Application of technology developed for flight simulation at NASA. Langley Research Center

In order to meet the stringent time-critical requirements for real-time man-in-the-loop flight simulation, computer processing operations including mathematical model computation and data input/output to the simulators must be deterministic and be completed in as short a time as possible. Personnel at NASA's Langley Research Center are currently developing the use of supercomputers for simulation mathematical model computation for real-time simulation. This, coupled with the use of an open systems software architecture, will advance the state-of-the-art in real-time flight simulation

MPWide: a light-weight library for efficient message passing over wide area networks

We present MPWide, a light weight communication library which allows efficient message passing over a distributed network. MPWide has been designed to connect application running on distributed (super)computing resources, and to maximize the communication performance on wide area networks for those without administrative privileges. It can be used to provide message-passing between application, move files, and make very fast connections in client-server environments. MPWide has already been applied to enable distributed cosmological simulations across up to four supercomputers on two continents, and to couple two different bloodflow simulations to form a multiscale simulation.Comment: accepted by the Journal Of Open Research Software, 13 pages, 4 figures, 1 tabl

Application of Supercomputer Technologies for Simulation of Socio-Economic Systems

To date, an extensive experience has been accumulated in investigation of problems related to quality, assessment of management systems, modeling of economic system sustainability. The studies performed have created a basis for formation of a new research area — Economics of Quality. Its tools allow to use opportunities of model simulation for construction of the mathematical models adequately reflecting the role of quality in natural, technical, social regularities of functioning of the complex socioeconomic systems. Extensive application and development of models, and also system modeling with use of supercomputer technologies, on our deep belief, will bring the conducted researches of social and economic systems to essentially new level. Moreover, the current scientific research makes a significant contribution to model simulation of multi-agent social systems and that isn’t less important, it belongs to the priority areas in development of science and technology in our country. This article is devoted to the questions of supercomputer technologies application in public sciences, first of all, — regarding technical realization of the large-scale agent-focused models (AFM). The essence of this tool is that owing to increase in power of computers it became possible to describe the behavior of many separate fragments of a difficult system, as social and economic systems represent. The article also deals with the experience of foreign scientists and practicians in launching the AFM on supercomputers, and also the example of AFM developed in CEMI RAS, stages and methods of effective calculating kernel display of multi-agent system on architecture of a modern supercomputer will be analyzed. The experiments on the basis of model simulation on forecasting the population of St. Petersburg according to three scenarios as one of the major factors influencing the development of social and economic system and quality of life of the population are presented in the conclusion

FAST: A multi-processed environment for visualization of computational fluid dynamics

Three-dimensional, unsteady, multi-zoned fluid dynamics simulations over full scale aircraft are typical of the problems being investigated at NASA Ames' Numerical Aerodynamic Simulation (NAS) facility on CRAY2 and CRAY-YMP supercomputers. With multiple processor workstations available in the 10-30 Mflop range, we feel that these new developments in scientific computing warrant a new approach to the design and implementation of analysis tools. These larger, more complex problems create a need for new visualization techniques not possible with the existing software or systems available as of this writing. The visualization techniques will change as the supercomputing environment, and hence the scientific methods employed, evolves even further. The Flow Analysis Software Toolkit (FAST), an implementation of a software system for fluid mechanics analysis, is discussed

A review of High Performance Computing foundations for scientists

The increase of existing computational capabilities has made simulation emerge as a third discipline of Science, lying midway between experimental and purely theoretical branches [1, 2]. Simulation enables the evaluation of quantities which otherwise would not be accessible, helps to improve experiments and provides new insights on systems which are analysed [3-6]. Knowing the fundamentals of computation can be very useful for scientists, for it can help them to improve the performance of their theoretical models and simulations. This review includes some technical essentials that can be useful to this end, and it is devised as a complement for researchers whose education is focused on scientific issues and not on technological respects. In this document we attempt to discuss the fundamentals of High Performance Computing (HPC) [7] in a way which is easy to understand without much previous background. We sketch the way standard computers and supercomputers work, as well as discuss distributed computing and discuss essential aspects to take into account when running scientific calculations in computers.Comment: 33 page

A pilgrimage to gravity on GPUs

In this short review we present the developments over the last 5 decades that have led to the use of Graphics Processing Units (GPUs) for astrophysical simulations. Since the introduction of NVIDIA's Compute Unified Device Architecture (CUDA) in 2007 the GPU has become a valuable tool for N-body simulations and is so popular these days that almost all papers about high precision N-body simulations use methods that are accelerated by GPUs. With the GPU hardware becoming more advanced and being used for more advanced algorithms like gravitational tree-codes we see a bright future for GPU like hardware in computational astrophysics.Comment: To appear in: European Physical Journal "Special Topics" : "Computer Simulations on Graphics Processing Units" . 18 pages, 8 figure

Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS

GROMACS is a widely used package for biomolecular simulation, and over the last two decades it has evolved from small-scale efficiency to advanced heterogeneous acceleration and multi-level parallelism targeting some of the largest supercomputers in the world. Here, we describe some of the ways we have been able to realize this through the use of parallelization on all levels, combined with a constant focus on absolute performance. Release 4.6 of GROMACS uses SIMD acceleration on a wide range of architectures, GPU offloading acceleration, and both OpenMP and MPI parallelism within and between nodes, respectively. The recent work on acceleration made it necessary to revisit the fundamental algorithms of molecular simulation, including the concept of neighborsearching, and we discuss the present and future challenges we see for exascale simulation - in particular a very fine-grained task parallelism. We also discuss the software management, code peer review and continuous integration testing required for a project of this complexity.Comment: EASC 2014 conference proceedin

21st Century Simulation: Exploiting High Performance Computing and Data Analysis

This paper identifies, defines, and analyzes the limitations imposed on Modeling and Simulation by outmoded paradigms in computer utilization and data analysis. The authors then discuss two emerging capabilities to overcome these limitations: High Performance Parallel Computing and Advanced Data Analysis. First, parallel computing, in supercomputers and Linux clusters, has proven effective by providing users an advantage in computing power. This has been characterized as a ten-year lead over the use of single-processor computers. Second, advanced data analysis techniques are both necessitated and enabled by this leap in computing power. JFCOM's JESPP project is one of the few simulation initiatives to effectively embrace these concepts. The challenges facing the defense analyst today have grown to include the need to consider operations among non-combatant populations, to focus on impacts to civilian infrastructure, to differentiate combatants from non-combatants, and to understand non-linear, asymmetric warfare. These requirements stretch both current computational techniques and data analysis methodologies. In this paper, documented examples and potential solutions will be advanced. The authors discuss the paths to successful implementation based on their experience. Reviewed technologies include parallel computing, cluster computing, grid computing, data logging, OpsResearch, database advances, data mining, evolutionary computing, genetic algorithms, and Monte Carlo sensitivity analyses. The modeling and simulation community has significant potential to provide more opportunities for training and analysis. Simulations must include increasingly sophisticated environments, better emulations of foes, and more realistic civilian populations. Overcoming the implementation challenges will produce dramatically better insights, for trainees and analysts. High Performance Parallel Computing and Advanced Data Analysis promise increased understanding of future vulnerabilities to help avoid unneeded mission failures and unacceptable personnel losses. The authors set forth road maps for rapid prototyping and adoption of advanced capabilities. They discuss the beneficial impact of embracing these technologies, as well as risk mitigation required to ensure success

Simulating the universe on an intercontinental grid of supercomputers

Understanding the universe is hampered by the elusiveness of its most common constituent, cold dark matter. Almost impossible to observe, dark matter can be studied effectively by means of simulation and there is probably no other research field where simulation has led to so much progress in the last decade. Cosmological N-body simulations are an essential tool for evolving density perturbations in the nonlinear regime. Simulating the formation of large-scale structures in the universe, however, is still a challenge due to the enormous dynamic range in spatial and temporal coordinates, and due to the enormous computer resources required. The dynamic range is generally dealt with by the hybridization of numerical techniques. We deal with the computational requirements by connecting two supercomputers via an optical network and make them operate as a single machine. This is challenging, if only for the fact that the supercomputers of our choice are separated by half the planet, as one is located in Amsterdam and the other is in Tokyo. The co-scheduling of the two computers and the 'gridification' of the code enables us to achieve a 90% efficiency for this distributed intercontinental supercomputer.Comment: Accepted for publication in IEEE Compute