On the efficiency and accuracy of interpolation methods for spectral codes

In this paper a general theory for interpolation methods on a rectangular grid is introduced. By the use of this theory an efficient B-spline based interpolation method for spectral codes is presented. The theory links the order of the interpolation method with its spectral properties. In this way many properties like order of continuity, order of convergence and magnitude of errors can be explained. Furthermore, a fast implementation of the interpolation methods is given. We show that the B-spline based interpolation method has several advantages compared to other methods. First, the order of continuity of the interpolated field is higher than for other methods. Second, only one FFT is needed whereas e.g. Hermite interpolation needs multiple FFTs for computing the derivatives. Third, the interpolation error almost matches the one of Hermite interpolation, a property not reached by other methods investigated.Comment: 19 pages, 5 figure

Reducing phase error in long numerical binary black hole evolutions with sixth order finite differencing

We describe a modification of a fourth-order accurate ``moving puncture'' evolution code, where by replacing spatial fourth-order accurate differencing operators in the bulk of the grid by a specific choice of sixth-order accurate stencils we gain significant improvements in accuracy. We illustrate the performance of the modified algorithm with an equal-mass simulation covering nine orbits.Comment: 13 pages, 6 figure

A multidomain spectral method for solving elliptic equations

We present a new solver for coupled nonlinear elliptic partial differential equations (PDEs). The solver is based on pseudo-spectral collocation with domain decomposition and can handle one- to three-dimensional problems. It has three distinct features. First, the combined problem of solving the PDE, satisfying the boundary conditions, and matching between different subdomains is cast into one set of equations readily accessible to standard linear and nonlinear solvers. Second, touching as well as overlapping subdomains are supported; both rectangular blocks with Chebyshev basis functions as well as spherical shells with an expansion in spherical harmonics are implemented. Third, the code is very flexible: The domain decomposition as well as the distribution of collocation points in each domain can be chosen at run time, and the solver is easily adaptable to new PDEs. The code has been used to solve the equations of the initial value problem of general relativity and should be useful in many other problems. We compare the new method to finite difference codes and find it superior in both runtime and accuracy, at least for the smooth problems considered here.Comment: 31 pages, 8 figure

Distributed-memory large deformation diffeomorphic 3D image registration

We present a parallel distributed-memory algorithm for large deformation diffeomorphic registration of volumetric images that produces large isochoric deformations (locally volume preserving). Image registration is a key technology in medical image analysis. Our algorithm uses a partial differential equation constrained optimal control formulation. Finding the optimal deformation map requires the solution of a highly nonlinear problem that involves pseudo-differential operators, biharmonic operators, and pure advection operators both forward and back- ward in time. A key issue is the time to solution, which poses the demand for efficient optimization methods as well as an effective utilization of high performance computing resources. To address this problem we use a preconditioned, inexact, Gauss-Newton- Krylov solver. Our algorithm integrates several components: a spectral discretization in space, a semi-Lagrangian formulation in time, analytic adjoints, different regularization functionals (including volume-preserving ones), a spectral preconditioner, a highly optimized distributed Fast Fourier Transform, and a cubic interpolation scheme for the semi-Lagrangian time-stepping. We demonstrate the scalability of our algorithm on images with resolution of up to $1024^3$ on the "Maverick" and "Stampede" systems at the Texas Advanced Computing Center (TACC). The critical problem in the medical imaging application domain is strong scaling, that is, solving registration problems of a moderate size of $256^3$---a typical resolution for medical images. We are able to solve the registration problem for images of this size in less than five seconds on 64 x86 nodes of TACC's "Maverick" system.Comment: accepted for publication at SC16 in Salt Lake City, Utah, USA; November 201

Strong and auxiliary forms of the semi-Lagrangian method for incompressible flows

We present a review of the semi-Lagrangian method for advection-diusion and incompressible Navier-Stokes equations discretized with high-order methods. In particular, we compare the strong form where the departure points are computed directly via backwards integration with the auxiliary form where an auxiliary advection equation is solved instead; the latter is also referred to as Operator Integration Factor Splitting (OIFS) scheme. For intermediate size of time steps the auxiliary form is preferrable but for large time steps only the strong form is stable

High accuracy binary black hole simulations with an extended wave zone

We present results from a new code for binary black hole evolutions using the moving-puncture approach, implementing finite differences in generalised coordinates, and allowing the spacetime to be covered with multiple communicating non-singular coordinate patches. Here we consider a regular Cartesian near zone, with adapted spherical grids covering the wave zone. The efficiencies resulting from the use of adapted coordinates allow us to maintain sufficient grid resolution to an artificial outer boundary location which is causally disconnected from the measurement. For the well-studied test-case of the inspiral of an equal-mass non-spinning binary (evolved for more than 8 orbits before merger), we determine the phase and amplitude to numerical accuracies better than 0.010% and 0.090% during inspiral, respectively, and 0.003% and 0.153% during merger. The waveforms, including the resolved higher harmonics, are convergent and can be consistently extrapolated to $r\to\infty$ throughout the simulation, including the merger and ringdown. Ringdown frequencies for these modes (to $(\ell,m)=(6,6)$) match perturbative calculations to within 0.01%, providing a strong confirmation that the remnant settles to a Kerr black hole with irreducible mass $M_{\rm irr} = 0.884355\pm20\times10^{-6}$ and spin $S_f/M_f^2 = 0.686923 \pm 10\times10^{-6}

Quantitative Spectroscopy In 3D

The Advanced Spectrum Synthesis 3D Tool ASSET is introduced. ASSET allows for the accurate and fast calculation of spectra from 3D hydrodynamical models. To achieve the highest numerical accuracy 3(rd)-order Bezier interpolations are employed and all available information from the model grid with respect to the spacial and frequency resolution is exploited. ASSET is fully parallelized with OpenMP and MPI and highly optimized to run at about 25% of peak speed on workstations and clusters. The emergent flux for a single spectral line can be calculated from dozens of snapshots within a few minutes, and the whole spectrum (2 . 10(6) frequencies) can be calculated on a small cluster (a few hundred threads) within a day. The numerical methods, the serial optimization and the parallel implementation are described in some detail.Texas Advanced Computing Center (TACC

Spectral multigrid methods with applications to transonic potential flow

Spectral multigrid methods are demonstrated to be a competitive technique for solving the transonic potential flow equation. The spectral discretization, the relaxation scheme, and the multigrid techniques are described in detail. Significant departures from current approaches are first illustrated on several linear problems. The principal applications and examples, however, are for compressible potential flow. These examples include the relatively challenging case of supercritical flow over a lifting airfoil