TRIQS: A Toolbox for Research on Interacting Quantum Systems

We present the TRIQS library, a Toolbox for Research on Interacting Quantum Systems. It is an open-source, computational physics library providing a framework for the quick development of applications in the field of many-body quantum physics, and in particular, strongly-correlated electronic systems. It supplies components to develop codes in a modern, concise and efficient way: e.g. Green's function containers, a generic Monte Carlo class, and simple interfaces to HDF5. TRIQS is a C++/Python library that can be used from either language. It is distributed under the GNU General Public License (GPLv3). State-of-the-art applications based on the library, such as modern quantum many-body solvers and interfaces between density-functional-theory codes and dynamical mean-field theory (DMFT) codes are distributed along with it.Comment: 27 page

ShoveRand: a Model-Driven Framework to Easily Generate Random Numbers on GP-GPU

International audienceStochastic simulations are often sensitive to the randomness source that characterizes the statistical quality of their results. Consequently, we need highly reliable Random Number Generators (RNGs) to feed such applications. Recent developments try to shrink the computation time by using more and more General Purpose Graphics Processing Units (GP-GPUs) to speed-up stochastic simulations. Such devices bring new parallelization possibilities, but they also introduce new programming difficulties. Since RNGs are at the base of any stochastic simulation, they also need to be ported to GP-GPU. There is still a lack of well-designed implementations of quality-proven RNGs on GP-GPU platforms. In this paper, we introduce ShoveRand, a framework defining common rules to generate random numbers uniformly on GP-GPU. Our framework is designed to cope with any GPU-enabled development platform and to expose a straightforward interface to users. We also provide an existing RNG implementation with this framework to demonstrate its efficiency in both development and ease of use

Software maintenance: generating front ends for cross referencer tools

This thesis surveys the activities performed in software maintenance and identifies some of the software tools which can be utilised by the maintenance programmer. The most expensive phase of software maintenance is surveyed in more detail and tools to support this activity are identified. A new class of cross referencer tool was designed and investigated. The novel aspect of the cross referencer is that it can be used on more than one language, by utihzing grammar driven generators to customize and make maximum re-use of the language independent components, allowing language specific implementations to be generated with minimal effort. The cross referencer also extends an idea of having different levels of detail in cross reference listings by allowing the tool implementor to specify the contents of each level of detail. A proposed experimental toolkit for the automatic construction of these cross referencer front end tools, from non procedural specifications, is designed and investigated

High-Level GPU Programming: Domain-Specific Optimization and Inference

When writing computer software one is often forced to balance the need for high run-time performance with high programmer productivity. By using a high-level language it is often possible to cut development times, but this typically comes at the cost of reduced run-time performance. Using a lower-level language, programs can be made very efficient but at the cost of increased development time. Real-time computer graphics is an area where there are very high demands on both performance and visual quality. Typically, large portions of such applications are written in lower-level languages and also rely on dedicated hardware, in the form of programmable graphics processing units (GPUs), for handling computationally demanding rendering algorithms. These GPUs are parallel stream processors, specialized towards computer graphics, that have computational performance more than a magnitude higher than corresponding CPUs. This has revolutionized computer graphics and also led to GPUs being used to solve more general numerical problems, such as fluid and physics simulation, protein folding, image processing, and databases. Unfortunately, the highly specialized nature of GPUs has also made them difficult to program. In this dissertation we show that GPUs can be programmed at a higher level, while maintaining performance, compared to current lower-level languages. By constructing a domain-specific language (DSL), which provides appropriate domain-specific abstractions and user-annotations, it is possible to write programs in a more abstract and modular manner. Using knowledge of the domain it is possible for the DSL compiler to generate very efficient code. We show that, by experiment, the performance of our DSLs is equal to that of GPU programs written by hand using current low-level languages. Also, control over the trade-offs between visual quality and performance is retained. In the papers included in this dissertation, we present domain-specific languages targeted at numerical processing and computer graphics, respectively. These DSL have been implemented as embedded languages in Python, a dynamic programming language that provide a rich set of high-level features. In this dissertation we show how these features can be used to facilitate the construction of embedded languages