENS), for efficiently computing weak gravitational lensing shear signals from large N-body light cone simulations over a curved sky. This new algorithm properly accounts for the sky curvature and boundary conditions, is able to produce redshift-dependent shear signals including corrections to the Born approximation by using multiple-plane ray tracing and properly computes the lensed images of source galaxies in the light cone. The key feature of this algorithm is a new, computationally efficient Poisson solver for the sphere that combines spherical harmonic transform and multigrid methods. As a result, large areas of sky (˜10 000 square degrees) can be ray traced efficiently at high resolution using only a few hundred cores. Using this new algorithm and curved-sky calculations that only use a slower but more accurate spherical harmonic transform Poisson solver, I study the convergence, shear E-mode, shear B-mode and rotation mode power spectra. Employing full-sky E/B-mode decompositions, I confirm that the numerically computed shear B-mode and rotation mode power spectra are equal at high accuracy (≲1 per cent) as expected from perturbation theory up to second order. Coupled with realistic galaxy populations placed in large N-body light cone simulations, this new algorithm is ideally suited for the construction of synthetic weak lensing shear catalogues to be used to test for systematic effects in data analysis procedures for upcoming large-area sky surveys. The implementation presented in this work, written in C and employing widely available software libraries to maintain portability, is publicly available at http://code.google.com/p/calclens.

An Unsplit Monte-Carlo solver for the resolution of the linear Boltzmann equation coupled to (stiff) Bateman equations

NASA Astrophysics Data System (ADS)

Bernede, Adrien; Poëtte, Gaël

2018-02-01

In this paper, we are interested in the resolution of the time-dependent problem of particle transport in a medium whose composition evolves with time due to interactions. As a constraint, we want to use of Monte-Carlo (MC) scheme for the transport phase. A common resolution strategy consists in a splitting between the MC/transport phase and the time discretization scheme/medium evolution phase. After going over and illustrating the main drawbacks of split solvers in a simplified configuration (monokinetic, scalar Bateman problem), we build a new Unsplit MC (UMC) solver improving the accuracy of the solutions, avoiding numerical instabilities, and less sensitive to time discretization. The new solver is essentially based on a Monte Carlo scheme with time dependent cross sections implying the on-the-fly resolution of a reduced model for each MC particle describing the time evolution of the matter along their flight path.

Multigrid Approach to Incompressible Viscous Cavity Flows

NASA Technical Reports Server (NTRS)

Wood, William A.

1996-01-01

Two-dimensional incompressible viscous driven-cavity flows are computed for Reynolds numbers on the range 100-20,000 using a loosely coupled, implicit, second-order centrally-different scheme. Mesh sequencing and three-level V-cycle multigrid error smoothing are incorporated into the symmetric Gauss-Seidel time-integration algorithm. Parametrics on the numerical parameters are performed, achieving reductions in solution times by more than 60 percent with the full multigrid approach. Details of the circulation patterns are investigated in cavities of 2-to-1, 1-to-1, and 1-to-2 depth to width ratios.

Multigrid Methods: Proceedings of the Copper Mountain Conference on Multigrid Methods (3rd) Held in Copper Mountain, Colorado on April 5-10, 1987

DTIC Science & Technology

1988-08-01

Time Series 53. J. Barros-Neto and R. A. Artino, Hypoelliptic Boundary-Value Problems 54. R. L. Sternberg, A. J. Kalinowski, and J. S. Papadakis... Systems 95. C E. AuL Rings of Continuous Functions 96. R. Chuaqui, Analysis , Geometry, and Probability 97. L. Fuchs and L. Sace, Modules Over...Local Refinements for a Class of Nonshared Memory Systems 449 Hermann Mierendorif Analysis of a Multigrid Method for the Euler Equations of Gas Dynamics

A diffuse-interface method for two-phase flows with soluble surfactants

PubMed Central

Teigen, Knut Erik; Song, Peng; Lowengrub, John; Voigt, Axel

2010-01-01

A method is presented to solve two-phase problems involving soluble surfactants. The incompressible Navier–Stokes equations are solved along with equations for the bulk and interfacial surfactant concentrations. A non-linear equation of state is used to relate the surface tension to the interfacial surfactant concentration. The method is based on the use of a diffuse interface, which allows a simple implementation using standard finite difference or finite element techniques. Here, finite difference methods on a block-structured adaptive grid are used, and the resulting equations are solved using a non-linear multigrid method. Results are presented for a drop in shear flow in both 2D and 3D, and the effect of solubility is discussed. PMID:21218125

Algorithmically scalable block preconditioner for fully implicit shallow-water equations in CAM-SE

DOE PAGES

Lott, P. Aaron; Woodward, Carol S.; Evans, Katherine J.

2014-10-19

Performing accurate and efficient numerical simulation of global atmospheric climate models is challenging due to the disparate length and time scales over which physical processes interact. Implicit solvers enable the physical system to be integrated with a time step commensurate with processes being studied. The dominant cost of an implicit time step is the ancillary linear system solves, so we have developed a preconditioner aimed at improving the efficiency of these linear system solves. Our preconditioner is based on an approximate block factorization of the linearized shallow-water equations and has been implemented within the spectral element dynamical core within themore » Community Atmospheric Model (CAM-SE). Furthermore, in this paper we discuss the development and scalability of the preconditioner for a suite of test cases with the implicit shallow-water solver within CAM-SE.« less

Factorizing the factorization - a spectral-element solver for elliptic equations with linear operation count

NASA Astrophysics Data System (ADS)

Huismann, Immo; Stiller, Jörg; Fröhlich, Jochen

2017-10-01

The paper proposes a novel factorization technique for static condensation of a spectral-element discretization matrix that yields a linear operation count of just 13N multiplications for the residual evaluation, where N is the total number of unknowns. In comparison to previous work it saves a factor larger than 3 and outpaces unfactored variants for all polynomial degrees. Using the new technique as a building block for a preconditioned conjugate gradient method yields linear scaling of the runtime with N which is demonstrated for polynomial degrees from 2 to 32. This makes the spectral-element method cost effective even for low polynomial degrees. Moreover, the dependence of the iterative solution on the element aspect ratio is addressed, showing only a slight increase in the number of iterations for aspect ratios up to 128. Hence, the solver is very robust for practical applications.

Parallel multigrid smoothing: polynomial versus Gauss-Seidel

NASA Astrophysics Data System (ADS)

Adams, Mark; Brezina, Marian; Hu, Jonathan; Tuminaro, Ray

2003-07-01

Gauss-Seidel is often the smoother of choice within multigrid applications. In the context of unstructured meshes, however, maintaining good parallel efficiency is difficult with multiplicative iterative methods such as Gauss-Seidel. This leads us to consider alternative smoothers. We discuss the computational advantages of polynomial smoothers within parallel multigrid algorithms for positive definite symmetric systems. Two particular polynomials are considered: Chebyshev and a multilevel specific polynomial. The advantages of polynomial smoothing over traditional smoothers such as Gauss-Seidel are illustrated on several applications: Poisson's equation, thin-body elasticity, and eddy current approximations to Maxwell's equations. While parallelizing the Gauss-Seidel method typically involves a compromise between a scalable convergence rate and maintaining high flop rates, polynomial smoothers achieve parallel scalable multigrid convergence rates without sacrificing flop rates. We show that, although parallel computers are the main motivation, polynomial smoothers are often surprisingly competitive with Gauss-Seidel smoothers on serial machines.

Generalised Assignment Matrix Methodology in Linear Programming

ERIC Educational Resources Information Center

Jerome, Lawrence

2012-01-01

Discrete Mathematics instructors and students have long been struggling with various labelling and scanning algorithms for solving many important problems. This paper shows how to solve a wide variety of Discrete Mathematics and OR problems using assignment matrices and linear programming, specifically using Excel Solvers although the same…

ALPS: A Linear Program Solver

NASA Technical Reports Server (NTRS)

Ferencz, Donald C.; Viterna, Larry A.

1991-01-01

ALPS is a computer program which can be used to solve general linear program (optimization) problems. ALPS was designed for those who have minimal linear programming (LP) knowledge and features a menu-driven scheme to guide the user through the process of creating and solving LP formulations. Once created, the problems can be edited and stored in standard DOS ASCII files to provide portability to various word processors or even other linear programming packages. Unlike many math-oriented LP solvers, ALPS contains an LP parser that reads through the LP formulation and reports several types of errors to the user. ALPS provides a large amount of solution data which is often useful in problem solving. In addition to pure linear programs, ALPS can solve for integer, mixed integer, and binary type problems. Pure linear programs are solved with the revised simplex method. Integer or mixed integer programs are solved initially with the revised simplex, and the completed using the branch-and-bound technique. Binary programs are solved with the method of implicit enumeration. This manual describes how to use ALPS to create, edit, and solve linear programming problems. Instructions for installing ALPS on a PC compatible computer are included in the appendices along with a general introduction to linear programming. A programmers guide is also included for assistance in modifying and maintaining the program.

A new fast direct solver for the boundary element method

NASA Astrophysics Data System (ADS)

Huang, S.; Liu, Y. J.

2017-09-01

A new fast direct linear equation solver for the boundary element method (BEM) is presented in this paper. The idea of the new fast direct solver stems from the concept of the hierarchical off-diagonal low-rank matrix. The hierarchical off-diagonal low-rank matrix can be decomposed into the multiplication of several diagonal block matrices. The inverse of the hierarchical off-diagonal low-rank matrix can be calculated efficiently with the Sherman-Morrison-Woodbury formula. In this paper, a more general and efficient approach to approximate the coefficient matrix of the BEM with the hierarchical off-diagonal low-rank matrix is proposed. Compared to the current fast direct solver based on the hierarchical off-diagonal low-rank matrix, the proposed method is suitable for solving general 3-D boundary element models. Several numerical examples of 3-D potential problems with the total number of unknowns up to above 200,000 are presented. The results show that the new fast direct solver can be applied to solve large 3-D BEM models accurately and with better efficiency compared with the conventional BEM.

Advanced Computational Methods for Security Constrained Financial Transmission Rights: Structure and Parallelism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Elbert, Stephen T.; Kalsi, Karanjit; Vlachopoulou, Maria

Financial Transmission Rights (FTRs) help power market participants reduce price risks associated with transmission congestion. FTRs are issued based on a process of solving a constrained optimization problem with the objective to maximize the FTR social welfare under power flow security constraints. Security constraints for different FTR categories (monthly, seasonal or annual) are usually coupled and the number of constraints increases exponentially with the number of categories. Commercial software for FTR calculation can only provide limited categories of FTRs due to the inherent computational challenges mentioned above. In this paper, a novel non-linear dynamical system (NDS) approach is proposed tomore » solve the optimization problem. The new formulation and performance of the NDS solver is benchmarked against widely used linear programming (LP) solvers like CPLEX™ and tested on large-scale systems using data from the Western Electricity Coordinating Council (WECC). The NDS is demonstrated to outperform the widely used CPLEX algorithms while exhibiting superior scalability. Furthermore, the NDS based solver can be easily parallelized which results in significant computational improvement.« less

LINFLUX-AE: A Turbomachinery Aeroelastic Code Based on a 3-D Linearized Euler Solver

NASA Technical Reports Server (NTRS)

Reddy, T. S. R.; Bakhle, M. A.; Trudell, J. J.; Mehmed, O.; Stefko, G. L.

2004-01-01

This report describes the development and validation of LINFLUX-AE, a turbomachinery aeroelastic code based on the linearized unsteady 3-D Euler solver, LINFLUX. A helical fan with flat plate geometry is selected as the test case for numerical validation. The steady solution required by LINFLUX is obtained from the nonlinear Euler/Navier Stokes solver TURBO-AE. The report briefly describes the salient features of LINFLUX and the details of the aeroelastic extension. The aeroelastic formulation is based on a modal approach. An eigenvalue formulation is used for flutter analysis. The unsteady aerodynamic forces required for flutter are obtained by running LINFLUX for each mode, interblade phase angle and frequency of interest. The unsteady aerodynamic forces for forced response analysis are obtained from LINFLUX for the prescribed excitation, interblade phase angle, and frequency. The forced response amplitude is calculated from the modal summation of the generalized displacements. The unsteady pressures, work done per cycle, eigenvalues and forced response amplitudes obtained from LINFLUX are compared with those obtained from LINSUB, TURBO-AE, ASTROP2, and ANSYS.

Cutting-edge Kinetic Physics with Parker Solar Probe and Solar Orbiter: The Arbitrary Linear Plasma Solver (ALPS)

NASA Astrophysics Data System (ADS)

Verscharen, D.; Klein, K. G.; Chandran, B. D. G.; Stevens, M. L.; Salem, C. S.; Bale, S. D.

2017-12-01

The Arbitrary Linear Plasma Solver (ALPS) is a parallelized numerical code that solves the dispersion relation in a hot (even relativistic) magnetized plasma with an arbitrary number of particle species with arbitrary gyrotropic equilibrium distribution functions for any direction of wave propagation with respect to the background field. In this way, ALPS retains generality and overcomes the shortcomings of previous (bi-)Maxwellian solvers for the plasma dispersion relations. The unprecedented high-resolution particle and field data products from Parker Solar Probe (PSP) and Solar Orbiter (SO) will require novel theoretical tools. ALPS is one such tool, and its use will make possible new investigations into the role of non-Maxwellian distributions in the near-Sun solar wind. It can be applied to numerous high-velocity-resolution systems, ranging from current space missions to numerical simulations. We will briefly discuss the ALPS algorithm and demonstrate its functionality based on previous solar-wind measurements. We will then highlight our plans for future applications of ALPS to PSP and SO observations.

Computer-Aided Transformation of PDE Models: Languages, Representations, and a Calculus of Operations

DTIC Science & Technology

2016-01-05

discretizations . We maintain that what is clear at the mathematical level should be equally clear in computation. In this small STIR project, we separate the...concerns of describing and discretizing such models by defining an input language representing PDE, including steady-state and tran- sient, linear and...solvers, such as [8, 9], focused on the solvers themselves and particular families of discretizations (e. g. finite elements), and now it is natural to

Mega-Scale Simulation of Multi-Layer Devices-- Formulation, Kinetics, and Visualization

DTIC Science & Technology

1994-07-28

prototype code STRIDE, also initially developed under ARO support. The focus of the ARO supported research activities has been in the areas of multi ... FORTRAN -77. During its fifteen-year life- span several generations of researchers have modified the code . Due to this continual develop- ment, the...behavior. The replacement of the linear solver had no effect on the remainder of the code . We replaced the existing solver with a distributed multi -frontal

Geometric multigrid to accelerate the solution of the quasi-static electric field problem by tetrahedral finite elements.

PubMed

Hollaus, K; Weiss, B; Magele, Ch; Hutten, H

2004-02-01

The acceleration of the solution of the quasi-static electric field problem considering anisotropic complex conductivity simulated by tetrahedral finite elements of first order is investigated by geometric multigrid.

Scalable Preconditioners for Structure Preserving Discretizations of Maxwell Equations in First Order Form

DOE PAGES

Phillips, Edward Geoffrey; Shadid, John N.; Cyr, Eric C.

2018-05-01

Here, we report multiple physical time-scales can arise in electromagnetic simulations when dissipative effects are introduced through boundary conditions, when currents follow external time-scales, and when material parameters vary spatially. In such scenarios, the time-scales of interest may be much slower than the fastest time-scales supported by the Maxwell equations, therefore making implicit time integration an efficient approach. The use of implicit temporal discretizations results in linear systems in which fast time-scales, which severely constrain the stability of an explicit method, can manifest as so-called stiff modes. This study proposes a new block preconditioner for structure preserving (also termed physicsmore » compatible) discretizations of the Maxwell equations in first order form. The intent of the preconditioner is to enable the efficient solution of multiple-time-scale Maxwell type systems. An additional benefit of the developed preconditioner is that it requires only a traditional multigrid method for its subsolves and compares well against alternative approaches that rely on specialized edge-based multigrid routines that may not be readily available. Lastly, results demonstrate parallel scalability at large electromagnetic wave CFL numbers on a variety of test problems.« less

Scalable Preconditioners for Structure Preserving Discretizations of Maxwell Equations in First Order Form

DOE Office of Scientific and Technical Information (OSTI.GOV)

Phillips, Edward Geoffrey; Shadid, John N.; Cyr, Eric C.

Here, we report multiple physical time-scales can arise in electromagnetic simulations when dissipative effects are introduced through boundary conditions, when currents follow external time-scales, and when material parameters vary spatially. In such scenarios, the time-scales of interest may be much slower than the fastest time-scales supported by the Maxwell equations, therefore making implicit time integration an efficient approach. The use of implicit temporal discretizations results in linear systems in which fast time-scales, which severely constrain the stability of an explicit method, can manifest as so-called stiff modes. This study proposes a new block preconditioner for structure preserving (also termed physicsmore » compatible) discretizations of the Maxwell equations in first order form. The intent of the preconditioner is to enable the efficient solution of multiple-time-scale Maxwell type systems. An additional benefit of the developed preconditioner is that it requires only a traditional multigrid method for its subsolves and compares well against alternative approaches that rely on specialized edge-based multigrid routines that may not be readily available. Lastly, results demonstrate parallel scalability at large electromagnetic wave CFL numbers on a variety of test problems.« less

An efficient flexible-order model for 3D nonlinear water waves

NASA Astrophysics Data System (ADS)

Engsig-Karup, A. P.; Bingham, H. B.; Lindberg, O.

2009-04-01

The flexible-order, finite difference based fully nonlinear potential flow model described in [H.B. Bingham, H. Zhang, On the accuracy of finite difference solutions for nonlinear water waves, J. Eng. Math. 58 (2007) 211-228] is extended to three dimensions (3D). In order to obtain an optimal scaling of the solution effort multigrid is employed to precondition a GMRES iterative solution of the discretized Laplace problem. A robust multigrid method based on Gauss-Seidel smoothing is found to require special treatment of the boundary conditions along solid boundaries, and in particular on the sea bottom. A new discretization scheme using one layer of grid points outside the fluid domain is presented and shown to provide convergent solutions over the full physical and discrete parameter space of interest. Linear analysis of the fundamental properties of the scheme with respect to accuracy, robustness and energy conservation are presented together with demonstrations of grid independent iteration count and optimal scaling of the solution effort. Calculations are made for 3D nonlinear wave problems for steep nonlinear waves and a shoaling problem which show good agreement with experimental measurements and other calculations from the literature.

Galaxy Redshifts from Discrete Optimization of Correlation Functions

NASA Astrophysics Data System (ADS)

Lee, Benjamin C. G.; Budavári, Tamás; Basu, Amitabh; Rahman, Mubdi

2016-12-01

We propose a new method of constraining the redshifts of individual extragalactic sources based on celestial coordinates and their ensemble statistics. Techniques from integer linear programming (ILP) are utilized to optimize simultaneously for the angular two-point cross- and autocorrelation functions. Our novel formalism introduced here not only transforms the otherwise hopelessly expensive, brute-force combinatorial search into a linear system with integer constraints but also is readily implementable in off-the-shelf solvers. We adopt Gurobi, a commercial optimization solver, and use Python to build the cost function dynamically. The preliminary results on simulated data show potential for future applications to sky surveys by complementing and enhancing photometric redshift estimators. Our approach is the first application of ILP to astronomical analysis.

Relaxation approximations to second-order traffic flow models by high-resolution schemes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nikolos, I.K.; Delis, A.I.; Papageorgiou, M.

2015-03-10

A relaxation-type approximation of second-order non-equilibrium traffic models, written in conservation or balance law form, is considered. Using the relaxation approximation, the nonlinear equations are transformed to a semi-linear diagonilizable problem with linear characteristic variables and stiff source terms with the attractive feature that neither Riemann solvers nor characteristic decompositions are in need. In particular, it is only necessary to provide the flux and source term functions and an estimate of the characteristic speeds. To discretize the resulting relaxation system, high-resolution reconstructions in space are considered. Emphasis is given on a fifth-order WENO scheme and its performance. The computations reportedmore » demonstrate the simplicity and versatility of relaxation schemes as numerical solvers.« less

Effect of Coannular Flow on Linearized Euler Equation Predictions of Jet Noise

NASA Technical Reports Server (NTRS)

Hixon, R.; Shih, S.-H.; Mankbadi, Reda R.

1997-01-01

An improved version of a previously validated linearized Euler equation solver is used to compute the noise generated by coannular supersonic jets. Results for a single supersonic jet are compared to the results from both a normal velocity profile and an inverted velocity profile supersonic jet.

Using the Multiplicative Schwarz Alternating Algorithm (MSAA) for Solving the Large Linear System of Equations Related to Global Gravity Field Recovery up to Degree and Order 120

NASA Astrophysics Data System (ADS)

Safari, A.; Sharifi, M. A.; Amjadiparvar, B.

2010-05-01

The GRACE mission has substantiated the low-low satellite-to-satellite tracking (LL-SST) concept. The LL-SST configuration can be combined with the previously realized high-low SST concept in the CHAMP mission to provide a much higher accuracy. The line of sight (LOS) acceleration difference between the GRACE satellite pair is the mostly used observable for mapping the global gravity field of the Earth in terms of spherical harmonic coefficients. In this paper, mathematical formulae for LOS acceleration difference observations have been derived and the corresponding linear system of equations has been set up for spherical harmonic up to degree and order 120. The total number of unknowns is 14641. Such a linear equation system can be solved with iterative solvers or direct solvers. However, the runtime of direct methods or that of iterative solvers without a suitable preconditioner increases tremendously. This is the reason why we need a more sophisticated method to solve the linear system of problems with a large number of unknowns. Multiplicative variant of the Schwarz alternating algorithm is a domain decomposition method, which allows it to split the normal matrix of the system into several smaller overlaped submatrices. In each iteration step the multiplicative variant of the Schwarz alternating algorithm solves linear systems with the matrices obtained from the splitting successively. It reduces both runtime and memory requirements drastically. In this paper we propose the Multiplicative Schwarz Alternating Algorithm (MSAA) for solving the large linear system of gravity field recovery. The proposed algorithm has been tested on the International Association of Geodesy (IAG)-simulated data of the GRACE mission. The achieved results indicate the validity and efficiency of the proposed algorithm in solving the linear system of equations from accuracy and runtime points of view. Keywords: Gravity field recovery, Multiplicative Schwarz Alternating Algorithm, Low-Low Satellite-to-Satellite Tracking

AFMPB: An adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems

NASA Astrophysics Data System (ADS)

Lu, Benzhuo; Cheng, Xiaolin; Huang, Jingfang; McCammon, J. Andrew

2010-06-01

A Fortran program package is introduced for rapid evaluation of the electrostatic potentials and forces in biomolecular systems modeled by the linearized Poisson-Boltzmann equation. The numerical solver utilizes a well-conditioned boundary integral equation (BIE) formulation, a node-patch discretization scheme, a Krylov subspace iterative solver package with reverse communication protocols, and an adaptive new version of fast multipole method in which the exponential expansions are used to diagonalize the multipole-to-local translations. The program and its full description, as well as several closely related libraries and utility tools are available at http://lsec.cc.ac.cn/~lubz/afmpb.html and a mirror site at http://mccammon.ucsd.edu/. This paper is a brief summary of the program: the algorithms, the implementation and the usage. Program summaryProgram title: AFMPB: Adaptive fast multipole Poisson-Boltzmann solver Catalogue identifier: AEGB_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGB_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GPL 2.0 No. of lines in distributed program, including test data, etc.: 453 649 No. of bytes in distributed program, including test data, etc.: 8 764 754 Distribution format: tar.gz Programming language: Fortran Computer: Any Operating system: Any RAM: Depends on the size of the discretized biomolecular system Classification: 3 External routines: Pre- and post-processing tools are required for generating the boundary elements and for visualization. Users can use MSMS ( http://www.scripps.edu/~sanner/html/msms_home.html) for pre-processing, and VMD ( http://www.ks.uiuc.edu/Research/vmd/) for visualization. Sub-programs included: An iterative Krylov subspace solvers package from SPARSKIT by Yousef Saad ( http://www-users.cs.umn.edu/~saad/software/SPARSKIT/sparskit.html), and the fast multipole methods subroutines from FMMSuite ( http://www.fastmultipole.org/). Nature of problem: Numerical solution of the linearized Poisson-Boltzmann equation that describes electrostatic interactions of molecular systems in ionic solutions. Solution method: A novel node-patch scheme is used to discretize the well-conditioned boundary integral equation formulation of the linearized Poisson-Boltzmann equation. Various Krylov subspace solvers can be subsequently applied to solve the resulting linear system, with a bounded number of iterations independent of the number of discretized unknowns. The matrix-vector multiplication at each iteration is accelerated by the adaptive new versions of fast multipole methods. The AFMPB solver requires other stand-alone pre-processing tools for boundary mesh generation, post-processing tools for data analysis and visualization, and can be conveniently coupled with different time stepping methods for dynamics simulation. Restrictions: Only three or six significant digits options are provided in this version. Unusual features: Most of the codes are in Fortran77 style. Memory allocation functions from Fortran90 and above are used in a few subroutines. Additional comments: The current version of the codes is designed and written for single core/processor desktop machines. Check http://lsec.cc.ac.cn/~lubz/afmpb.html and http://mccammon.ucsd.edu/ for updates and changes. Running time: The running time varies with the number of discretized elements ( N) in the system and their distributions. In most cases, it scales linearly as a function of N.

Multigrid Methods for Aerodynamic Problems in Complex Geometries

NASA Technical Reports Server (NTRS)

Caughey, David A.

1995-01-01

Work has been directed at the development of efficient multigrid methods for the solution of aerodynamic problems involving complex geometries, including the development of computational methods for the solution of both inviscid and viscous transonic flow problems. The emphasis is on problems of complex, three-dimensional geometry. The methods developed are based upon finite-volume approximations to both the Euler and the Reynolds-Averaged Navier-Stokes equations. The methods are developed for use on multi-block grids using diagonalized implicit multigrid methods to achieve computational efficiency. The work is focused upon aerodynamic problems involving complex geometries, including advanced engine inlets.

A multigrid method for steady Euler equations on unstructured adaptive grids

NASA Technical Reports Server (NTRS)

Riemslagh, Kris; Dick, Erik

1993-01-01

A flux-difference splitting type algorithm is formulated for the steady Euler equations on unstructured grids. The polynomial flux-difference splitting technique is used. A vertex-centered finite volume method is employed on a triangular mesh. The multigrid method is in defect-correction form. A relaxation procedure with a first order accurate inner iteration and a second-order correction performed only on the finest grid, is used. A multi-stage Jacobi relaxation method is employed as a smoother. Since the grid is unstructured a Jacobi type is chosen. The multi-staging is necessary to provide sufficient smoothing properties. The domain is discretized using a Delaunay triangular mesh generator. Three grids with more or less uniform distribution of nodes but with different resolution are generated by successive refinement of the coarsest grid. Nodes of coarser grids appear in the finer grids. The multigrid method is started on these grids. As soon as the residual drops below a threshold value, an adaptive refinement is started. The solution on the adaptively refined grid is accelerated by a multigrid procedure. The coarser multigrid grids are generated by successive coarsening through point removement. The adaption cycle is repeated a few times. Results are given for the transonic flow over a NACA-0012 airfoil.

Generalization of mixed multiscale finite element methods with applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, C S

Many science and engineering problems exhibit scale disparity and high contrast. The small scale features cannot be omitted in the physical models because they can affect the macroscopic behavior of the problems. However, resolving all the scales in these problems can be prohibitively expensive. As a consequence, some types of model reduction techniques are required to design efficient solution algorithms. For practical purpose, we are interested in mixed finite element problems as they produce solutions with certain conservative properties. Existing multiscale methods for such problems include the mixed multiscale finite element methods. We show that for complicated problems, the mixedmore » multiscale finite element methods may not be able to produce reliable approximations. This motivates the need of enrichment for coarse spaces. Two enrichment approaches are proposed, one is based on generalized multiscale finte element metthods (GMsFEM), while the other is based on spectral element-based algebraic multigrid (rAMGe). The former one, which is called mixed GMsFEM, is developed for both Darcy’s flow and linear elasticity. Application of the algorithm in two-phase flow simulations are demonstrated. For linear elasticity, the algorithm is subtly modified due to the symmetry requirement of the stress tensor. The latter enrichment approach is based on rAMGe. The algorithm differs from GMsFEM in that both of the velocity and pressure spaces are coarsened. Due the multigrid nature of the algorithm, recursive application is available, which results in an efficient multilevel construction of the coarse spaces. Stability, convergence analysis, and exhaustive numerical experiments are carried out to validate the proposed enrichment approaches. iii« less

Multigrid Methods for the Computation of Propagators in Gauge Fields

NASA Astrophysics Data System (ADS)

Kalkreuter, Thomas

Multigrid methods were invented for the solution of discretized partial differential equations in order to overcome the slowness of traditional algorithms by updates on various length scales. In the present work generalizations of multigrid methods for propagators in gauge fields are investigated. Gauge fields are incorporated in algorithms in a covariant way. The kernel C of the restriction operator which averages from one grid to the next coarser grid is defined by projection on the ground-state of a local Hamiltonian. The idea behind this definition is that the appropriate notion of smoothness depends on the dynamics. The ground-state projection choice of C can be used in arbitrary dimension and for arbitrary gauge group. We discuss proper averaging operations for bosons and for staggered fermions. The kernels C can also be used in multigrid Monte Carlo simulations, and for the definition of block spins and blocked gauge fields in Monte Carlo renormalization group studies. Actual numerical computations are performed in four-dimensional SU(2) gauge fields. We prove that our proposals for block spins are “good”, using renormalization group arguments. A central result is that the multigrid method works in arbitrarily disordered gauge fields, in principle. It is proved that computations of propagators in gauge fields without critical slowing down are possible when one uses an ideal interpolation kernel. Unfortunately, the idealized algorithm is not practical, but it was important to answer questions of principle. Practical methods are able to outperform the conjugate gradient algorithm in case of bosons. The case of staggered fermions is harder. Multigrid methods give considerable speed-ups compared to conventional relaxation algorithms, but on lattices up to 184 conjugate gradient is superior.

On the use of finite difference matrix-vector products in Newton-Krylov solvers for implicit climate dynamics with spectral elements

DOE PAGES

Woodward, Carol S.; Gardner, David J.; Evans, Katherine J.

2015-01-01

Efficient solutions of global climate models require effectively handling disparate length and time scales. Implicit solution approaches allow time integration of the physical system with a step size governed by accuracy of the processes of interest rather than by stability of the fastest time scales present. Implicit approaches, however, require the solution of nonlinear systems within each time step. Usually, a Newton's method is applied to solve these systems. Each iteration of the Newton's method, in turn, requires the solution of a linear model of the nonlinear system. This model employs the Jacobian of the problem-defining nonlinear residual, but thismore » Jacobian can be costly to form. If a Krylov linear solver is used for the solution of the linear system, the action of the Jacobian matrix on a given vector is required. In the case of spectral element methods, the Jacobian is not calculated but only implemented through matrix-vector products. The matrix-vector multiply can also be approximated by a finite difference approximation which may introduce inaccuracy in the overall nonlinear solver. In this paper, we review the advantages and disadvantages of finite difference approximations of these matrix-vector products for climate dynamics within the spectral element shallow water dynamical core of the Community Atmosphere Model.« less

Large-scale 3D geoelectromagnetic modeling using parallel adaptive high-order finite element method

DOE PAGES

Grayver, Alexander V.; Kolev, Tzanio V.

2015-11-01

Here, we have investigated the use of the adaptive high-order finite-element method (FEM) for geoelectromagnetic modeling. Because high-order FEM is challenging from the numerical and computational points of view, most published finite-element studies in geoelectromagnetics use the lowest order formulation. Solution of the resulting large system of linear equations poses the main practical challenge. We have developed a fully parallel and distributed robust and scalable linear solver based on the optimal block-diagonal and auxiliary space preconditioners. The solver was found to be efficient for high finite element orders, unstructured and nonconforming locally refined meshes, a wide range of frequencies, largemore » conductivity contrasts, and number of degrees of freedom (DoFs). Furthermore, the presented linear solver is in essence algebraic; i.e., it acts on the matrix-vector level and thus requires no information about the discretization, boundary conditions, or physical source used, making it readily efficient for a wide range of electromagnetic modeling problems. To get accurate solutions at reduced computational cost, we have also implemented goal-oriented adaptive mesh refinement. The numerical tests indicated that if highly accurate modeling results were required, the high-order FEM in combination with the goal-oriented local mesh refinement required less computational time and DoFs than the lowest order adaptive FEM.« less

Large-scale 3D geoelectromagnetic modeling using parallel adaptive high-order finite element method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grayver, Alexander V.; Kolev, Tzanio V.

Here, we have investigated the use of the adaptive high-order finite-element method (FEM) for geoelectromagnetic modeling. Because high-order FEM is challenging from the numerical and computational points of view, most published finite-element studies in geoelectromagnetics use the lowest order formulation. Solution of the resulting large system of linear equations poses the main practical challenge. We have developed a fully parallel and distributed robust and scalable linear solver based on the optimal block-diagonal and auxiliary space preconditioners. The solver was found to be efficient for high finite element orders, unstructured and nonconforming locally refined meshes, a wide range of frequencies, largemore » conductivity contrasts, and number of degrees of freedom (DoFs). Furthermore, the presented linear solver is in essence algebraic; i.e., it acts on the matrix-vector level and thus requires no information about the discretization, boundary conditions, or physical source used, making it readily efficient for a wide range of electromagnetic modeling problems. To get accurate solutions at reduced computational cost, we have also implemented goal-oriented adaptive mesh refinement. The numerical tests indicated that if highly accurate modeling results were required, the high-order FEM in combination with the goal-oriented local mesh refinement required less computational time and DoFs than the lowest order adaptive FEM.« less

Multigrid Acceleration of Time-Accurate DNS of Compressible Turbulent Flow

NASA Technical Reports Server (NTRS)

Broeze, Jan; Geurts, Bernard; Kuerten, Hans; Streng, Martin

1996-01-01

An efficient scheme for the direct numerical simulation of 3D transitional and developed turbulent flow is presented. Explicit and implicit time integration schemes for the compressible Navier-Stokes equations are compared. The nonlinear system resulting from the implicit time discretization is solved with an iterative method and accelerated by the application of a multigrid technique. Since we use central spatial discretizations and no artificial dissipation is added to the equations, the smoothing method is less effective than in the more traditional use of multigrid in steady-state calculations. Therefore, a special prolongation method is needed in order to obtain an effective multigrid method. This simulation scheme was studied in detail for compressible flow over a flat plate. In the laminar regime and in the first stages of turbulent flow the implicit method provides a speed-up of a factor 2 relative to the explicit method on a relatively coarse grid. At increased resolution this speed-up is enhanced correspondingly.

Least-Squares Spectral Element Solutions to the CAA Workshop Benchmark Problems

NASA Technical Reports Server (NTRS)

Lin, Wen H.; Chan, Daniel C.

1997-01-01

This paper presents computed results for some of the CAA benchmark problems via the acoustic solver developed at Rocketdyne CFD Technology Center under the corporate agreement between Boeing North American, Inc. and NASA for the Aerospace Industry Technology Program. The calculations are considered as benchmark testing of the functionality, accuracy, and performance of the solver. Results of these computations demonstrate that the solver is capable of solving the propagation of aeroacoustic signals. Testing of sound generation and on more realistic problems is now pursued for the industrial applications of this solver. Numerical calculations were performed for the second problem of Category 1 of the current workshop problems for an acoustic pulse scattered from a rigid circular cylinder, and for two of the first CAA workshop problems, i. e., the first problem of Category 1 for the propagation of a linear wave and the first problem of Category 4 for an acoustic pulse reflected from a rigid wall in a uniform flow of Mach 0.5. The aim for including the last two problems in this workshop is to test the effectiveness of some boundary conditions set up in the solver. Numerical results of the last two benchmark problems have been compared with their corresponding exact solutions and the comparisons are excellent. This demonstrates the high fidelity of the solver in handling wave propagation problems. This feature lends the method quite attractive in developing a computational acoustic solver for calculating the aero/hydrodynamic noise in a violent flow environment.

RELATIVISTIC MAGNETOHYDRODYNAMICS: RENORMALIZED EIGENVECTORS AND FULL WAVE DECOMPOSITION RIEMANN SOLVER

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anton, Luis; MartI, Jose M; Ibanez, Jose M

2010-05-01

We obtain renormalized sets of right and left eigenvectors of the flux vector Jacobians of the relativistic MHD equations, which are regular and span a complete basis in any physical state including degenerate ones. The renormalization procedure relies on the characterization of the degeneracy types in terms of the normal and tangential components of the magnetic field to the wave front in the fluid rest frame. Proper expressions of the renormalized eigenvectors in conserved variables are obtained through the corresponding matrix transformations. Our work completes previous analysis that present different sets of right eigenvectors for non-degenerate and degenerate states, andmore » can be seen as a relativistic generalization of earlier work performed in classical MHD. Based on the full wave decomposition (FWD) provided by the renormalized set of eigenvectors in conserved variables, we have also developed a linearized (Roe-type) Riemann solver. Extensive testing against one- and two-dimensional standard numerical problems allows us to conclude that our solver is very robust. When compared with a family of simpler solvers that avoid the knowledge of the full characteristic structure of the equations in the computation of the numerical fluxes, our solver turns out to be less diffusive than HLL and HLLC, and comparable in accuracy to the HLLD solver. The amount of operations needed by the FWD solver makes it less efficient computationally than those of the HLL family in one-dimensional problems. However, its relative efficiency increases in multidimensional simulations.« less

Optimal Facility Location Tool for Logistics Battle Command (LBC)

DTIC Science & Technology

2015-08-01

64 Appendix B. VBA Code . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72 Appendix C. Story...should city planners have located emergency service facilities so that all households (the demand) had equal access to coverage?” The critical...programming language called Visual Basic for Applications ( VBA ). CPLEX is a commercial solver for linear, integer, and mixed integer linear programming problems

Decreasing the temporal complexity for nonlinear, implicit reduced-order models by forecasting

DOE PAGES

Carlberg, Kevin; Ray, Jaideep; van Bloemen Waanders, Bart

2015-02-14

Implicit numerical integration of nonlinear ODEs requires solving a system of nonlinear algebraic equations at each time step. Each of these systems is often solved by a Newton-like method, which incurs a sequence of linear-system solves. Most model-reduction techniques for nonlinear ODEs exploit knowledge of system's spatial behavior to reduce the computational complexity of each linear-system solve. However, the number of linear-system solves for the reduced-order simulation often remains roughly the same as that for the full-order simulation. We propose exploiting knowledge of the model's temporal behavior to (1) forecast the unknown variable of the reduced-order system of nonlinear equationsmore » at future time steps, and (2) use this forecast as an initial guess for the Newton-like solver during the reduced-order-model simulation. To compute the forecast, we propose using the Gappy POD technique. As a result, the goal is to generate an accurate initial guess so that the Newton solver requires many fewer iterations to converge, thereby decreasing the number of linear-system solves in the reduced-order-model simulation.« less

Multigrid Methods for EHL Problems

NASA Technical Reports Server (NTRS)

Nurgat, Elyas; Berzins, Martin

1996-01-01

In many bearings and contacts, forces are transmitted through thin continuous fluid films which separate two contacting elements. Objects in contact are normally subjected to friction and wear which can be reduced effectively by using lubricants. If the lubricant film is sufficiently thin to prevent the opposing solids from coming into contact and carries the entire load, then we have hydrodynamic lubrication, where the lubricant film is determined by the motion and geometry of the solids. However, for loaded contacts of low geometrical conformity, such as gears, rolling contact bearings and cams, this is not the case due to high pressures and this is referred to as Elasto-Hydrodynamic Lubrication (EHL) In EHL, elastic deformation of the contacting elements and the increase in fluid viscosity with pressure are very significant and cannot be ignored. Since the deformation results in changing the geometry of the lubricating film, which in turn determines the pressure distribution, an EHL mathematical model must simultaneously satisfy the complex elasticity (integral) and the Reynolds lubrication (differential) equations. The nonlinear and coupled nature of the two equations makes numerical calculations computationally intensive. This is especially true for highly loaded problems found in practice. One novel feature of these problems is that the solution may exhibit sharp pressure spikes in the outlet region. To this date both finite element and finite difference methods have been used to solve EHL problems with perhaps greater emphasis on the use of the finite difference approach. In both cases, a major computational difficulty is ensuring convergence of the nonlinear equations solver to a steady state solution. Two successful methods for achieving this are direct iteration and multigrid methods. Direct iteration methods (e.g Gauss Seidel) have long been used in conjunction with finite difference discretizations on regular meshes. Perhaps one of the best examples of the application of such methods is the recent Effective Influence Method of Dowson and Wang. Multigrid methods have also been used with great success by Venner and Venner and Lubrecht with a good summary being given by Venner. As both these finite difference discretization based approaches appear to provide an efficient way of solving EHL problems, it is important to understand their relative merits. This paper is a first attempt at providing such an understanding in the context of EHL point contact problem, (contact of two spheres), in which the contact zone is a point and an ellipse or circle for unloaded and loaded dry contacts respectively. Since the film thickness and the contact width are generally small compared to the local radius of curvature of the two surfaces, the reduced geometry of the surfaces in the contact area can be accurately approximated to the contact between a paraboloid and a flat surface. The layout of the remainder of this paper is as follows. In section 2 we introduce the form of the equations to be solved. The Effective Influence Newton Method is described in Section 3 while Section 4 describes the Multigrid method to be used. Sections 5 and 6 describe the test problems to be used in the comparison between the two methods and compare the performance of the two methods. Section 7 concludes the paper with an argument of the two methods and suggests some future research directions.

Development and Application of Agglomerated Multigrid Methods for Complex Geometries

NASA Technical Reports Server (NTRS)

Nishikawa, Hiroaki; Diskin, Boris; Thomas, James L.

2010-01-01

We report progress in the development of agglomerated multigrid techniques for fully un- structured grids in three dimensions, building upon two previous studies focused on efficiently solving a model diffusion equation. We demonstrate a robust fully-coarsened agglomerated multigrid technique for 3D complex geometries, incorporating the following key developments: consistent and stable coarse-grid discretizations, a hierarchical agglomeration scheme, and line-agglomeration/relaxation using prismatic-cell discretizations in the highly-stretched grid regions. A signi cant speed-up in computer time is demonstrated for a model diffusion problem, the Euler equations, and the Reynolds-averaged Navier-Stokes equations for 3D realistic complex geometries.

Multigrid for Staggered Lattice Fermions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brower, Richard C.; Clark, M. A.; Strelchenko, Alexei

Critical slowing down in Krylov methods for the Dirac operator presents a major obstacle to further advances in lattice field theory as it approaches the continuum solution. Here we formulate a multi-grid algorithm for the Kogut-Susskind (or staggered) fermion discretization which has proven difficult relative to Wilson multigrid due to its first-order anti-Hermitian structure. The solution is to introduce a novel spectral transformation by the K\\"ahler-Dirac spin structure prior to the Galerkin projection. We present numerical results for the two-dimensional, two-flavor Schwinger model, however, the general formalism is agnostic to dimension and is directly applicable to four-dimensional lattice QCD.

A dynamically adaptive multigrid algorithm for the incompressible Navier-Stokes equations: Validation and model problems

NASA Technical Reports Server (NTRS)

Thompson, C. P.; Leaf, G. K.; Vanrosendale, J.

1991-01-01

An algorithm is described for the solution of the laminar, incompressible Navier-Stokes equations. The basic algorithm is a multigrid based on a robust, box-based smoothing step. Its most important feature is the incorporation of automatic, dynamic mesh refinement. This algorithm supports generalized simple domains. The program is based on a standard staggered-grid formulation of the Navier-Stokes equations for robustness and efficiency. Special grid transfer operators were introduced at grid interfaces in the multigrid algorithm to ensure discrete mass conservation. Results are presented for three models: the driven-cavity, a backward-facing step, and a sudden expansion/contraction.

Seventh Copper Mountain Conference on Multigrid Methods. Part 2

NASA Technical Reports Server (NTRS)

Melson, N. Duane (Editor); Manteuffel, Tom A. (Editor); McCormick, Steve F. (Editor); Douglas, Craig C. (Editor)

1996-01-01

The Seventh Copper Mountain Conference on Multigrid Methods was held on April 2-7, 1995 at Copper Mountain, Colorado. This book is a collection of many of the papers presented at the conference and so represents the conference proceedings. NASA Langley graciously provided printing of this document so that all of the papers could be presented in a single forum. Each paper was reviewed by a member of the conference organizing committee under the coordination of the editors. The vibrancy and diversity in this field are amply expressed in these important papers, and the collection clearly shows the continuing rapid growth of the use of multigrid acceleration techniques.

Numerical study of the flow in a three-dimensional thermally driven cavity

NASA Astrophysics Data System (ADS)

Rauwoens, Pieter; Vierendeels, Jan; Merci, Bart

2008-06-01

Solutions for the fully compressible Navier-Stokes equations are presented for the flow and temperature fields in a cubic cavity with large horizontal temperature differences. The ideal-gas approximation for air is assumed and viscosity is computed using Sutherland's law. The three-dimensional case forms an extension of previous studies performed on a two-dimensional square cavity. The influence of imposed boundary conditions in the third dimension is investigated as a numerical experiment. Comparison is made between convergence rates in case of periodic and free-slip boundary conditions. Results with no-slip boundary conditions are presented as well. The effect of the Rayleigh number is studied. Results are computed using a finite volume method on a structured, collocated grid. An explicit third-order discretization for the convective part and an implicit central discretization for the acoustic part and for the diffusive part are used. To stabilize the scheme an artificial dissipation term for the pressure and the temperature is introduced. The discrete equations are solved using a time-marching method with restrictions on the timestep corresponding to the explicit parts of the solver. Multigrid is used as acceleration technique.

Pseudo-time methods for constrained optimization problems governed by PDE

NASA Technical Reports Server (NTRS)

Taasan, Shlomo

1995-01-01

In this paper we present a novel method for solving optimization problems governed by partial differential equations. Existing methods are gradient information in marching toward the minimum, where the constrained PDE is solved once (sometimes only approximately) per each optimization step. Such methods can be viewed as a marching techniques on the intersection of the state and costate hypersurfaces while improving the residuals of the design equations per each iteration. In contrast, the method presented here march on the design hypersurface and at each iteration improve the residuals of the state and costate equations. The new method is usually much less expensive per iteration step since, in most problems of practical interest, the design equation involves much less unknowns that that of either the state or costate equations. Convergence is shown using energy estimates for the evolution equations governing the iterative process. Numerical tests show that the new method allows the solution of the optimization problem in a cost of solving the analysis problems just a few times, independent of the number of design parameters. The method can be applied using single grid iterations as well as with multigrid solvers.

Eigensystem analysis of classical relaxation techniques with applications to multigrid analysis

NASA Technical Reports Server (NTRS)

Lomax, Harvard; Maksymiuk, Catherine

1987-01-01

Classical relaxation techniques are related to numerical methods for solution of ordinary differential equations. Eigensystems for Point-Jacobi, Gauss-Seidel, and SOR methods are presented. Solution techniques such as eigenvector annihilation, eigensystem mixing, and multigrid methods are examined with regard to the eigenstructure.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vay, Jean-Luc, E-mail: jlvay@lbl.gov; Haber, Irving; Godfrey, Brendan B.

Pseudo-spectral electromagnetic solvers (i.e. representing the fields in Fourier space) have extraordinary precision. In particular, Haber et al. presented in 1973 a pseudo-spectral solver that integrates analytically the solution over a finite time step, under the usual assumption that the source is constant over that time step. Yet, pseudo-spectral solvers have not been widely used, due in part to the difficulty for efficient parallelization owing to global communications associated with global FFTs on the entire computational domains. A method for the parallelization of electromagnetic pseudo-spectral solvers is proposed and tested on single electromagnetic pulses, and on Particle-In-Cell simulations of themore » wakefield formation in a laser plasma accelerator. The method takes advantage of the properties of the Discrete Fourier Transform, the linearity of Maxwell’s equations and the finite speed of light for limiting the communications of data within guard regions between neighboring computational domains. Although this requires a small approximation, test results show that no significant error is made on the test cases that have been presented. The proposed method opens the way to solvers combining the favorable parallel scaling of standard finite-difference methods with the accuracy advantages of pseudo-spectral methods.« less

A computationally efficient Bayesian sequential simulation approach for the assimilation of vast and diverse hydrogeophysical datasets

NASA Astrophysics Data System (ADS)

Nussbaumer, Raphaël; Gloaguen, Erwan; Mariéthoz, Grégoire; Holliger, Klaus

2016-04-01

Bayesian sequential simulation (BSS) is a powerful geostatistical technique, which notably has shown significant potential for the assimilation of datasets that are diverse with regard to the spatial resolution and their relationship. However, these types of applications of BSS require a large number of realizations to adequately explore the solution space and to assess the corresponding uncertainties. Moreover, such simulations generally need to be performed on very fine grids in order to adequately exploit the technique's potential for characterizing heterogeneous environments. Correspondingly, the computational cost of BSS algorithms in their classical form is very high, which so far has limited an effective application of this method to large models and/or vast datasets. In this context, it is also important to note that the inherent assumption regarding the independence of the considered datasets is generally regarded as being too strong in the context of sequential simulation. To alleviate these problems, we have revisited the classical implementation of BSS and incorporated two key features to increase the computational efficiency. The first feature is a combined quadrant spiral - superblock search, which targets run-time savings on large grids and adds flexibility with regard to the selection of neighboring points using equal directional sampling and treating hard data and previously simulated points separately. The second feature is a constant path of simulation, which enhances the efficiency for multiple realizations. We have also modified the aggregation operator to be more flexible with regard to the assumption of independence of the considered datasets. This is achieved through log-linear pooling, which essentially allows for attributing weights to the various data components. Finally, a multi-grid simulating path was created to enforce large-scale variance and to allow for adapting parameters, such as, for example, the log-linear weights or the type of simulation path at various scales. The newly implemented search method for kriging reduces the computational cost from an exponential dependence with regard to the grid size in the original algorithm to a linear relationship, as each neighboring search becomes independent from the grid size. For the considered examples, our results show a sevenfold reduction in run time for each additional realization when a constant simulation path is used. The traditional criticism that constant path techniques introduce a bias to the simulations was explored and our findings do indeed reveal a minor reduction in the diversity of the simulations. This bias can, however, be largely eliminated by changing the path type at different scales through the use of the multi-grid approach. Finally, we show that adapting the aggregation weight at each scale considered in our multi-grid approach allows for reproducing both the variogram and histogram, and the spatial trend of the underlying data.

A non-linear regression analysis program for describing electrophysiological data with multiple functions using Microsoft Excel.

PubMed

Brown, Angus M

2006-04-01

The objective of this present study was to demonstrate a method for fitting complex electrophysiological data with multiple functions using the SOLVER add-in of the ubiquitous spreadsheet Microsoft Excel. SOLVER minimizes the difference between the sum of the squares of the data to be fit and the function(s) describing the data using an iterative generalized reduced gradient method. While it is a straightforward procedure to fit data with linear functions, and we have previously demonstrated a method of non-linear regression analysis of experimental data based upon a single function, it is more complex to fit data with multiple functions, usually requiring specialized expensive computer software. In this paper we describe an easily understood program for fitting experimentally acquired data, in this case the stimulus-evoked compound action potential from the mouse optic nerve, with multiple Gaussian functions. The program is flexible and can be applied to describe data with a wide variety of user-input functions.

Reliable and efficient solution of genome-scale models of Metabolism and macromolecular Expression

DOE PAGES

Ma, Ding; Yang, Laurence; Fleming, Ronan M. T.; ...

2017-01-18

Currently, Constraint-Based Reconstruction and Analysis (COBRA) is the only methodology that permits integrated modeling of Metabolism and macromolecular Expression (ME) at genome-scale. Linear optimization computes steady-state flux solutions to ME models, but flux values are spread over many orders of magnitude. Data values also have greatly varying magnitudes. Furthermore, standard double-precision solvers may return inaccurate solutions or report that no solution exists. Exact simplex solvers based on rational arithmetic require a near-optimal warm start to be practical on large problems (current ME models have 70,000 constraints and variables and will grow larger). We also developed a quadrupleprecision version of ourmore » linear and nonlinear optimizer MINOS, and a solution procedure (DQQ) involving Double and Quad MINOS that achieves reliability and efficiency for ME models and other challenging problems tested here. DQQ will enable extensive use of large linear and nonlinear models in systems biology and other applications involving multiscale data.« less

Reliable and efficient solution of genome-scale models of Metabolism and macromolecular Expression

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ma, Ding; Yang, Laurence; Fleming, Ronan M. T.

Currently, Constraint-Based Reconstruction and Analysis (COBRA) is the only methodology that permits integrated modeling of Metabolism and macromolecular Expression (ME) at genome-scale. Linear optimization computes steady-state flux solutions to ME models, but flux values are spread over many orders of magnitude. Data values also have greatly varying magnitudes. Furthermore, standard double-precision solvers may return inaccurate solutions or report that no solution exists. Exact simplex solvers based on rational arithmetic require a near-optimal warm start to be practical on large problems (current ME models have 70,000 constraints and variables and will grow larger). We also developed a quadrupleprecision version of ourmore » linear and nonlinear optimizer MINOS, and a solution procedure (DQQ) involving Double and Quad MINOS that achieves reliability and efficiency for ME models and other challenging problems tested here. DQQ will enable extensive use of large linear and nonlinear models in systems biology and other applications involving multiscale data.« less

Nonlinear Krylov and moving nodes in the method of lines

NASA Astrophysics Data System (ADS)

Miller, Keith

2005-11-01

We report on some successes and problem areas in the Method of Lines from our work with moving node finite element methods. First, we report on our "nonlinear Krylov accelerator" for the modified Newton's method on the nonlinear equations of our stiff ODE solver. Since 1990 it has been robust, simple, cheap, and automatic on all our moving node computations. We publicize further trials with it here because it should be of great general usefulness to all those solving evolutionary equations. Second, we discuss the need for reliable automatic choice of spatially variable time steps. Third, we discuss the need for robust and efficient iterative solvers for the difficult linearized equations (Jx=b) of our stiff ODE solver. Here, the 1997 thesis of Zulu Xaba has made significant progress.

Hybrid discrete ordinates and characteristics method for solving the linear Boltzmann equation

NASA Astrophysics Data System (ADS)

Yi, Ce

With the ability of computer hardware and software increasing rapidly, deterministic methods to solve the linear Boltzmann equation (LBE) have attracted some attention for computational applications in both the nuclear engineering and medical physics fields. Among various deterministic methods, the discrete ordinates method (SN) and the method of characteristics (MOC) are two of the most widely used methods. The SN method is the traditional approach to solve the LBE for its stability and efficiency. While the MOC has some advantages in treating complicated geometries. However, in 3-D problems requiring a dense discretization grid in phase space (i.e., a large number of spatial meshes, directions, or energy groups), both methods could suffer from the need for large amounts of memory and computation time. In our study, we developed a new hybrid algorithm by combing the two methods into one code, TITAN. The hybrid approach is specifically designed for application to problems containing low scattering regions. A new serial 3-D time-independent transport code has been developed. Under the hybrid approach, the preferred method can be applied in different regions (blocks) within the same problem model. Since the characteristics method is numerically more efficient in low scattering media, the hybrid approach uses a block-oriented characteristics solver in low scattering regions, and a block-oriented SN solver in the remainder of the physical model. In the TITAN code, a physical problem model is divided into a number of coarse meshes (blocks) in Cartesian geometry. Either the characteristics solver or the SN solver can be chosen to solve the LBE within a coarse mesh. A coarse mesh can be filled with fine meshes or characteristic rays depending on the solver assigned to the coarse mesh. Furthermore, with its object-oriented programming paradigm and layered code structure, TITAN allows different individual spatial meshing schemes and angular quadrature sets for each coarse mesh. Two quadrature types (level-symmetric and Legendre-Chebyshev quadrature) along with the ordinate splitting techniques (rectangular splitting and PN-TN splitting) are implemented. In the S N solver, we apply a memory-efficient 'front-line' style paradigm to handle the fine mesh interface fluxes. In the characteristics solver, we have developed a novel 'backward' ray-tracing approach, in which a bi-linear interpolation procedure is used on the incoming boundaries of a coarse mesh. A CPU-efficient scattering kernel is shared in both solvers within the source iteration scheme. Angular and spatial projection techniques are developed to transfer the angular fluxes on the interfaces of coarse meshes with different discretization grids. The performance of the hybrid algorithm is tested in a number of benchmark problems in both nuclear engineering and medical physics fields. Among them are the Kobayashi benchmark problems and a computational tomography (CT) device model. We also developed an extra sweep procedure with the fictitious quadrature technique to calculate angular fluxes along directions of interest. The technique is applied in a single photon emission computed tomography (SPECT) phantom model to simulate the SPECT projection images. The accuracy and efficiency of the TITAN code are demonstrated in these benchmarks along with its scalability. A modified version of the characteristics solver is integrated in the PENTRAN code and tested within the parallel engine of PENTRAN. The limitations on the hybrid algorithm are also studied.

PDE-based geophysical modelling using finite elements: examples from 3D resistivity and 2D magnetotellurics

NASA Astrophysics Data System (ADS)

Schaa, R.; Gross, L.; du Plessis, J.

2016-04-01

We present a general finite-element solver, escript, tailored to solve geophysical forward and inverse modeling problems in terms of partial differential equations (PDEs) with suitable boundary conditions. Escript’s abstract interface allows geoscientists to focus on solving the actual problem without being experts in numerical modeling. General-purpose finite element solvers have found wide use especially in engineering fields and find increasing application in the geophysical disciplines as these offer a single interface to tackle different geophysical problems. These solvers are useful for data interpretation and for research, but can also be a useful tool in educational settings. This paper serves as an introduction into PDE-based modeling with escript where we demonstrate in detail how escript is used to solve two different forward modeling problems from applied geophysics (3D DC resistivity and 2D magnetotellurics). Based on these two different cases, other geophysical modeling work can easily be realized. The escript package is implemented as a Python library and allows the solution of coupled, linear or non-linear, time-dependent PDEs. Parallel execution for both shared and distributed memory architectures is supported and can be used without modifications to the scripts.

IETI – Isogeometric Tearing and Interconnecting

PubMed Central

Kleiss, Stefan K.; Pechstein, Clemens; Jüttler, Bert; Tomar, Satyendra

2012-01-01

Finite Element Tearing and Interconnecting (FETI) methods are a powerful approach to designing solvers for large-scale problems in computational mechanics. The numerical simulation problem is subdivided into a number of independent sub-problems, which are then coupled in appropriate ways. NURBS- (Non-Uniform Rational B-spline) based isogeometric analysis (IGA) applied to complex geometries requires to represent the computational domain as a collection of several NURBS geometries. Since there is a natural decomposition of the computational domain into several subdomains, NURBS-based IGA is particularly well suited for using FETI methods. This paper proposes the new IsogEometric Tearing and Interconnecting (IETI) method, which combines the advanced solver design of FETI with the exact geometry representation of IGA. We describe the IETI framework for two classes of simple model problems (Poisson and linearized elasticity) and discuss the coupling of the subdomains along interfaces (both for matching interfaces and for interfaces with T-joints, i.e. hanging nodes). Special attention is paid to the construction of a suitable preconditioner for the iterative linear solver used for the interface problem. We report several computational experiments to demonstrate the performance of the proposed IETI method. PMID:24511167

Energy consumption optimization of the total-FETI solver by changing the CPU frequency

NASA Astrophysics Data System (ADS)

Horak, David; Riha, Lubomir; Sojka, Radim; Kruzik, Jakub; Beseda, Martin; Cermak, Martin; Schuchart, Joseph

2017-07-01

The energy consumption of supercomputers is one of the critical problems for the upcoming Exascale supercomputing era. The awareness of power and energy consumption is required on both software and hardware side. This paper deals with the energy consumption evaluation of the Finite Element Tearing and Interconnect (FETI) based solvers of linear systems, which is an established method for solving real-world engineering problems. We have evaluated the effect of the CPU frequency on the energy consumption of the FETI solver using a linear elasticity 3D cube synthetic benchmark. In this problem, we have evaluated the effect of frequency tuning on the energy consumption of the essential processing kernels of the FETI method. The paper provides results for two types of frequency tuning: (1) static tuning and (2) dynamic tuning. For static tuning experiments, the frequency is set before execution and kept constant during the runtime. For dynamic tuning, the frequency is changed during the program execution to adapt the system to the actual needs of the application. The paper shows that static tuning brings up 12% energy savings when compared to default CPU settings (the highest clock rate). The dynamic tuning improves this further by up to 3%.

The novel high-performance 3-D MT inverse solver

NASA Astrophysics Data System (ADS)

Kruglyakov, Mikhail; Geraskin, Alexey; Kuvshinov, Alexey

2016-04-01

We present novel, robust, scalable, and fast 3-D magnetotelluric (MT) inverse solver. The solver is written in multi-language paradigm to make it as efficient, readable and maintainable as possible. Separation of concerns and single responsibility concepts go through implementation of the solver. As a forward modelling engine a modern scalable solver extrEMe, based on contracting integral equation approach, is used. Iterative gradient-type (quasi-Newton) optimization scheme is invoked to search for (regularized) inverse problem solution, and adjoint source approach is used to calculate efficiently the gradient of the misfit. The inverse solver is able to deal with highly detailed and contrasting models, allows for working (separately or jointly) with any type of MT responses, and supports massive parallelization. Moreover, different parallelization strategies implemented in the code allow optimal usage of available computational resources for a given problem statement. To parameterize an inverse domain the so-called mask parameterization is implemented, which means that one can merge any subset of forward modelling cells in order to account for (usually) irregular distribution of observation sites. We report results of 3-D numerical experiments aimed at analysing the robustness, performance and scalability of the code. In particular, our computational experiments carried out at different platforms ranging from modern laptops to HPC Piz Daint (6th supercomputer in the world) demonstrate practically linear scalability of the code up to thousands of nodes.

MODFLOW-NWT, A Newton formulation for MODFLOW-2005

USGS Publications Warehouse

Niswonger, Richard G.; Panday, Sorab; Ibaraki, Motomu

2011-01-01

This report documents a Newton formulation of MODFLOW-2005, called MODFLOW-NWT. MODFLOW-NWT is a standalone program that is intended for solving problems involving drying and rewetting nonlinearities of the unconfined groundwater-flow equation. MODFLOW-NWT must be used with the Upstream-Weighting (UPW) Package for calculating intercell conductances in a different manner than is done in the Block-Centered Flow (BCF), Layer Property Flow (LPF), or Hydrogeologic-Unit Flow (HUF; Anderman and Hill, 2000) Packages. The UPW Package treats nonlinearities of cell drying and rewetting by use of a continuous function of groundwater head, rather than the discrete approach of drying and rewetting that is used by the BCF, LPF, and HUF Packages. This further enables application of the Newton formulation for unconfined groundwater-flow problems because conductance derivatives required by the Newton method are smooth over the full range of head for a model cell. The NWT linearization approach generates an asymmetric matrix, which is different from the standard MODFLOW formulation that generates a symmetric matrix. Because all linear solvers presently available for use with MODFLOW-2005 solve only symmetric matrices, MODFLOW-NWT includes two previously developed asymmetric matrix-solver options. The matrix-solver options include a generalized-minimum-residual (GMRES) Solver and an Orthomin / stabilized conjugate-gradient (CGSTAB) Solver. The GMRES Solver is documented in a previously published report, such that only a brief description and input instructions are provided in this report. However, the CGSTAB Solver (called XMD) is documented in this report. Flow-property input for the UPW Package is designed based on the LPF Package and material-property input is identical to that for the LPF Package except that the rewetting and vertical-conductance correction options of the LPF Package are not available with the UPW Package. Input files constructed for the LPF Package can be used with slight modification as input for the UPW Package. This report presents the theory and methods used by MODFLOW-NWT, including the UPW Package. Additionally, this report provides comparisons of the new methodology to analytical solutions of groundwater flow and to standard MODFLOW-2005 results by use of an unconfined aquifer MODFLOW example problem. The standard MODFLOW-2005 simulation uses the LPF Package with the wet/dry option active. A new example problem also is presented to demonstrate MODFLOW-NWT's ability to provide a solution for a difficult unconfined groundwater-flow problem.

Multigrid for hypersonic viscous two- and three-dimensional flows

NASA Technical Reports Server (NTRS)

Turkel, E.; Swanson, R. C.; Vatsa, V. N.; White, J. A.

1991-01-01

The use of a multigrid method with central differencing to solve the Navier-Stokes equations for hypersonic flows is considered. The time dependent form of the equations is integrated with an explicit Runge-Kutta scheme accelerated by local time stepping and implicit residual smoothing. Variable coefficients are developed for the implicit process that removes the diffusion limit on the time step, producing significant improvement in convergence. A numerical dissipation formulation that provides good shock capturing capability for hypersonic flows is presented. This formulation is shown to be a crucial aspect of the multigrid method. Solutions are given for two-dimensional viscous flow over a NACA 0012 airfoil and three-dimensional flow over a blunt biconic.

Seventh Copper Mountain Conference on Multigrid Methods. Part 1

NASA Technical Reports Server (NTRS)

Melson, N. Duane; Manteuffel, Tom A.; McCormick, Steve F.; Douglas, Craig C.

1996-01-01

The Seventh Copper Mountain Conference on Multigrid Methods was held on 2-7 Apr. 1995 at Copper Mountain, Colorado. This book is a collection of many of the papers presented at the conference and so represents the conference proceedings. NASA Langley graciously provided printing of this document so that all of the papers could be presented in a single forum. Each paper was reviewed by a member of the conference organizing committee under the coordination of the editors. The multigrid discipline continues to expand and mature, as is evident from these proceedings. The vibrancy in this field is amply expressed in these important papers, and the collection shows its rapid trend to further diversity and depth.

The Sixth Copper Mountain Conference on Multigrid Methods, part 2

NASA Technical Reports Server (NTRS)

Melson, N. Duane (Editor); Mccormick, Steve F. (Editor); Manteuffel, Thomas A. (Editor)

1993-01-01

The Sixth Copper Mountain Conference on Multigrid Methods was held on April 4-9, 1993, at Copper Mountain, Colorado. This book is a collection of many of the papers presented at the conference and so represents the conference proceedings. NASA Langley graciously provided printing of this document so that all of the papers could be presented in a single forum. Each paper was reviewed by a member of the conference organizing committee under the coordination of the editors. The multigrid discipline continues to expand and mature, as is evident from these proceedings. The vibrancy in this field is amply expressed in these important papers, and the collection clearly shows its rapid trend to further diversity and depth.

Mapping implicit spectral methods to distributed memory architectures

NASA Technical Reports Server (NTRS)

Overman, Andrea L.; Vanrosendale, John

1991-01-01

Spectral methods were proven invaluable in numerical simulation of PDEs (Partial Differential Equations), but the frequent global communication required raises a fundamental barrier to their use on highly parallel architectures. To explore this issue, a 3-D implicit spectral method was implemented on an Intel hypercube. Utilization of about 50 percent was achieved on a 32 node iPSC/860 hypercube, for a 64 x 64 x 64 Fourier-spectral grid; finer grids yield higher utilizations. Chebyshev-spectral grids are more problematic, since plane-relaxation based multigrid is required. However, by using a semicoarsening multigrid algorithm, and by relaxing all multigrid levels concurrently, relatively high utilizations were also achieved in this harder case.

Multigrid techniques for the solution of the passive scalar advection-diffusion equation

NASA Technical Reports Server (NTRS)

Phillips, R. E.; Schmidt, F. W.

1985-01-01

The solution of elliptic passive scalar advection-diffusion equations is required in the analysis of many turbulent flow and convective heat transfer problems. The accuracy of the solution may be affected by the presence of regions containing large gradients of the dependent variables. The multigrid concept of local grid refinement is a method for improving the accuracy of the calculations in these problems. In combination with the multilevel acceleration techniques, an accurate and efficient computational procedure is developed. In addition, a robust implementation of the QUICK finite-difference scheme is described. Calculations of a test problem are presented to quantitatively demonstrate the advantages of the multilevel-multigrid method.

Use of general purpose graphics processing units with MODFLOW

USGS Publications Warehouse

Hughes, Joseph D.; White, Jeremy T.

2013-01-01

To evaluate the use of general-purpose graphics processing units (GPGPUs) to improve the performance of MODFLOW, an unstructured preconditioned conjugate gradient (UPCG) solver has been developed. The UPCG solver uses a compressed sparse row storage scheme and includes Jacobi, zero fill-in incomplete, and modified-incomplete lower-upper (LU) factorization, and generalized least-squares polynomial preconditioners. The UPCG solver also includes options for sequential and parallel solution on the central processing unit (CPU) using OpenMP. For simulations utilizing the GPGPU, all basic linear algebra operations are performed on the GPGPU; memory copies between the central processing unit CPU and GPCPU occur prior to the first iteration of the UPCG solver and after satisfying head and flow criteria or exceeding a maximum number of iterations. The efficiency of the UPCG solver for GPGPU and CPU solutions is benchmarked using simulations of a synthetic, heterogeneous unconfined aquifer with tens of thousands to millions of active grid cells. Testing indicates GPGPU speedups on the order of 2 to 8, relative to the standard MODFLOW preconditioned conjugate gradient (PCG) solver, can be achieved when (1) memory copies between the CPU and GPGPU are optimized, (2) the percentage of time performing memory copies between the CPU and GPGPU is small relative to the calculation time, (3) high-performance GPGPU cards are utilized, and (4) CPU-GPGPU combinations are used to execute sequential operations that are difficult to parallelize. Furthermore, UPCG solver testing indicates GPGPU speedups exceed parallel CPU speedups achieved using OpenMP on multicore CPUs for preconditioners that can be easily parallelized.

Efficient dense blur map estimation for automatic 2D-to-3D conversion

NASA Astrophysics Data System (ADS)

Vosters, L. P. J.; de Haan, G.

2012-03-01

Focus is an important depth cue for 2D-to-3D conversion of low depth-of-field images and video. However, focus can be only reliably estimated on edges. Therefore, Bea et al. [1] first proposed an optimization based approach to propagate focus to non-edge image portions, for single image focus editing. While their approach produces accurate dense blur maps, the computational complexity and memory requirements for solving the resulting sparse linear system with standard multigrid or (multilevel) preconditioning techniques, are infeasible within the stringent requirements of the consumer electronics and broadcast industry. In this paper we propose fast, efficient, low latency, line scanning based focus propagation, which mitigates the need for complex multigrid or (multilevel) preconditioning techniques. In addition we propose facial blur compensation to compensate for false shading edges that cause incorrect blur estimates in people's faces. In general shading leads to incorrect focus estimates, which may lead to unnatural 3D and visual discomfort. Since visual attention mostly tends to faces, our solution solves the most distracting errors. A subjective assessment by paired comparison on a set of challenging low-depth-of-field images shows that the proposed approach achieves equal 3D image quality as optimization based approaches, and that facial blur compensation results in a significant improvement.

Spectral element multigrid. Part 2: Theoretical justification

NASA Technical Reports Server (NTRS)

Maday, Yvon; Munoz, Rafael

1988-01-01

A multigrid algorithm is analyzed which is used for solving iteratively the algebraic system resulting from tha approximation of a second order problem by spectral or spectral element methods. The analysis, performed here in the one dimensional case, justifies the good smoothing properties of the Jacobi preconditioner that was presented in Part 1 of this paper.

Improved Convergence and Robustness of USM3D Solutions on Mixed Element Grids (Invited)

NASA Technical Reports Server (NTRS)

Pandya, Mohagna J.; Diskin, Boris; Thomas, James L.; Frink, Neal T.

2015-01-01

Several improvements to the mixed-element USM3D discretization and defect-correction schemes have been made. A new methodology for nonlinear iterations, called the Hierarchical Adaptive Nonlinear Iteration Scheme (HANIS), has been developed and implemented. It provides two additional hierarchies around a simple and approximate preconditioner of USM3D. The hierarchies are a matrix-free linear solver for the exact linearization of Reynolds-averaged Navier Stokes (RANS) equations and a nonlinear control of the solution update. Two variants of the new methodology are assessed on four benchmark cases, namely, a zero-pressure gradient flat plate, a bump-in-channel configuration, the NACA 0012 airfoil, and a NASA Common Research Model configuration. The new methodology provides a convergence acceleration factor of 1.4 to 13 over the baseline solver technology.

Using parallel banded linear system solvers in generalized eigenvalue problems

NASA Technical Reports Server (NTRS)

Zhang, Hong; Moss, William F.

1993-01-01

Subspace iteration is a reliable and cost effective method for solving positive definite banded symmetric generalized eigenproblems, especially in the case of large scale problems. This paper discusses an algorithm that makes use of two parallel banded solvers in subspace iteration. A shift is introduced to decompose the banded linear systems into relatively independent subsystems and to accelerate the iterations. With this shift, an eigenproblem is mapped efficiently into the memories of a multiprocessor and a high speed-up is obtained for parallel implementations. An optimal shift is a shift that balances total computation and communication costs. Under certain conditions, we show how to estimate an optimal shift analytically using the decay rate for the inverse of a banded matrix, and how to improve this estimate. Computational results on iPSC/2 and iPSC/860 multiprocessors are presented.

PB-AM: An open-source, fully analytical linear poisson-boltzmann solver

DOE Office of Scientific and Technical Information (OSTI.GOV)

Felberg, Lisa E.; Brookes, David H.; Yap, Eng-Hui

2016-11-02

We present the open source distributed software package Poisson-Boltzmann Analytical Method (PB-AM), a fully analytical solution to the linearized Poisson Boltzmann equation. The PB-AM software package includes the generation of outputs files appropriate for visualization using VMD, a Brownian dynamics scheme that uses periodic boundary conditions to simulate dynamics, the ability to specify docking criteria, and offers two different kinetics schemes to evaluate biomolecular association rate constants. Given that PB-AM defines mutual polarization completely and accurately, it can be refactored as a many-body expansion to explore 2- and 3-body polarization. Additionally, the software has been integrated into the Adaptive Poisson-Boltzmannmore » Solver (APBS) software package to make it more accessible to a larger group of scientists, educators and students that are more familiar with the APBS framework.« less

WARP3D-Release 10.8: Dynamic Nonlinear Analysis of Solids using a Preconditioned Conjugate Gradient Software Architecture

NASA Technical Reports Server (NTRS)

Koppenhoefer, Kyle C.; Gullerud, Arne S.; Ruggieri, Claudio; Dodds, Robert H., Jr.; Healy, Brian E.

1998-01-01

This report describes theoretical background material and commands necessary to use the WARP3D finite element code. WARP3D is under continuing development as a research code for the solution of very large-scale, 3-D solid models subjected to static and dynamic loads. Specific features in the code oriented toward the investigation of ductile fracture in metals include a robust finite strain formulation, a general J-integral computation facility (with inertia, face loading), an element extinction facility to model crack growth, nonlinear material models including viscoplastic effects, and the Gurson-Tver-gaard dilatant plasticity model for void growth. The nonlinear, dynamic equilibrium equations are solved using an incremental-iterative, implicit formulation with full Newton iterations to eliminate residual nodal forces. The history integration of the nonlinear equations of motion is accomplished with Newmarks Beta method. A central feature of WARP3D involves the use of a linear-preconditioned conjugate gradient (LPCG) solver implemented in an element-by-element format to replace a conventional direct linear equation solver. This software architecture dramatically reduces both the memory requirements and CPU time for very large, nonlinear solid models since formation of the assembled (dynamic) stiffness matrix is avoided. Analyses thus exhibit the numerical stability for large time (load) steps provided by the implicit formulation coupled with the low memory requirements characteristic of an explicit code. In addition to the much lower memory requirements of the LPCG solver, the CPU time required for solution of the linear equations during each Newton iteration is generally one-half or less of the CPU time required for a traditional direct solver. All other computational aspects of the code (element stiffnesses, element strains, stress updating, element internal forces) are implemented in the element-by- element, blocked architecture. This greatly improves vectorization of the code on uni-processor hardware and enables straightforward parallel-vector processing of element blocks on multi-processor hardware.

Response analysis of a laminar premixed M-flame to flow perturbations using a linearized compressible Navier-Stokes solver

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blanchard, M., E-mail: mathieu.blanchard@ladhyx.polytechnique.fr; Schuller, T.; Centrale-Supélec, Grande Voie des Vignes, 92290 Châtenay-Malabry

2015-04-15

The response of a laminar premixed methane-air flame subjected to flow perturbations around a steady state is examined experimentally and using a linearized compressible Navier-Stokes solver with a one-step chemistry mechanism to describe combustion. The unperturbed flame takes an M-shape stabilized both by a central bluff body and by the external rim of a cylindrical nozzle. This base flow is computed by a nonlinear direct simulation of the steady reacting flow, and the flame topology is shown to qualitatively correspond to experiments conducted under comparable conditions. The flame is then subjected to acoustic disturbances produced at different locations in themore » numerical domain, and its response is examined using the linearized solver. This linear numerical model then allows the componentwise investigation of the effects of flow disturbances on unsteady combustion and the feedback from the flame on the unsteady flow field. It is shown that a wrinkled reaction layer produces hydrodynamic disturbances in the fresh reactant flow field that superimpose on the acoustic field. This phenomenon, observed in several experiments, is fully interpreted here. The additional perturbations convected by the mean flow stem from the feedback of the perturbed flame sheet dynamics onto the flow field by a mechanism similar to that of a perturbed vortex sheet. The different regimes where this mechanism prevails are investigated by examining the phase and group velocities of flow disturbances along an axis oriented along the main direction of the flow in the fresh reactant flow field. It is shown that this mechanism dominates the low-frequency response of the wrinkled shape taken by the flame and, in particular, that it fully determines the dynamics of the flame tip from where the bulk of noise is radiated.« less

A Multigrid NLS-4DVar Data Assimilation Scheme with Advanced Research WRF (ARW)

NASA Astrophysics Data System (ADS)

Zhang, H.; Tian, X.

2017-12-01

The motions of the atmosphere have multiscale properties in space and/or time, and the background error covariance matrix (Β) should thus contain error information at different correlation scales. To obtain an optimal analysis, the multigrid three-dimensional variational data assimilation scheme is used widely when sequentially correcting errors from large to small scales. However, introduction of the multigrid technique into four-dimensional variational data assimilation is not easy, due to its strong dependence on the adjoint model, which has extremely high computational costs in data coding, maintenance, and updating. In this study, the multigrid technique was introduced into the nonlinear least-squares four-dimensional variational assimilation (NLS-4DVar) method, which is an advanced four-dimensional ensemble-variational method that can be applied without invoking the adjoint models. The multigrid NLS-4DVar (MG-NLS-4DVar) scheme uses the number of grid points to control the scale, with doubling of this number when moving from a coarse to a finer grid. Furthermore, the MG-NLS-4DVar scheme not only retains the advantages of NLS-4DVar, but also sufficiently corrects multiscale errors to achieve a highly accurate analysis. The effectiveness and efficiency of the proposed MG-NLS-4DVar scheme were evaluated by several groups of observing system simulation experiments using the Advanced Research Weather Research and Forecasting Model. MG-NLS-4DVar outperformed NLS-4DVar, with a lower computational cost.

Multigrid method based on the transformation-free HOC scheme on nonuniform grids for 2D convection diffusion problems

NASA Astrophysics Data System (ADS)

Ge, Yongbin; Cao, Fujun

2011-05-01

In this paper, a multigrid method based on the high order compact (HOC) difference scheme on nonuniform grids, which has been proposed by Kalita et al. [J.C. Kalita, A.K. Dass, D.C. Dalal, A transformation-free HOC scheme for steady convection-diffusion on non-uniform grids, Int. J. Numer. Methods Fluids 44 (2004) 33-53], is proposed to solve the two-dimensional (2D) convection diffusion equation. The HOC scheme is not involved in any grid transformation to map the nonuniform grids to uniform grids, consequently, the multigrid method is brand-new for solving the discrete system arising from the difference equation on nonuniform grids. The corresponding multigrid projection and interpolation operators are constructed by the area ratio. Some boundary layer and local singularity problems are used to demonstrate the superiority of the present method. Numerical results show that the multigrid method with the HOC scheme on nonuniform grids almost gets as equally efficient convergence rate as on uniform grids and the computed solution on nonuniform grids retains fourth order accuracy while on uniform grids just gets very poor solution for very steep boundary layer or high local singularity problems. The present method is also applied to solve the 2D incompressible Navier-Stokes equations using the stream function-vorticity formulation and the numerical solutions of the lid-driven cavity flow problem are obtained and compared with solutions available in the literature.

An adaptive grid algorithm for one-dimensional nonlinear equations

NASA Technical Reports Server (NTRS)

Gutierrez, William E.; Hills, Richard G.

1990-01-01

Richards' equation, which models the flow of liquid through unsaturated porous media, is highly nonlinear and difficult to solve. Step gradients in the field variables require the use of fine grids and small time step sizes. The numerical instabilities caused by the nonlinearities often require the use of iterative methods such as Picard or Newton interation. These difficulties result in large CPU requirements in solving Richards equation. With this in mind, adaptive and multigrid methods are investigated for use with nonlinear equations such as Richards' equation. Attention is focused on one-dimensional transient problems. To investigate the use of multigrid and adaptive grid methods, a series of problems are studied. First, a multigrid program is developed and used to solve an ordinary differential equation, demonstrating the efficiency with which low and high frequency errors are smoothed out. The multigrid algorithm and an adaptive grid algorithm is used to solve one-dimensional transient partial differential equations, such as the diffusive and convective-diffusion equations. The performance of these programs are compared to that of the Gauss-Seidel and tridiagonal methods. The adaptive and multigrid schemes outperformed the Gauss-Seidel algorithm, but were not as fast as the tridiagonal method. The adaptive grid scheme solved the problems slightly faster than the multigrid method. To solve nonlinear problems, Picard iterations are introduced into the adaptive grid and tridiagonal methods. Burgers' equation is used as a test problem for the two algorithms. Both methods obtain solutions of comparable accuracy for similar time increments. For the Burgers' equation, the adaptive grid method finds the solution approximately three times faster than the tridiagonal method. Finally, both schemes are used to solve the water content formulation of the Richards' equation. For this problem, the adaptive grid method obtains a more accurate solution in fewer work units and less computation time than required by the tridiagonal method. The performance of the adaptive grid method tends to degrade as the solution process proceeds in time, but still remains faster than the tridiagonal scheme.

Time-marching multi-grid seismic tomography

NASA Astrophysics Data System (ADS)

Tong, P.; Yang, D.; Liu, Q.

2016-12-01

From the classic ray-based traveltime tomography to the state-of-the-art full waveform inversion, because of the nonlinearity of seismic inverse problems, a good starting model is essential for preventing the convergence of the objective function toward local minima. With a focus on building high-accuracy starting models, we propose the so-called time-marching multi-grid seismic tomography method in this study. The new seismic tomography scheme consists of a temporal time-marching approach and a spatial multi-grid strategy. We first divide the recording period of seismic data into a series of time windows. Sequentially, the subsurface properties in each time window are iteratively updated starting from the final model of the previous time window. There are at least two advantages of the time-marching approach: (1) the information included in the seismic data of previous time windows has been explored to build the starting models of later time windows; (2) seismic data of later time windows could provide extra information to refine the subsurface images. Within each time window, we use a multi-grid method to decompose the scale of the inverse problem. Specifically, the unknowns of the inverse problem are sampled on a coarse mesh to capture the macro-scale structure of the subsurface at the beginning. Because of the low dimensionality, it is much easier to reach the global minimum on a coarse mesh. After that, finer meshes are introduced to recover the micro-scale properties. That is to say, the subsurface model is iteratively updated on multi-grid in every time window. We expect that high-accuracy starting models should be generated for the second and later time windows. We will test this time-marching multi-grid method by using our newly developed eikonal-based traveltime tomography software package tomoQuake. Real application results in the 2016 Kumamoto earthquake (Mw 7.0) region in Japan will be demonstrated.