Related papers: Reproducible and User-Controlled Software Environm…
A large number of computational scientific research projects make use of open source software packages. However, the development process of such tools frequently differs from conventional software development; partly because of the nature…
Reproducibility in research remains hindered by complex systems involving data, models, tools, and algorithms. Studies highlight a reproducibility crisis due to a lack of standardized reporting, code and data sharing, and rigorous…
High Performance Distributed Computing is essential to boost scientific progress in many areas of science and to efficiently deploy a number of complex scientific applications. These applications have different characteristics that require…
We discuss some specific software engineering challenges in the field of high-performance computing, and argue that the slow adoption of SE tools and techniques is at least in part caused by the fact that these do not address the HPC…
Computational reproducibility is a growing problem that has been extensively studied among computational researchers and within the signal processing and machine learning research community. However, with the changing landscape of signal…
Software ecosystems are collections of projects that are developed and evolve together in the same environment. Existing literature investigates software ecosystems as isolated entities whose boundaries do not overlap and assumes they are…
The increase of existing computational capabilities has made simulation emerge as a third discipline of Science, lying midway between experimental and purely theoretical branches [1, 2]. Simulation enables the evaluation of quantities which…
Can cloud computing infrastructures provide HPC-competitive performance for scientific applications broadly? Despite prolific related literature, this question remains open. Answers are crucial for designing future systems and democratizing…
Cloud computing recently developed into a viable alternative to on-premises systems for executing high-performance computing (HPC) applications. With the emergence of new vendors and hardware options, there is now a growing need to…
We propose an approach for improved reproducibility that includes capturing and relating provenance characteristics and performance metrics, in a hybrid queriable system, the ProvEn server. The system capabilities are illustrated on two use…
The liberalization of software licensing has led to unprecedented re-use of software. Alongside drastically increasing productivity and arguably quality of derivative works, it has also introduced multiple attack vectors. The management of…
For decades, the use of HPC systems was limited to those in the physical sciences who had mastered their domain in conjunction with a deep understanding of HPC architectures and algorithms. During these same decades, consumer computing…
The installation of quantum chemistry software packages is commonly done manually and can be a time-consuming and complicated process. An update of the underlying Linux system requires a reinstallation in many cases and can quietly break…
Scientific workflow has become essential in software engineering because it provides a structured approach to designing, executing, and analyzing scientific experiments. Software developers and researchers have developed hundreds of…
This document captures the discussion and deliberation of the FAIR for Research Software (FAIR4RS) subgroup that took a fresh look at the applicability of the FAIR Guiding Principles for scientific data management and stewardship for…
High Performance Research Desktops are used by HPC centers and research computing organizations to lower the barrier of entry to HPC systems. These Linux desktops are deployed alongside HPC systems, leveraging the investments in HPC compute…
In the age of big data, it is important for primary research data to follow the FAIR principles of findability, accessibility, interoperability, and reusability. Data harmonization enhances interoperability and reusability by aligning…
Reproducibility of computational studies is a hallmark of scientific methodology. It enables researchers to build with confidence on the methods and findings of others, reuse and extend computational pipelines, and thereby drive scientific…
The use of reconfigurable computing, and FPGAs in particular, has strong potential in the field of High Performance Computing (HPC). However the traditionally high barrier to entry when it comes to programming this technology has, until…
Recent developments in the commercial open source community have catalysed the use of Linux containers for scalable deployment of web-based applications to the cloud. Scientific software can be containerized with dependencies, configuration…