Numerical Solution of the Expanding Stellar Atmosphere Problem

In this paper we discuss numerical methods and algorithms for the solution of NLTE stellar atmosphere problems involving expanding atmospheres, e.g., found in novae, supernovae and stellar winds. We show how a scheme of nested iterations can be used to reduce the high dimension of the problem to a number of problems with smaller dimensions. As examples of these sub-problems, we discuss the numerical solution of the radiative transfer equation for relativistically expanding media with spherical symmetry, the solution of the multi-level non-LTE statistical equilibrium problem for extremely large model atoms, and our temperature correction procedure. Although modern iteration schemes are very efficient, parallel algorithms are essential in making large scale calculations feasible, therefore we discuss some parallelization schemes that we have developed.Comment: JCAM, in press. 28 pages, also available at ftp://calvin.physast.uga.edu:/pub/preprints/CompAstro.ps.g

qTorch: The Quantum Tensor Contraction Handler

Classical simulation of quantum computation is necessary for studying the numerical behavior of quantum algorithms, as there does not yet exist a large viable quantum computer on which to perform numerical tests. Tensor network (TN) contraction is an algorithmic method that can efficiently simulate some quantum circuits, often greatly reducing the computational cost over methods that simulate the full Hilbert space. In this study we implement a tensor network contraction program for simulating quantum circuits using multi-core compute nodes. We show simulation results for the Max-Cut problem on 3- through 7-regular graphs using the quantum approximate optimization algorithm (QAOA), successfully simulating up to 100 qubits. We test two different methods for generating the ordering of tensor index contractions: one is based on the tree decomposition of the line graph, while the other generates ordering using a straight-forward stochastic scheme. Through studying instances of QAOA circuits, we show the expected result that as the treewidth of the quantum circuit's line graph decreases, TN contraction becomes significantly more efficient than simulating the whole Hilbert space. The results in this work suggest that tensor contraction methods are superior only when simulating Max-Cut/QAOA with graphs of regularities approximately five and below. Insight into this point of equal computational cost helps one determine which simulation method will be more efficient for a given quantum circuit. The stochastic contraction method outperforms the line graph based method only when the time to calculate a reasonable tree decomposition is prohibitively expensive. Finally, we release our software package, qTorch (Quantum TensOR Contraction Handler), intended for general quantum circuit simulation.Comment: 21 pages, 8 figure

Domain Decomposition for Stochastic Optimal Control

This work proposes a method for solving linear stochastic optimal control (SOC) problems using sum of squares and semidefinite programming. Previous work had used polynomial optimization to approximate the value function, requiring a high polynomial degree to capture local phenomena. To improve the scalability of the method to problems of interest, a domain decomposition scheme is presented. By using local approximations, lower degree polynomials become sufficient, and both local and global properties of the value function are captured. The domain of the problem is split into a non-overlapping partition, with added constraints ensuring $C^1$ continuity. The Alternating Direction Method of Multipliers (ADMM) is used to optimize over each domain in parallel and ensure convergence on the boundaries of the partitions. This results in improved conditioning of the problem and allows for much larger and more complex problems to be addressed with improved performance.Comment: 8 pages. Accepted to CDC 201

High-Quality Shared-Memory Graph Partitioning

Partitioning graphs into blocks of roughly equal size such that few edges run between blocks is a frequently needed operation in processing graphs. Recently, size, variety, and structural complexity of these networks has grown dramatically. Unfortunately, previous approaches to parallel graph partitioning have problems in this context since they often show a negative trade-off between speed and quality. We present an approach to multi-level shared-memory parallel graph partitioning that guarantees balanced solutions, shows high speed-ups for a variety of large graphs and yields very good quality independently of the number of cores used. For example, on 31 cores, our algorithm partitions our largest test instance into 16 blocks cutting less than half the number of edges than our main competitor when both algorithms are given the same amount of time. Important ingredients include parallel label propagation for both coarsening and improvement, parallel initial partitioning, a simple yet effective approach to parallel localized local search, and fast locality preserving hash tables

High performance interior point methods for three-dimensional finite element limit analysis

The ability to obtain rigorous upper and lower bounds on collapse loads of various structures makes finite element limit analysis an attractive design tool. The increasingly high cost of computing those bounds, however, has limited its application on problems in three dimensions. This work reports on a high-performance homogeneous self-dual primal-dual interior point method developed for three-dimensional finite element limit analysis. This implementation achieves convergence times over 4.5× faster than the leading commercial solver across a set of three-dimensional finite element limit analysis test problems, making investigation of three dimensional limit loads viable. A comparison between a range of iterative linear solvers and direct methods used to determine the search direction is also provided, demonstrating the superiority of direct methods for this application. The components of the interior point solver considered include the elimination of and options for handling remaining free variables, multifrontal and supernodal Cholesky comparison for computing the search direction, differences between approximate minimum degree [1] and nested dissection [13] orderings, dealing with dense columns and fixed variables, and accelerating the linear system solver through parallelization. Each of these areas resulted in an improvement on at least one of the problems in the test set, with many achieving gains across the whole set. The serial implementation achieved runtime performance 1.7× faster than the commercial solver Mosek [5]. Compared with the parallel version of Mosek, the use of parallel BLAS routines in the supernodal solver saw a 1.9× speedup, and with a modified version of the GPU-enabled CHOLMOD [11] and a single NVIDIA Tesla K20c this speedup increased to 4.65×

SpECTRE: A Task-based Discontinuous Galerkin Code for Relativistic Astrophysics

We introduce a new relativistic astrophysics code, SpECTRE, that combines a discontinuous Galerkin method with a task-based parallelism model. SpECTRE's goal is to achieve more accurate solutions for challenging relativistic astrophysics problems such as core-collapse supernovae and binary neutron star mergers. The robustness of the discontinuous Galerkin method allows for the use of high-resolution shock capturing methods in regions where (relativistic) shocks are found, while exploiting high-order accuracy in smooth regions. A task-based parallelism model allows efficient use of the largest supercomputers for problems with a heterogeneous workload over disparate spatial and temporal scales. We argue that the locality and algorithmic structure of discontinuous Galerkin methods will exhibit good scalability within a task-based parallelism framework. We demonstrate the code on a wide variety of challenging benchmark problems in (non)-relativistic (magneto)-hydrodynamics. We demonstrate the code's scalability including its strong scaling on the NCSA Blue Waters supercomputer up to the machine's full capacity of 22,380 nodes using 671,400 threads.Comment: 41 pages, 13 figures, and 7 tables. Ancillary data contains simulation input file