A Domain-Specific Language and Editor for Parallel Particle Methods

Domain-specific languages (DSLs) are of increasing importance in scientific high-performance computing to reduce development costs, raise the level of abstraction and, thus, ease scientific programming. However, designing and implementing DSLs is not an easy task, as it requires knowledge of the application domain and experience in language engineering and compilers. Consequently, many DSLs follow a weak approach using macros or text generators, which lack many of the features that make a DSL a comfortable for programmers. Some of these features---e.g., syntax highlighting, type inference, error reporting, and code completion---are easily provided by language workbenches, which combine language engineering techniques and tools in a common ecosystem. In this paper, we present the Parallel Particle-Mesh Environment (PPME), a DSL and development environment for numerical simulations based on particle methods and hybrid particle-mesh methods. PPME uses the meta programming system (MPS), a projectional language workbench. PPME is the successor of the Parallel Particle-Mesh Language (PPML), a Fortran-based DSL that used conventional implementation strategies. We analyze and compare both languages and demonstrate how the programmer's experience can be improved using static analyses and projectional editing. Furthermore, we present an explicit domain model for particle abstractions and the first formal type system for particle methods.Comment: Submitted to ACM Transactions on Mathematical Software on Dec. 25, 201

Leveraging legacy codes to distributed problem solving environments: A web service approach

This paper describes techniques used to leverage high performance legacy codes as CORBA components to a distributed problem solving environment. It first briefly introduces the software architecture adopted by the environment. Then it presents a CORBA oriented wrapper generator (COWG) which can be used to automatically wrap high performance legacy codes as CORBA components. Two legacy codes have been wrapped with COWG. One is an MPI-based molecular dynamic simulation (MDS) code, the other is a finite element based computational fluid dynamics (CFD) code for simulating incompressible Navier-Stokes flows. Performance comparisons between runs of the MDS CORBA component and the original MDS legacy code on a cluster of workstations and on a parallel computer are also presented. Wrapped as CORBA components, these legacy codes can be reused in a distributed computing environment. The first case shows that high performance can be maintained with the wrapped MDS component. The second case shows that a Web user can submit a task to the wrapped CFD component through a Web page without knowing the exact implementation of the component. In this way, a user’s desktop computing environment can be extended to a high performance computing environment using a cluster of workstations or a parallel computer

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

Well-Formed and Scalable Invasive Software Composition

Software components provide essential means to structure and organize software effectively. However, frequently, required component abstractions are not available in a programming language or system, or are not adequately combinable with each other. Invasive software composition (ISC) is a general approach to software composition that unifies component-like abstractions such as templates, aspects and macros. ISC is based on fragment composition, and composes programs and other software artifacts at the level of syntax trees. Therefore, a unifying fragment component model is related to the context-free grammar of a language to identify extension and variation points in syntax trees as well as valid component types. By doing so, fragment components can be composed by transformations at respective extension and variation points so that always valid composition results regarding the underlying context-free grammar are yielded. However, given a language’s context-free grammar, the composition result may still be incorrect. Context-sensitive constraints such as type constraints may be violated so that the program cannot be compiled and/or interpreted correctly. While a compiler can detect such errors after composition, it is difficult to relate them back to the original transformation step in the composition system, especially in the case of complex compositions with several hundreds of such steps. To tackle this problem, this thesis proposes well-formed ISC—an extension to ISC that uses reference attribute grammars (RAGs) to specify fragment component models and fragment contracts to guard compositions with context-sensitive constraints. Additionally, well-formed ISC provides composition strategies as a means to configure composition algorithms and handle interferences between composition steps. Developing ISC systems for complex languages such as programming languages is a complex undertaking. Composition-system developers need to supply or develop adequate language and parser specifications that can be processed by an ISC composition engine. Moreover, the specifications may need to be extended with rules for the intended composition abstractions. Current approaches to ISC require complete grammars to be able to compose fragments in the respective languages. Hence, the specifications need to be developed exhaustively before any component model can be supplied. To tackle this problem, this thesis introduces scalable ISC—a variant of ISC that uses island component models as a means to define component models for partially specified languages while still the whole language is supported. Additionally, a scalable workflow for agile composition-system development is proposed which supports a development of ISC systems in small increments using modular extensions. All theoretical concepts introduced in this thesis are implemented in the Skeletons and Application Templates framework SkAT. It supports “classic”, well-formed and scalable ISC by leveraging RAGs as its main specification and implementation language. Moreover, several composition systems based on SkAT are discussed, e.g., a well-formed composition system for Java and a C preprocessor-like macro language. In turn, those composition systems are used as composers in several example applications such as a library of parallel algorithmic skeletons

Languages and Tools for Optimization of Large-Scale Systems

Modeling and simulation are established techniques for solving design problems in a wide range of engineering disciplines today. Dedicated computer languages, such as Modelica, and efficient software tools are available. In this thesis, an extension of Modelica, Optimica, targeted at dynamic optimization of Modelica models is proposed. In order to demonstrate the Optimica extension, supporting software has been developed. This includes a modularly extensible Modelica compiler, the JModelica compiler, and an extension that supports also Optimica. A Modelica library for paper machine dryer section modeling, DryLib, has been developed. The classes in the library enable structured and hierarchical modeling of dryer sections at the application user level, while offering extensibility for the expert user. Based on DryLib, a parameter optimization problem, a model reduction problem, and an optimization-based control problem have been formulated and solved. A start-up optimization problem for a plate reactor has been formulated in Optimica, and solved by means of the Optimica compiler. In addition, the robustness properties of the start-up trajectories have been evaluated by means of Monte-Carlo simulation. In many control systems, it is necessary to consider interaction with a user. In this thesis, a manual control scheme for an unstable inverted pendulum system, where the inputs are bounded, is presented. The proposed controller is based on the notion of reachability sets and guarantees semi global stability for all references. An inverted pendulum on a two wheels robot has been developed. A distributed control system, including sensor processing algorithms and a stabilizing control scheme has been implemented on three on-board embedded processors

Conceptual roles of data in program: analyses and applications

Program comprehension is the prerequisite for many software evolution and maintenance tasks. Currently, the research falls short in addressing how to build tools that can use domain-specific knowledge to provide powerful capabilities for extracting valuable information for facilitating program comprehension. Such capabilities are critical for working with large and complex program where program comprehension often is not possible without the help of domain-specific knowledge.;Our research advances the state-of-art in program analysis techniques based on domain-specific knowledge. The program artifacts including variables and methods are carriers of domain concepts that provide the key to understand programs. Our program analysis is directed by domain knowledge stored as domain-specific rules. Our analysis is iterative and interactive. It is based on flexible inference rules and inter-exchangeable and extensible information storage. We designed and developed a comprehensive software environment SeeCORE based on our knowledge-centric analysis methodology. The SeeCORE tool provides multiple views and abstractions to assist in understanding complex programs. The case studies demonstrate the effectiveness of our method. We demonstrate the flexibility of our approach by analyzing two legacy programs in distinct domains