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

Interface groups and financial transfer architectures

Analytic execution architectures have been proposed by the same authors as a means to conceptualize the cooperation between heterogeneous collectives of components such as programs, threads, states and services. Interface groups have been proposed as a means to formalize interface information concerning analytic execution architectures. These concepts are adapted to organization architectures with a focus on financial transfers. Interface groups (and monoids) now provide a technique to combine interface elements into interfaces with the flexibility to distinguish between directions of flow dependent on entity naming. The main principle exploiting interface groups is that when composing a closed system of a collection of interacting components, the sum of their interfaces must vanish in the interface group modulo reflection. This certainly matters for financial transfer interfaces. As an example of this, we specify an interface group and within it some specific interfaces concerning the financial transfer architecture for a part of our local academic organization. Financial transfer interface groups arise as a special case of more general service architecture interfaces.Comment: 22 page

ASCR/HEP Exascale Requirements Review Report

This draft report summarizes and details the findings, results, and recommendations derived from the ASCR/HEP Exascale Requirements Review meeting held in June, 2015. The main conclusions are as follows. 1) Larger, more capable computing and data facilities are needed to support HEP science goals in all three frontiers: Energy, Intensity, and Cosmic. The expected scale of the demand at the 2025 timescale is at least two orders of magnitude -- and in some cases greater -- than that available currently. 2) The growth rate of data produced by simulations is overwhelming the current ability, of both facilities and researchers, to store and analyze it. Additional resources and new techniques for data analysis are urgently needed. 3) Data rates and volumes from HEP experimental facilities are also straining the ability to store and analyze large and complex data volumes. Appropriately configured leadership-class facilities can play a transformational role in enabling scientific discovery from these datasets. 4) A close integration of HPC simulation and data analysis will aid greatly in interpreting results from HEP experiments. Such an integration will minimize data movement and facilitate interdependent workflows. 5) Long-range planning between HEP and ASCR will be required to meet HEP's research needs. To best use ASCR HPC resources the experimental HEP program needs a) an established long-term plan for access to ASCR computational and data resources, b) an ability to map workflows onto HPC resources, c) the ability for ASCR facilities to accommodate workflows run by collaborations that can have thousands of individual members, d) to transition codes to the next-generation HPC platforms that will be available at ASCR facilities, e) to build up and train a workforce capable of developing and using simulations and analysis to support HEP scientific research on next-generation systems.Comment: 77 pages, 13 Figures; draft report, subject to further revisio

High Energy Physics Forum for Computational Excellence: Working Group Reports (I. Applications Software II. Software Libraries and Tools III. Systems)

Computing plays an essential role in all aspects of high energy physics. As computational technology evolves rapidly in new directions, and data throughput and volume continue to follow a steep trend-line, it is important for the HEP community to develop an effective response to a series of expected challenges. In order to help shape the desired response, the HEP Forum for Computational Excellence (HEP-FCE) initiated a roadmap planning activity with two key overlapping drivers -- 1) software effectiveness, and 2) infrastructure and expertise advancement. The HEP-FCE formed three working groups, 1) Applications Software, 2) Software Libraries and Tools, and 3) Systems (including systems software), to provide an overview of the current status of HEP computing and to present findings and opportunities for the desired HEP computational roadmap. The final versions of the reports are combined in this document, and are presented along with introductory material.Comment: 72 page

Experiences in Integrated Multi-Domain Service Management

Increased competition, complex service provision chains and integrated service offerings require effective techniques for the rapid integration of telecommunications services and management systems over multiple organisational domains. This paper presents some of the results of practical development work in this area, detailing the technologies and standards used, the architectural approach taken and the application of this approach to specific services. This work covers the integration of multimedia services, broadband networks, service management and network management, though the detailed examples given focus specifically on the integration of services and service management

Exploring the Use of Virtual Worlds as a Scientific Research Platform: The Meta-Institute for Computational Astrophysics (MICA)

We describe the Meta-Institute for Computational Astrophysics (MICA), the first professional scientific organization based exclusively in virtual worlds (VWs). The goals of MICA are to explore the utility of the emerging VR and VWs technologies for scientific and scholarly work in general, and to facilitate and accelerate their adoption by the scientific research community. MICA itself is an experiment in academic and scientific practices enabled by the immersive VR technologies. We describe the current and planned activities and research directions of MICA, and offer some thoughts as to what the future developments in this arena may be.Comment: 15 pages, to appear in the refereed proceedings of "Facets of Virtual Environments" (FaVE 2009), eds. F. Lehmann-Grube, J. Sablating, et al., ICST Lecture Notes Ser., Berlin: Springer Verlag (2009); version with full resolution color figures is available at http://www.mica-vw.org/wiki/index.php/Publication