Simulating Distributed Systems

The simulation framework developed within the "Models of Networked Analysis at Regional Centers" (MONARC) project as a design and optimization tool for large scale distributed systems is presented. The goals are to provide a realistic simulation of distributed computing systems, customized for specific physics data processing tasks and to offer a flexible and dynamic environment to evaluate the performance of a range of possible distributed computing architectures. A detailed simulation of a large system, the CMS High Level Trigger (HLT) production farm, is also presented

A case study for NoC based homogeneous MPSoC architectures

The many-core design paradigm requires flexible and modular hardware and software components to provide the required scalability to next-generation on-chip multiprocessor architectures. A multidisciplinary approach is necessary to consider all the interactions between the different components of the design. In this paper, a complete design methodology that tackles at once the aspects of system level modeling, hardware architecture, and programming model has been successfully used for the implementation of a multiprocessor network-on-chip (NoC)-based system, the NoCRay graphic accelerator. The design, based on 16 processors, after prototyping with field-programmable gate array (FPGA), has been laid out in 90-nm technology. Post-layout results show very low power, area, as well as 500 MHz of clock frequency. Results show that an array of small and simple processors outperform a single high-end general purpose processo

Implementing and Evaluating Jukebox Schedulers Using JukeTools

Scheduling jukebox resources is important to build efficient and flexible hierarchical storage systems. JukeTools is a toolbox that helps in the complex tasks of implementing and evaluating jukebox schedulers. It allows the fast development of jukebox schedulers. The schedulers can be tested in numerous environments, both real and simulated types. JukeTools helps the developer to easily detect errors in the schedules. Analyzer tools create detailed reports on the behavior and performance of any of the scheduler, and provide comparisons between different schedulers. This paper describes the functionality offered by JukeTools, with special emphasis on how the toolbox can be used to develop jukebox schedulers

LightDock: a new multi-scale approach to protein–protein docking

Computational prediction of protein–protein complex structure by docking can provide structural and mechanistic insights for protein interactions of biomedical interest. However, current methods struggle with difficult cases, such as those involving flexible proteins, low-affinity complexes or transient interactions. A major challenge is how to efficiently sample the structural and energetic landscape of the association at different resolution levels, given that each scoring function is often highly coupled to a specific type of search method. Thus, new methodologies capable of accommodating multi-scale conformational flexibility and scoring are strongly needed. We describe here a new multi-scale protein–protein docking methodology, LightDock, capable of accommodating conformational flexibility and a variety of scoring functions at different resolution levels. Implicit use of normal modes during the search and atomic/coarse-grained combined scoring functions yielded improved predictive results with respect to state-of-the-art rigid-body docking, especially in flexible cases.B.J-G was supported by a FPI fellowship from the Spanish Ministry of Economy and Competitiveness. This work was supported by I+D+I Research Project grants BIO2013-48213-R and BIO2016-79930-R from the Spanish Ministry of Economy and Competitiveness. This work is partially supported by the European Union H2020 program through HiPEAC (GA 687698), by the Spanish Government through Programa Severo Ochoa (SEV-2015-0493), by the Spanish Ministry of Science and Technology (TIN2015-65316-P) and the Departament d’Innovació, Universitats i Empresa de la Generalitat de Catalunya, under project MPEXPAR: Models de Programaciói Entorns d’Execució Paral·lels (2014-SGR-1051).Peer ReviewedPostprint (author's final draft

Automatic visualization and control of arbitrary numerical simulations

Authors’ preprint version as submitted to ECCOMAS Congress 2016, Minisymposium 505 - Interactive Simulations in Computational Engineering. Abstract: Visualization of numerical simulation data has become a cornerstone for many industries and research areas today. There exists a large amount of software support, which is usually tied to specific problem domains or simulation platforms. However, numerical simulations have commonalities in the building blocks of their descriptions (e. g., dimensionality, range constraints, sample frequency). Instead of encoding these descriptions and their meaning into software architecures we propose to base their interpretation and evaluation on a data-centric model. This approach draws much inspiration from work of the IEEE Simulation Interoperability Standards Group as currently applied in distributed (military) training and simulation scenarios and seeks to extend those ideas. By using an extensible self-describing protocol format, simulation users as well as simulation-code providers would be able to express the meaning of their data even if no access to the underlying source code was available or if new and unforseen use cases emerge. A protocol definition will allow simulation-domain experts to describe constraints that can be used for automatically creating appropriate visualizations of simulation data and control interfaces. Potentially, this will enable leveraging innovations on both the simulation and visualization side of the problem continuum. We envision the design and development of algorithms and software tools for the automatic visualization of complex data from numerical simulations executed on a wide variety of platforms (e. g., remote HPC systems, local many-core or GPU-based systems). We also envisage using this automatically gathered information to control (or steer) the simulation while it is running, as well as providing the ability for fine-tuning representational aspects of the visualizations produced

Automatic visualization and control of arbitrary numerical simulations

Authors’ preprint version as submitted to ECCOMAS Congress 2016, Minisymposium 505 - Interactive Simulations in Computational Engineering. Abstract: Visualization of numerical simulation data has become a cornerstone for many industries and research areas today. There exists a large amount of software support, which is usually tied to specific problem domains or simulation platforms. However, numerical simulations have commonalities in the building blocks of their descriptions (e. g., dimensionality, range constraints, sample frequency). Instead of encoding these descriptions and their meaning into software architecures we propose to base their interpretation and evaluation on a data-centric model. This approach draws much inspiration from work of the IEEE Simulation Interoperability Standards Group as currently applied in distributed (military) training and simulation scenarios and seeks to extend those ideas. By using an extensible self-describing protocol format, simulation users as well as simulation-code providers would be able to express the meaning of their data even if no access to the underlying source code was available or if new and unforseen use cases emerge. A protocol definition will allow simulation-domain experts to describe constraints that can be used for automatically creating appropriate visualizations of simulation data and control interfaces. Potentially, this will enable leveraging innovations on both the simulation and visualization side of the problem continuum. We envision the design and development of algorithms and software tools for the automatic visualization of complex data from numerical simulations executed on a wide variety of platforms (e. g., remote HPC systems, local many-core or GPU-based systems). We also envisage using this automatically gathered information to control (or steer) the simulation while it is running, as well as providing the ability for fine-tuning representational aspects of the visualizations produced