Use of massively parallel computing to improve modelling accuracy within the nuclear sector

The extreme environments found within the nuclear sector impose large safety factors on modelling analyses to ensure components operate in their desired manner. Improving analysis accuracy has clear value of increasing the design space that could lead to greater efficiency and reliability. Novel materials for new reactor designs often exhibit non-linear behaviour; additionally material properties evolve due to in-service damage a combination that is difficult to model accurately. To better describe these complex behaviours a range of modelling techniques previously under-pursued due to computational expense are being developed. This work presents recent advancements in three techniques: Uncertainty quantification (UQ); Cellular automata finite element (CAFE); Image based finite element methods (IBFEM). Case studies are presented demonstrating their suitability for use in nuclear engineering made possible by advancements in parallel computing hardware that is projected to be available for industry within the next decade costing of the order of $100k

Modelling fracture in heterogeneous materials on HPC systems using a hybrid MPI/Fortran coarray multi-scale CAFE framework

A 3D multi-scale cellular automata finite element (CAFE) framework for modelling fracture in heterogeneous materials is described. The framework is implemented in a hybrid MPI/Fortran coarray code for efficient parallel execution on HPC platforms. Two open source BSD licensed libraries developed by the authors in modern Fortran were used: CGPACK, implementing cellular automata (CA) using Fortran coarrays, and ParaFEM, implementing finite elements (FE) using MPI. The framework implements a two-way concurrent hierarchical information exchange between the structural level (FE) and the microstructure (CA). MPI to coarrays interface and data structures are described. The CAFE framework is used to predict transgranular cleavage propagation in a polycrystalline iron round bar under tension. Novel results enabled by this CAFE framework include simulation of progressive cleavage propagation through individual grains and across grain boundaries, and emergence of a macro-crack from merging of cracks on preferentially oriented cleavage planes in individual crystals. Nearly ideal strong scaling up to at least tens of thousands of cores was demonstrated by CGPACK and by ParaFEM in isolation in prior work on Cray XE6. Cray XC30 and XC40 platforms and CrayPAT profiling were used in this work. Initially the strong scaling limit of hybrid CGPACK/ParaFEM CAFE model was 2000 cores. After replacing all-to-all communication patterns with the nearest neighbour algorithms the strong scaling limit on Cray XC30 was increased to 7000 cores. TAU profiling on non-Cray systems identified deficiencies in Intel Fortran 16 optimisation of remote coarray operations. Finally, coarray synchronisation challenges and opportunities for thread parallelisation in CA are discussed

High-performance computing for data analytics

One of the main challenges in data analytics is that discovering structures and patterns in complex datasets is a computer-intensive task. Recent advances in high-performance computing provide part of the solution. Multicore systems are now more affordable and more accessible. In this paper, we investigate how this can be used to develop more advanced methods for data analytics. We focus on two specific areas: model-driven analysis and data mining using optimisation techniques

INDEMICS: An Interactive High-Performance Computing Framework for Data Intensive Epidemic Modeling

We describe the design and prototype implementation of Indemics (_Interactive; Epi_demic; _Simulation;)—a modeling environment utilizing high-performance computing technologies for supporting complex epidemic simulations. Indemics can support policy analysts and epidemiologists interested in planning and control of pandemics. Indemics goes beyond traditional epidemic simulations by providing a simple and powerful way to represent and analyze policy-based as well as individual-based adaptive interventions. Users can also stop the simulation at any point, assess the state of the simulated system, and add additional interventions. Indemics is available to end-users via a web-based interface. Detailed performance analysis shows that Indemics greatly enhances the capability and productivity of simulating complex intervention strategies with a marginal decrease in performance. We also demonstrate how Indemics was applied in some real case studies where complex interventions were implemented

Implementing sub steps in a parallel automata cellular model

Computer simulations using Cellular Automata (CA) have been applied with considerable success in different scientific areas. In this work we use CA in order to specify and implement a simulation model that allows to investigate behavioural dynamics for pedestrians in an emergency evacuation. A CA model is discrete and handled by rules. However several aspects of the crown behaviour should appear as a continuous phenomenon. In this paper we implement the sub steps technique in order to solve an unexpected phenomenon: the formation of holes (empty cells) both around the exit and mixed in the crowd evacuation. The holes occur when individuals of consecutive cells want move towards an exit. Additionally, the methodology allowed us to include, as a new parameter of the model, speeds associated to the pedestrians. Due to the incorporation of new features, the model complexity increases. We apply a parallel technique in order to accelerate the simulation and take advantage of modern computer architectures. We test our approaches to several environment configurations achieving important reduction of simulation time and the total evacuation time.Presentado en el XI Workshop Procesamiento Distribuido y Paralelo (WPDP)Red de Universidades con Carreras en Informática (RedUNCI

Effective Use of Multicore Clusters in Parallel Cellular Automata

Cellular automata provide an abstract model of parallel computation that can be effectively used for modeling and simulation of complex phenomena and systems. We start from a template designed to facilitate faster D-dimensional cellular automata application development. The key for the use of the template is to achieve an efficient implementation, irrespective of the application specific details. In the parallel implementation on a cluster was important to consider issues such as task and data decomposition. With multicore clusters, new problems have emerged. The increasing numbers of cores per node, caches and shared memory inside the nodes, has led to the formation of a new hierarchy of access to processors. In this work we discuss and evaluate strategies that will be important in optimizing prototype to run on multicore cluster. The underlying idea in our proposal is the establishment of a relation among parallel processes based on the communication topology that arises in the implementation of task division functions. We propose that this relation can efficiently map on the multicore cluster topology. We introduce a new mapping strategy that can obtain benefit in the performance by adapting its communication pattern to the hardware affinities among processes allocated in different cores. We apply our approach to a two-dimensional application achieving sensible execution time reduction.Sociedad Argentina de Informática e Investigación Operativ

High-performance computing and communication models for solving the complex interdisciplinary problems on DPCS

The paper presents some advanced high performance (HPC) and parallel computing (PC) methodologies for solving a large space complex problem involving the integrated difference research areas. About eight interdisciplinary problems will be accurately solved on multiple computers communicating over the local area network. The mathematical modeling and a large sparse simulation of the interdisciplinary effort involve the area of science, engineering, biomedical, nanotechnology, software engineering, agriculture, image processing and urban planning. The specific methodologies of PC software under consideration include PVM, MPI, LUNA, MDC, OpenMP, CUDA and LINDA integrated with COMSOL and C++/C. There are different communication models of parallel programming, thus some definitions of parallel processing, distributed processing and memory types are explained for understanding the main contribution of this paper. The matching between the methodology of PC and the large sparse application depends on the domain of solution, the dimension of the targeted area, computational and communication pattern, the architecture of distributed parallel computing systems (DPCS), the structure of computational complexity and communication cost. The originality of this paper lies in obtaining the complex numerical model dealing with a large scale partial differential equation (PDE), discretization of finite difference (FDM) or finite element (FEM) methods, numerical simulation, high-performance simulation and performance measurement. The simulation of PDE will perform by sequential and parallel algorithms to visualize the complex model in high-resolution quality. In the context of a mathematical model, various independent and dependent parameters present the complex and real phenomena of the interdisciplinary application. As a model executes, these parameters can be manipulated and changed. As an impact, some chemical or mechanical properties can be predicted based on the observation of parameter changes. The methodologies of parallel programs build on the client-server model, slave-master model and fragmented model. HPC of the communication model for solving the interdisciplinary problems above will be analyzed using a flow of the algorithm, numerical analysis and the comparison of parallel performance evaluations. In conclusion, the integration of HPC, communication model, PC software, performance and numerical analysis happens to be an important approach to fulfill the matching requirement and optimize the solution of complex interdisciplinary problems