BOSS-LDG: A Novel Computational Framework that Brings Together Blue Waters, Open Science Grid, Shifter and the LIGO Data Grid to Accelerate Gravitational Wave Discovery

We present a novel computational framework that connects Blue Waters, the NSF-supported, leadership-class supercomputer operated by NCSA, to the Laser Interferometer Gravitational-Wave Observatory (LIGO) Data Grid via Open Science Grid technology. To enable this computational infrastructure, we configured, for the first time, a LIGO Data Grid Tier-1 Center that can submit heterogeneous LIGO workflows using Open Science Grid facilities. In order to enable a seamless connection between the LIGO Data Grid and Blue Waters via Open Science Grid, we utilize Shifter to containerize LIGO's workflow software. This work represents the first time Open Science Grid, Shifter, and Blue Waters are unified to tackle a scientific problem and, in particular, it is the first time a framework of this nature is used in the context of large scale gravitational wave data analysis. This new framework has been used in the last several weeks of LIGO's second discovery campaign to run the most computationally demanding gravitational wave search workflows on Blue Waters, and accelerate discovery in the emergent field of gravitational wave astrophysics. We discuss the implications of this novel framework for a wider ecosystem of Higher Performance Computing users.Comment: 10 pages, 10 figures. Accepted as a Full Research Paper to the 13th IEEE International Conference on eScienc

Interconnection networks for parallel and distributed computing

Parallel computers are generally either shared-memory machines or distributed- memory machines. There are currently technological limitations on shared-memory architectures and so parallel computers utilizing a large number of processors tend tube distributed-memory machines. We are concerned solely with distributed-memory multiprocessors. In such machines, the dominant factor inhibiting faster global computations is inter-processor communication. Communication is dependent upon the topology of the interconnection network, the routing mechanism, the flow control policy, and the method of switching. We are concerned with issues relating to the topology of the interconnection network. The choice of how we connect processors in a distributed-memory multiprocessor is a fundamental design decision. There are numerous, often conflicting, considerations to bear in mind. However, there does not exist an interconnection network that is optimal on all counts and trade-offs have to be made. A multitude of interconnection networks have been proposed with each of these networks having some good (topological) properties and some not so good. Existing noteworthy networks include trees, fat-trees, meshes, cube-connected cycles, butterflies, Möbius cubes, hypercubes, augmented cubes, k-ary n-cubes, twisted cubes, n-star graphs, (n, k)-star graphs, alternating group graphs, de Bruijn networks, and bubble-sort graphs, to name but a few. We will mainly focus on k-ary n-cubes and (n, k)-star graphs in this thesis. Meanwhile, we propose a new interconnection network called augmented k-ary n- cubes. The following results are given in the thesis.1. Let k ≥ 4 be even and let n ≥ 2. Consider a faulty k-ary n-cube Q(^k_n) in which the number of node faults f(_n) and the number of link faults f(_e) are such that f(_n) + f(_e) ≤ 2n - 2. We prove that given any two healthy nodes s and e of Q(^k_n), there is a path from s to e of length at least k(^n) - 2f(_n) - 1 (resp. k(^n) - 2f(_n) - 2) if the nodes s and e have different (resp. the same) parities (the parity of a node Q(^k_n) in is the sum modulo 2 of the elements in the n-tuple over 0, 1, ∙∙∙ , k - 1 representing the node). Our result is optimal in the sense that there are pairs of nodes and fault configurations for which these bounds cannot be improved, and it answers questions recently posed by Yang, Tan and Hsu, and by Fu. Furthermore, we extend known results, obtained by Kim and Park, for the case when n = 2.2. We give precise solutions to problems posed by Wang, An, Pan, Wang and Qu and by Hsieh, Lin and Huang. In particular, we show that Q(^k_n) is bi-panconnected and edge-bipancyclic, when k ≥ 3 and n ≥ 2, and we also show that when k is odd, Q(^k_n) is m-panconnected, for m = (^n(k - 1) + 2k - 6’ / ‘_2), and (k -1) pancyclic (these bounds are optimal). We introduce a path-shortening technique, called progressive shortening, and strengthen existing results, showing that when paths are formed using progressive shortening then these paths can be efficiently constructed and used to solve a problem relating to the distributed simulation of linear arrays and cycles in a parallel machine whose interconnection network is Q(^k_n) even in the presence of a faulty processor.3. We define an interconnection network AQ(^k_n) which we call the augmented k-ary n-cube by extending a k-ary n-cube in a manner analogous to the existing extension of an n-dimensional hypercube to an n-dimensional augmented cube. We prove that the augmented k-ary n-cube Q(^k_n) has a number of attractive properties (in the context of parallel computing). For example, we show that the augmented k-ary n-cube Q(^k_n) - is a Cayley graph (and so is vertex-symmetric); has connectivity 4n - 2, and is such that we can build a set of 4n - 2 mutually disjoint paths joining any two distinct vertices so that the path of maximal length has length at most max{{n- l)k- (n-2), k + 7}; has diameter [(^k) / (_3)] + [(^k - 1) /( _3)], when n = 2; and has diameter at most (^k) / (_4) (n+ 1), for n ≥ 3 and k even, and at most [(^k)/ (_4) (n + 1) + (^n) / (_4), for n ^, for n ≥ 3 and k odd.4. We present an algorithm which given a source node and a set of n - 1 target nodes in the (n, k)-star graph S(_n,k) where all nodes are distinct, builds a collection of n - 1 node-disjoint paths, one from each target node to the source. The collection of paths output from the algorithm is such that each path has length at most 6k - 7, and the algorithm has time complexity O(k(^3)n(^4))

Switching to nonhyperbolic cycles from codimension two bifurcations of equilibria of delay differential equations

In this paper we perform the parameter-dependent center manifold reduction near the generalized Hopf (Bautin), fold-Hopf, Hopf-Hopf and transcritical-Hopf bifurcations in delay differential equations (DDEs). This allows us to initialize the continuation of codimension one equilibria and cycle bifurcations emanating from these codimension two bifurcation points. The normal form coefficients are derived in the functional analytic perturbation framework for dual semigroups (sun-star calculus) using a normalization technique based on the Fredholm alternative. The obtained expressions give explicit formulas which have been implemented in the freely available numerical software package DDE-BifTool. While our theoretical results are proven to apply more generally, the software implementation and examples focus on DDEs with finitely many discrete delays. Together with the continuation capabilities of DDE-BifTool, this provides a powerful tool to study the dynamics near equilibria of such DDEs. The effectiveness is demonstrated on various models

Steiner Distance in Product Networks

For a connected graph $G$ of order at least $2$ and $S\subseteq V(G)$, the \emph{Steiner distance} $d_G(S)$ among the vertices of $S$ is the minimum size among all connected subgraphs whose vertex sets contain $S$. Let $n$ and $k$ be two integers with $2\leq k\leq n$. Then the \emph{Steiner $k$-eccentricity $e_k(v)$} of a vertex $v$ of $G$ is defined by $e_k(v)=\max \{d_G(S)\,|\,S\subseteq V(G), \ |S|=k, \ and \ v\in S\}$. Furthermore, the \emph{Steiner $k$-diameter} of $G$ is $sdiam_k(G)=\max \{e_k(v)\,|\, v\in V(G)\}$. In this paper, we investigate the Steiner distance and Steiner $k$-diameter of Cartesian and lexicographical product graphs. Also, we study the Steiner $k$-diameter of some networks.Comment: 29 pages, 4 figure

SKIRT: hybrid parallelization of radiative transfer simulations

We describe the design, implementation and performance of the new hybrid parallelization scheme in our Monte Carlo radiative transfer code SKIRT, which has been used extensively for modeling the continuum radiation of dusty astrophysical systems including late-type galaxies and dusty tori. The hybrid scheme combines distributed memory parallelization, using the standard Message Passing Interface (MPI) to communicate between processes, and shared memory parallelization, providing multiple execution threads within each process to avoid duplication of data structures. The synchronization between multiple threads is accomplished through atomic operations without high-level locking (also called lock-free programming). This improves the scaling behavior of the code and substantially simplifies the implementation of the hybrid scheme. The result is an extremely flexible solution that adjusts to the number of available nodes, processors and memory, and consequently performs well on a wide variety of computing architectures.Comment: 21 pages, 20 figure

Mobile setup for synchrotron based in situ characterization during thermal and plasma-enhanced atomic layer deposition

We report the design of a mobile setup for synchrotron based in situ studies during atomic layer processing. The system was designed to facilitate in situ grazing incidence small angle x-ray scattering (GISAXS), x-ray fluorescence (XRF), and x-ray absorption spectroscopy measurements at synchrotron facilities. The setup consists of a compact high vacuum pump-type reactor for atomic layer deposition (ALD). The presence of a remote radio frequency plasma source enables in situ experiments during both thermal as well as plasma-enhanced ALD. The system has been successfully installed at different beam line end stations at the European Synchrotron Radiation Facility and SOLEIL synchrotrons. Examples are discussed of in situ GISAXS and XRF measurements during thermal and plasma-enhanced ALD growth of ruthenium from RuO4 (ToRuS™, Air Liquide) and H2 or H2 plasma, providing insights in the nucleation behavior of these processes