Ixaru's Extended Frequency Dependent Quadrature Rules for Slater Integrals: Parallel Computation Issues

We describe recent progress of an ongoing research programme aimed at producing computational science software that can exploit high performance architectures in the atomic physics application domain. We examine the computational bottleneck of matrix construction in a suite of two-dimensional R-matrix propagation programs, 2DRMP, that are aimed at creating virtual electron collision experiments on HPC architectures. We build on Ixaru's extended frequency dependent quadrature rules (EFDQR) for Slater integrals and examine the challenge of constructing Hamiltonian matrices in parallel across an m-processor compute node in a block cyclic distribution for subsequent diagonalization by ScaLAPACK.

Fracture mechanics using a 3D composite element

The formulation of a 3D composite element and its use in a mixed-mode fracture mechanics example is presented. This element, like a conventional 3D finite element, has three degrees of freedom per node although, like a plate element, the strains are defined in the local directions of the mid-plane surface. The stress-strain property matrix of this element was modified to decouple the stresses in the local mid-plane and the strains normal to this plane thus preventing the element from being too stiff in bending. A main advantage of this formulation is the ability to model a laminate with a single 3D element. The motivation behind this work was to improve the computational efficiency associated with the calculation of strain energy release rates in laminated structures. A comparison of mixed-mode results using different elements of an in-house finite element package are presented. Good agreement was achieved between the results obtained using the new element and coventional higher-order elements

Progress in Fracture and Damage Mechanics

This special-topic volume reports on new progress made in the analysis and understanding of fracture and damage mechanics. The Finite Element Method is a well-established analytical tool for theoretical fracture analysis. The development of interface elements which combine aspects of both fracture and damage mechanics has permitted the prediction of both crack initiation and propagation. A number of the papers presented here deal with their use and further development.Substantial progress has also been made in the use of the Boundary Element Method for treating crack problems. The inherent mathematical complexity of this method has resulted in somewhat slower progress than that enjoyed by the Finite Element Method and is still the focus of much research. The volume also presents a number of contributions arising from this field. A topic which is closely related to the study of fracture is structural repair. Although repairs are usually effected after fracture occurs, the structural analyst must still ensure that the repair itself is not prone to cracking or other forms of damage. Two approaches to the study of damage in a repaired structure are described in this special volume. These three aspects, taken together, ensure that even the expert will learn something new from this book.

Formal Analysis of MPI-based Parallel Programs

Most parallel computing applications in highperformance computing use the Message Passing Interface (MPI) API. Given the fundamental importance of parallel computing to science and engineering research, application correctness is paramount. MPI was originally developed around 1993 by the MPI Forum, a group of vendors, parallel programming researchers, and computational scientists. However, the document defining the standard is not issued by an official standards organization but has become a de facto standard © 2011 ACM.

Parallel and nonparallel ecological, morphological and genetic divergence in lake-stream stickleback from a single catchment

Parallel phenotypic evolution in similar environments has been well studied in evolutionary biology; however, comparatively little is known about the influence of determinism and historical contingency on the nature, extent and generality of this divergence. Taking advantage of a novel system containing multiple lake-stream stickleback populations, we examined the extent of ecological, morphological and genetic divergence between three-spined stickleback present in parapatric environments. Consistent with other lake-stream studies, we found a shift towards a deeper body and shorter gill rakers in stream fish. Morphological shifts were concurrent with changes in diet, indicated by both stable isotope and stomach contents analysis. Performing a multivariate test for shared and unique components of evolutionary response to the distance gradient from the lake, we found a strong signature of parallel adaptation. Nonparallel divergence was also present, attributable mainly to differences between river locations. We additionally found evidence of genetic substructuring across five lake-stream transitions, indicating that some level of reproductive isolation occurs between populations in these habitats. Strong correlations between pairwise measures of morphological, ecological and genetic distance between lake and stream populations supports the hypothesis that divergent natural selection between habitats drives adaptive divergence and reproductive isolation. Lake-stream stickleback divergence in Lough Neagh provides evidence for the deterministic role of selection and supports the hypothesis that parallel selection in similar environments may initiate parallel speciation.

Parsing parallel evolution:Ecological divergence and differential gene expression in the adaptive radiations of thick-lipped Midas cichlid fishes from Nicaragua

The study of parallel evolution facilitates the discovery of common rules of diversification. Here, we examine the repeated evolution of thick lips in Midas cichlid fishes (the Amphilophus citrinellus species complex) - from two Great Lakes and two crater lakes in Nicaragua - to assess whether similar changes in ecology, phenotypic trophic traits and gene expression accompany parallel trait evolution. Using next-generation sequencing technology, we characterize transcriptome-wide differential gene expression in the lips of wild-caught sympatric thick- and thin-lipped cichlids from all four instances of repeated thick-lip evolution. Six genes (apolipoprotein D, myelin-associated glycoprotein precursor, four-and-a-half LIM domain protein 2, calpain-9, GTPase IMAP family member 8-like and one hypothetical protein) are significantly underexpressed in the thick-lipped morph across all four lakes. However, other aspects of lips' gene expression in sympatric morphs differ in a lake-specific pattern, including the magnitude of differentially expressed genes (97-510). Generally, fewer genes are differentially expressed among morphs in the younger crater lakes than in those from the older Great Lakes. Body shape, lower pharyngeal jaw size and shape, and stable isotopes (dC and dN) differ between all sympatric morphs, with the greatest differentiation in the Great Lake Nicaragua. Some ecological traits evolve in parallel (those related to foraging ecology; e.g. lip size, body and head shape) but others, somewhat surprisingly, do not (those related to diet and food processing; e.g. jaw size and shape, stable isotopes). Taken together, this case of parallelism among thick- and thin-lipped cichlids shows a mosaic pattern of parallel and nonparallel evolution. © 2012 Blackwell Publishing Ltd.

Autonomic management of non-functional concerns in distributed & parallel application programming

An approach to the management of non-functional concerns in massively parallel and/or distributed architectures that marries parallel programming patterns with autonomic computing is presented. The necessity and suitability of the adoption of autonomic techniques are evidenced. Issues arising in the implementation of autonomic managers taking care of multiple concerns and of coordination among hierarchies of such autonomic managers are discussed. Experimental results are presented that demonstrate the feasibility of the approach.