PaPaS: A Portable, Lightweight, and Generic Framework for Parallel Parameter Studies

The current landscape of scientific research is widely based on modeling and simulation, typically with complexity in the simulation's flow of execution and parameterization properties. Execution flows are not necessarily straightforward since they may need multiple processing tasks and iterations. Furthermore, parameter and performance studies are common approaches used to characterize a simulation, often requiring traversal of a large parameter space. High-performance computers offer practical resources at the expense of users handling the setup, submission, and management of jobs. This work presents the design of PaPaS, a portable, lightweight, and generic workflow framework for conducting parallel parameter and performance studies. Workflows are defined using parameter files based on keyword-value pairs syntax, thus removing from the user the overhead of creating complex scripts to manage the workflow. A parameter set consists of any combination of environment variables, files, partial file contents, and command line arguments. PaPaS is being developed in Python 3 with support for distributed parallelization using SSH, batch systems, and C++ MPI. The PaPaS framework will run as user processes, and can be used in single/multi-node and multi-tenant computing systems. An example simulation using the BehaviorSpace tool from NetLogo and a matrix multiply using OpenMP are presented as parameter and performance studies, respectively. The results demonstrate that the PaPaS framework offers a simple method for defining and managing parameter studies, while increasing resource utilization.Comment: 8 pages, 6 figures, PEARC '18: Practice and Experience in Advanced Research Computing, July 22--26, 2018, Pittsburgh, PA, US

A Taxonomy of Data Grids for Distributed Data Sharing, Management and Processing

Data Grids have been adopted as the platform for scientific communities that need to share, access, transport, process and manage large data collections distributed worldwide. They combine high-end computing technologies with high-performance networking and wide-area storage management techniques. In this paper, we discuss the key concepts behind Data Grids and compare them with other data sharing and distribution paradigms such as content delivery networks, peer-to-peer networks and distributed databases. We then provide comprehensive taxonomies that cover various aspects of architecture, data transportation, data replication and resource allocation and scheduling. Finally, we map the proposed taxonomy to various Data Grid systems not only to validate the taxonomy but also to identify areas for future exploration. Through this taxonomy, we aim to categorise existing systems to better understand their goals and their methodology. This would help evaluate their applicability for solving similar problems. This taxonomy also provides a "gap analysis" of this area through which researchers can potentially identify new issues for investigation. Finally, we hope that the proposed taxonomy and mapping also helps to provide an easy way for new practitioners to understand this complex area of research.Comment: 46 pages, 16 figures, Technical Repor

A Global Optimisation Toolbox for Massively Parallel Engineering Optimisation

A software platform for global optimisation, called PaGMO, has been developed within the Advanced Concepts Team (ACT) at the European Space Agency, and was recently released as an open-source project. PaGMO is built to tackle high-dimensional global optimisation problems, and it has been successfully used to find solutions to real-life engineering problems among which the preliminary design of interplanetary spacecraft trajectories - both chemical (including multiple flybys and deep-space maneuvers) and low-thrust (limited, at the moment, to single phase trajectories), the inverse design of nano-structured radiators and the design of non-reactive controllers for planetary rovers. Featuring an arsenal of global and local optimisation algorithms (including genetic algorithms, differential evolution, simulated annealing, particle swarm optimisation, compass search, improved harmony search, and various interfaces to libraries for local optimisation such as SNOPT, IPOPT, GSL and NLopt), PaGMO is at its core a C++ library which employs an object-oriented architecture providing a clean and easily-extensible optimisation framework. Adoption of multi-threaded programming ensures the efficient exploitation of modern multi-core architectures and allows for a straightforward implementation of the island model paradigm, in which multiple populations of candidate solutions asynchronously exchange information in order to speed-up and improve the optimisation process. In addition to the C++ interface, PaGMO's capabilities are exposed to the high-level language Python, so that it is possible to easily use PaGMO in an interactive session and take advantage of the numerous scientific Python libraries available.Comment: To be presented at 'ICATT 2010: International Conference on Astrodynamics Tools and Techniques

Structural origins of electronic conduction in amorphous copper-doped alumina

We perform an {\it ab initio} modeling of amorphous copper-doped alumina (a-Al$_2$O$_3$:Cu), a prospective memory material based on resistance switching, and study the structural origin of electronic conduction in this material. We generate molecular dynamics based models of a-Al$_2$O$_3$:Cu at various Cu-concentrations and study the structural, electronic and vibrational properties as a function of Cu-concentration. Cu atoms show a strong tendency to cluster in the alumina host, and metallize the system by filling the band gap uniformly for higher Cu-concentrations. We also study thermal fluctuations of the HOMO-LUMO energy splitting and observe the time evolution of the size of the band gap, which can be expected to have an important impact on the conductivity. We perform a numerical computation of conduction pathways, and show its explicit dependence on Cu connectivity in the host. We present an analysis of ion dynamics and structural aspects of localization of classical normal modes in our models

Adoption of Variability Detection and Variable Rate Application Technologies by Cotton Farmers in Southern United States

A nested logit model was used to analyze the 2009 Southern Cotton Precision Farming Survey to study the impact of farmer and farm characteristics on the adoption of Variability Detection Technologies (VDT) and the adoption of Variability Rate application Technology (VRT) conditioned on the type of the VDT chosen. The results showed that the farm size and exposure to extension activities are important factors affecting the choice of VDTs. The farmers adopting both soil and plant based VDTs are more likely to adopt VRT. The probability of adoption of VRTs was lower for Texas cotton farmers irrespective of the type of VDT adopted. In general, younger, more educated farmers who use computers for farming operations are more likely to adopt VRT when they choose soil based or both soil and plant based VDT.Precision Agriculture, Technology Adoption, Cotton, Crop Production/Industries, Farm Management, Research and Development/Tech Change/Emerging Technologies, O33, Q16,

Turbomachinery Overview for Supercritical CO2 Power Cycles

Tutoria

Low Carbon Land Use: Paris, Pittsburgh, and the IPCC

This article describes strategies that local governments are employing to both mitigate and adapt to climate change, using their state-given powers to plan community development and to regulate private building. Local governments have significant legal authority to shape human settlements and, in so doing, lower CO2 emissions from buildings and vehicles, increase the sequestration of carbon by the natural environment, and promote distributed energy systems and renewable energy facilities that lower fossil fuel consumption. Local elected leaders are highly motivated to avoid the on-the-ground consequences of our changing climate. The effects of climate change manifest themselves at the local level, where people are killed or injured, property is destroyed, businesses are shuttered, ecosystems are fouled, and where our democratic system is most vibrant and able to respond. In 2014, the international community caught up with local governments in the global race against climate change. That year the Intergovernmental Panel on Climate Change embraced the critical role of municipal governments in mitigating the causes of climate change. In 2015, the Paris Climate Agreement adopted by the Conference of the Parties followed suit. This has encouraged localities to redouble their efforts and creates new and exciting opportunities for intergovernmental partnerships to manage climate change

Search Interfaces for Mathematicians

Access to mathematical knowledge has changed dramatically in recent years, therefore changing mathematical search practices. Our aim with this study is to scrutinize professional mathematicians' search behavior. With this understanding we want to be able to reason why mathematicians use which tool for what search problem in what phase of the search process. To gain these insights we conducted 24 repertory grid interviews with mathematically inclined people (ranging from senior professional mathematicians to non-mathematicians). From the interview data we elicited patterns for the user group "mathematicians" that can be applied when understanding design issues or creating new designs for mathematical search interfaces.Comment: conference article "CICM'14: International Conference on Computer Mathematics 2014", DML-Track: Digital Math Libraries 17 page

Designing a Resource Broker for Heterogeneous Grids

Grids provide uniform access to aggregations of heterogeneous resources and services such as computers, networks and storage owned by multiple organizations. However, such a dynamic environment poses many challenges for application composition and deployment. In this paper, we present the design of the Gridbus Grid resource broker that allows users to create applications and specify different objectives through different interfaces without having to deal with the complexity of Grid infrastructure. We present the unique requirements that motivated our design and discuss how these provide flexibility in extending the functionality of the broker to support different low-level middlewares and user interfaces. We evaluate the broker with different job profiles and Grid middleware and conclude with the lessons learnt from our development experience.Comment: 26 pages, 15 figure