Lie-Quan Lee

An Algebraic Substructuring Method for Large-Scale Eigenvalue Calculation

We examine sub-structuring methods for solving large-scale generalized eigenvalue problems from a purely algebraic point of view. We use the term algebraic sub-structuring to refer to the process of applying matrix reordering and partitioning algorithms to divide a large sparse matrix into smaller submatrices from which a subset of spectral components are extracted and combined to provide approximate solutions to the original problem. We are interested in the question of which spectral componentsone should extract from each sub-structure in order to produce an approximate solution to the original problem with a desired level of accuracy. Error estimate for the approximation to the small esteigen pair is developed. The estimate leads to a simple heuristic for choosing spectral components (modes) from each sub-structure. The effectiveness of such a heuristic is demonstrated with numerical examples. We show that algebraic sub-structuring can be effectively used to solve a generalized eigenvalue problem arising from the simulation of an accelerator structure. One interesting characteristic of this application is that the stiffness matrix produced by a hierarchical vector finite elements scheme contains a null space of large dimension. We present an efficient scheme to deflate this null space in the algebraic sub-structuring process.

Omega3P: A Parallel Finite-Element Eigenmode Analysis Code for Accelerator Cavities

Omega3P is a parallel eigenmode calculation code for accelerator cavities in frequency domain analysis using finite-element methods. In this report, we will present detailed finite-element formulations and resulting eigenvalue problems for lossless cavities, cavities with lossy materials, cavities with imperfectly conducting surfaces, and cavities with waveguide coupling. We will discuss the parallel algorithms for solving those eigenvalue problems and demonstrate modeling of accelerator cavities through different examples.

Adjoint methods for electromagnetic shape optimization of the low-loss cavity for the International Linear Collider

We formulate the problem of designing the low-loss cavity for the International Linear Collider (ILC) as an electromagnetic shape optimization problem involving a Maxwell eigenvalue problem. The objective is to maximize the stored energy of a trapped mode in the end cell while maintaining a specified frequency corresponding to the accelerating mode. A continuous adjoint method is presented for computation of the design gradient of the objective and constraint. The gradients are used within a nonlinear optimization scheme to compute the optimal shape for a simplified model of the ILC in a small multiple of the cost of solving the Maxwell eigenvalue problem.

Shape determination for deformed electromagnetic cavities

The measured physical parameters of a superconducting cavity differ from those of the designed ideal cavity. This is due to shape deviations caused by both loose machine tolerances during fabrication and by the tuning process for the accelerating mode. We present a shape determination algorithm to solve for the unknown deviations from the ideal cavity using experimentally measured cavity data. The objective is to match the results of the deformed cavity model to experimental data through least-squares minimization. The inversion variables are unknown shape deformation parameters that describe perturbations of the ideal cavity. The constraint is the Maxwell eigenvalue problem. We solve the nonlinear optimization problem using a line-search based reduced space Gauss-Newton method where we compute shape sensitivities with a discrete adjoint approach. We present two shape determination examples, one from synthetic and the other from experimental data. The results demonstrate that the proposed algorithm is very effective in determining the deformed cavity shape.

Moving curved mesh adaptation for higher-order finite element simulations

Higher-order finite element method requires valid curved meshes in three-dimensional domains to achieve the solution accuracy. When applying adaptive higher-order finite elements in large-scale simulations, complexities that arise include moving the curved mesh adaptation along with the critical domains to achieve computational efficiency. This paper presents a procedure that combines Bézier mesh curving and size-driven mesh adaptation technologies to address those requirements. A moving mesh size field drives a curved mesh modification procedure to generate valid curved meshes that have been successfully analyzed by SLAC National Accelerator Laboratory researchers to simulate the short-range wakefields in particle accelerators. The analysis results for a 8-cavity cryomodule wakefield demonstrate that valid curvilinear meshes not only make the time-domain simulations more reliable, but also improve the computational efficiency up to 30%. The application of moving curved mesh adaptation to an accelerator cavity coupler shows a tenfold reduction in execution time and memory usage without loss in accuracy as compared to uniformly refined meshes.

Solving large sparse linear systems in end-to-end accelerator structure simulations

Summary form only given. We present a case study of solving very large sparse linear systems in end-to-end accelerator structure simulations. Both direct solvers and iterative solvers are investigated. A parallel multilevel preconditioner based on hierarchical finite element basis functions is considered and has been implemented to accelerate the convergence of iterative solvers. A linear system with matrix size 93,147,736 and with 3,964,961,944 nonzeros from 3D electromagnetic finite element discretization has been solved in less than 8 minutes with 1024 CPUs on the NERSC IBM SP. The resource utilization as well as the application performance for these solvers is discussed.

Solving Large Scale Nonlinear Eigenvalue Problem in Next-Generation Accelerator Design

A number of numerical methods, including inverse iteration, method of successive linear problem and nonlinear Arnoldi algorithm, are studied in this paper to solve a large scale nonlinear eigenvalue problem arising from finite element analysis of resonant frequencies and external Q{sub e} values of a waveguide loaded cavity in the next-generation accelerator design. They present a nonlinear Rayleigh-Ritz iterative projection algorithm, NRRIT in short and demonstrate that it is the most promising approach for a model scale cavity design. The NRRIT algorithm is an extension of the nonlinear Arnoldi algorithm due to Voss. Computational challenges of solving such a nonlinear eigenvalue problem for a full scale cavity design are outlined.

State of the art in electromagnetic modeling for the Compact Linear Collider

SLACs Advanced Computations Department (ACD) has developed the parallel 3D electromagnetic time-domain code T3P for simulations of wakefields and transients in complex accelerator structures. T3P is based on state-of-the-art Finite Element methods on unstructured grids and features unconditional stability, quadratic surface approximation and up to 6 th -order vector basis functions for unprecedented simulation accuracy. Optimized for large-scale parallel processing on leadership supercomputing facilities, T3P allows simulations of realistic 3D structures with fast turn-around times, aiding the design of the next generation of accelerator facilities. Applications include simulations of the proposed two-beam accelerator structures for the Compact Linear Collider (CLIC) - wakefield damping in the Power Extraction and Transfer Structure (PETS) and power transfer to the main beam accelerating structures are investigated.

Enabling technologies for petascale electromagnetic accelerator simulation

The SciDAC2 accelerator project at SLAC aims to simulate an entire three-cryomodule radio frequency (RF) unit of the International Linear Collider (ILC) main Linac. Petascale computing resources supported by advances in Applied Mathematics (AM) and Computer Science (CS) and INCITE Program are essential to enable such very large-scale electromagnetic accelerator simulations required by the ILC Global Design Effort. This poster presents the recent advances and achievements in the areas of CS/AM through collaborations.

Parallel extreme pathway computation for metabolic networks

We parallelized the serial extreme pathways algorithm presented by Schilling et al., in J. Theor. Biol. 203 (2000) using the message passing interface (MPI). The parallel algorithm exhibits super-linear scalability because the number of independence tests performed decreases as the number of MPI nodes increases. A subsystem of the metabolic network of Escherichia coli with 140 reactions and 96 metabolites (without preprocessing) is used as a benchmark. The extreme pathways of this system are computed in under 280 seconds using 70 2.4 GHz Intel Pentium-IV CPUs with Myrinet interconnection among the dual-CPU nodes of the Linux cluster.