Accelerating scientific codes by performance and accuracy modeling

Scientific software is often driven by multiple parameters that affect both accuracy and performance. Since finding the optimal configuration of these parameters is a highly complex task, it extremely common that the software is used suboptimally. In a typical scenario, accuracy requirements are imposed, and attained through suboptimal performance. In this paper, we present a methodology for the automatic selection of parameters for simulation codes, and a corresponding prototype tool. To be amenable to our methodology, the target code must expose the parameters affecting accuracy and performance, and there must be formulas available for error bounds and computational complexity of the underlying methods. As a case study, we consider the particle-particle particle-mesh method (PPPM) from the LAMMPS suite for molecular dynamics, and use our tool to identify configurations of the input parameters that achieve a given accuracy in the shortest execution time. When compared with the configurations suggested by expert users, the parameters selected by our tool yield reductions in the time-to-solution ranging between 10% and 60%. In other words, for the typical scenario where a fixed number of core-hours are granted and simulations of a fixed number of timesteps are to be run, usage of our tool may allow up to twice as many simulations. While we develop our ideas using LAMMPS as computational framework and use the PPPM method for dispersion as case study, the methodology is general and valid for a range of software tools and methods

Ontology-driven conceptual modeling: A'systematic literature mapping and review

All rights reserved. Ontology-driven conceptual modeling (ODCM) is still a relatively new research domain in the field of information systems and there is still much discussion on how the research in ODCM should be performed and what the focus of this research should be. Therefore, this article aims to critically survey the existing literature in order to assess the kind of research that has been performed over the years, analyze the nature of the research contributions and establish its current state of the art by positioning, evaluating and interpreting relevant research to date that is related to ODCM. To understand and identify any gaps and research opportunities, our literature study is composed of both a systematic mapping study and a systematic review study. The mapping study aims at structuring and classifying the area that is being investigated in order to give a general overview of the research that has been performed in the field. A review study on the other hand is a more thorough and rigorous inquiry and provides recommendations based on the strength of the found evidence. Our results indicate that there are several research gaps that should be addressed and we further composed several research opportunities that are possible areas for future research