Effective Computation Resilience in High Performance and Distributed Environments

The work described in this paper aims at effective computation resilience for complex simulations in high performance and distributed environments. Computation resilience is a complicated and delicate area; it deals with many types of simulation cores, many types of data on various input levels and also with many types of end-users, which have different requirements and expectations. Predictions about system and computation behaviors must be done based on deep knowledge about underlying infrastructures, and simulations' mathematical and realization backgrounds. Our conceptual framework is intended to allow independent collaborations between domain experts as end-users and providers of the computational power by taking on all of the deployment troubles arising within a given computing environment. The goal of our work is to provide a generalized approach for effective scalable usage of the computing power and to help domain-experts, so that they could concentrate more intensive on their domain solutions without the need of investing efforts in learning and adapting to the new IT backbone technologies

Enhancing Energy Production with Exascale HPC Methods

High Performance Computing (HPC) resources have become the key actor for achieving more ambitious challenges in many disciplines. In this step beyond, an explosion on the available parallelism and the use of special purpose processors are crucial. With such a goal, the HPC4E project applies new exascale HPC techniques to energy industry simulations, customizing them if necessary, and going beyond the state-of-the-art in the required HPC exascale simulations for different energy sources. In this paper, a general overview of these methods is presented as well as some specific preliminary results.The research leading to these results has received funding from the European Union's Horizon 2020 Programme (2014-2020) under the HPC4E Project (www.hpc4e.eu), grant agreement n° 689772, the Spanish Ministry of Economy and Competitiveness under the CODEC2 project (TIN2015-63562-R), and from the Brazilian Ministry of Science, Technology and Innovation through Rede Nacional de Pesquisa (RNP). Computer time on Endeavour cluster is provided by the Intel Corporation, which enabled us to obtain the presented experimental results in uncertainty quantification in seismic imagingPostprint (author's final draft

Software Simplifies the Sharing of Numerical Models

To ease the sharing of climate models with university students, Goddard Space Flight Center awarded SBIR funding to Reston, Virginia-based Parabon Computation Inc., a company that specializes in cloud computing. The firm developed a software program capable of running climate models over the Internet, and also created an online environment for people to collaborate on developing such models

Progress Towards Petascale Applications in Biology: Status in 2006

Petascale computing is currently a common topic of discussion in the high performance computing community. Biological applications, particularly protein folding, are often given as examples of the need for petascale computing. There are at present biological applications that scale to execution rates of approximately 55 teraflops on a special-purpose supercomputer and 2.2 teraflops on a general-purpose supercomputer. In comparison, Qbox, a molecular dynamics code used to model metals, has an achieved performance of 207.3 teraflops. It may be useful to increase the extent to which operation rates and total calculations are reported in discussion of biological applications, and use total operations (integer and floating point combined) rather than (or in addition to) floating point operations as the unit of measure. Increased reporting of such metrics will enable better tracking of progress as the research community strives for the insights that will be enabled by petascale computing.This research was supported in part by the Indiana Genomics Initiative and the Indiana Metabolomics and Cytomics Initiative. The Indiana Genomics Initiative of Indiana University and the Indiana Metabolomics and Cytomics Initiative of Indiana University are supported in part by Lilly Endowment, Inc. The authors also wish to thank IBM, Inc. for support via Shared University Research Grants and partnerships via IU’s relationship as an IBM Life Sciences Institute of Innovation. Indiana University also thanks the TeraGrid partners; IU’s participation in the TeraGrid is funded by National Science Foundation grant numbers 0338618, 0504075, and 0451237. The early development of this paper was supported by a Fulbright Senior Scholars award from the Council for International Exchange of Scholars (CIES) and the United States Department of State to Dr. Craig A. Stewart; Matthias Mueller and the Technische Universität Dresden were hosts. Many reviewers contributed to the improvement of the ideas expressed in this paper and are gratefully appreciated; Thom Dunning, Robert Germain, Chris Mueller, Jim Phillips, Richard Repasky, Ralph Roskies, and Allan Snavely are thanked particularly for their insights

Research and Education in Computational Science and Engineering

Over the past two decades the field of computational science and engineering (CSE) has penetrated both basic and applied research in academia, industry, and laboratories to advance discovery, optimize systems, support decision-makers, and educate the scientific and engineering workforce. Informed by centuries of theory and experiment, CSE performs computational experiments to answer questions that neither theory nor experiment alone is equipped to answer. CSE provides scientists and engineers of all persuasions with algorithmic inventions and software systems that transcend disciplines and scales. Carried on a wave of digital technology, CSE brings the power of parallelism to bear on troves of data. Mathematics-based advanced computing has become a prevalent means of discovery and innovation in essentially all areas of science, engineering, technology, and society; and the CSE community is at the core of this transformation. However, a combination of disruptive developments---including the architectural complexity of extreme-scale computing, the data revolution that engulfs the planet, and the specialization required to follow the applications to new frontiers---is redefining the scope and reach of the CSE endeavor. This report describes the rapid expansion of CSE and the challenges to sustaining its bold advances. The report also presents strategies and directions for CSE research and education for the next decade.Comment: Major revision, to appear in SIAM Revie

A Concept of Innovation Hub for Smart Applications, Enabling Pro-active Approach to Urban Policy and Planning Processes

In recent years, the question of how to develop smart applications in environments where solutions already exist has become a challenge for many trends of technological transformation e.g. in industry, transport or smart cities. The latter trend is additionally very sensitive because of the social dimension of the impact of transformation, where the human being should be in the centre of attention. In this paper we present the concept of the Innovation Hub in Poznań, which is a framework for digital transformation focused on integration and development towards proactive digital city system. Starting from the pillars of the digital transformation, i.e. the City Development Strategy and existing well-functioning smart city components, we justify the evolutionary model of transformation by creating favorable conditions for the implementation of Proof of Concept projects with the active participation of residents. In addition, we point out examples of projects that were linked to decision-making processes