Now showing items 21-40 of 106

  • Binding free energy and ligand orientation calculations using a Monte Carlo method with Markov Sate analysis 

    Lecina-Casas, Daniel; Takahashi, Ryoji; Guallar, Victor (Barcelona Supercomputing Center, 2015-05-05)
    Conference report
    Open Access
    Computing binding free energies has great implications in drug design. Using PELE technique, it has been shown that one can get quick and accurate estimations by means of a Markov state model3. We improved our methodology ...
  • Cation–π–cation interactions in structural biology 

    Pinheiro, Silvana; Soteras, Ignacio; Gelpí, Josep Lluís; Dehez, François; Chipot, Christophe; Luque, F. Javier; Curutchet, Carles (Barcelona Supercomputing Center, 2015-05-05)
    Conference report
    Open Access
    Biological structures are stabilized by a variety of noncovalent interactions, such as hydrogen bonds, π –stacking, salt bridges or hydrophobic interactions. Besides hydrogen bonds and π– stacking, cation–π interactions ...
  • Characterization of coal power plants plume dynamics under typical synoptic conditions over the Iberian Peninsula 

    Valverde, Víctor; Pay, María Teresa; Baldasano Recio, José María (Barcelona Supercomputing Center, 2015-05-05)
    Conference report
    Open Access
    This work describes the pollution plumes of seven Spanish coal power plants under the most typical meteorological conditions that affect the Iberian Peninsula at synoptic scale. The aim is to understand how meteorology ...
  • Criticality-aware dynamic task scheduling for heterogeneous systems 

    Chronaki, Kallia; Rico Carro, Alejandro; Badia Sala, Rosa Maria; Ayguadé Parra, Eduard (Barcelona Supercomputing Center, 2015-05-05)
    Conference report
    Open Access
  • Deployment de Spark al Supercomputador Marenostrum III 

    Calvo Ibañez, Albert (Universitat Politècnica de Catalunya, 2016-04-27)
    Bachelor thesis
    Open Access
    Aquest treball de final de grau tracta un tema d'actualitat i de gran interès.En concret es fa una introducció al món de l'anàlisi de dades massives utilitzant l'eina Spark. Durant el desenvolupament d'aquest projecte es ...
  • Design of high throughput and cost-efficient data center networks supporting NFV 

    Eramo, Vicenzo; Hesselbach Serra, Xavier; Luo, Yan; Botero Vega, Juan Felipe (HINDAWI, 2016-04-20)
    Article
    Open Access
    Data centers (DC) are characterized by the sharing of compute and storage resources to support Internet services. Today, many companies (Amazon, Google, Facebook, etc.) use data centers to offer storage, web search, and ...
  • Development of an oceanographic application in HPC 

    Basciano, Davide (Universitat Politècnica de Catalunya, 2016)
    Master thesis
    Open Access
    Covenantee:  Barcelona Supercomputing Centre
    High Performance Computing (HPC) is used for running advanced application programs efficiently, reliably, and quickly. In earlier decades, performance analysis of HPC applications was evaluated based on speed, scalability ...
  • Discovering most significant news using Network Science approach 

    Blokh, Ilya; Alexandrov, Vassil (Barcelona Supercomputing Center, 2015-05-05)
    Conference report
    Open Access
  • Disseny i avaluació d'un cluster HPC: Hardware 

    Trilla Rodriguez, David (Universitat Politècnica de Catalunya, 2014-06-26)
    Bachelor thesis
    Open Access
    [CASTELLÀ] El trabajo está centrado en el ámbito del hardware para computación de altas prestaciones. En este trabajo concreto se explica cual es el hardware mas usado en HPC, se diseña un clúster teórico, y se explica ...
  • Distributed training of deep neural networks with spark: The MareNostrum experience 

    Cruz, Leonel; Tous Liesa, Rubén; Otero Calviño, Beatriz (Elsevier, 2019-07-01)
    Article
    Restricted access - publisher's policy
    Deployment of a distributed deep learning technology stack on a large parallel system is a very complex process, involving the integration and configuration of several layers of both, general-purpose and custom software. ...
  • DLP acceleration on general purpose cores 

    Duric, Milovan; Palomar Pérez, Óscar; Unsal, Osman Sabri; Cristal Kestelman, Adrián; Valero Cortés, Mateo (Barcelona Supercomputing Center, 2015-05-05)
    Conference report
    Open Access
    High-performance and power-efficient multimedia computing drives the design of modern and increasingly utilized mobile devices. State-of-the-art low power processors already utilize chip multiprocessors (CMP) that add ...
  • Dynamics of double-polarity subduction: application to the Western Mediterranean 

    Peral Millán, Mireia; Zlotnik, Sergio; Fernàndez Ortiga, Manel (Barcelona Supercomputing Center, 2015-05-05)
    Conference report
    Open Access
    The Western Mediterranean tectonic setting and history is studied by means of three-dimensional numerical models. Goals are to understand its dynamics and to test the feasibility of a doublepolarity subduction process ...
  • Dynamic transaction coalescing 

    Stipic, Srdjan; Karakostas, Vasileios; Smiljkovic, Vesna; Gajinov, Vladimir; Unsal, Osman Sabri; Cristal Kestelman, Adrián; Valero Cortés, Mateo (Association for Computing Machinery (ACM), 2014)
    Conference report
    Restricted access - publisher's policy
    Prior work in Software Transactional Memory has identified high overheads related to starting and committing transactions that may degrade the application performance. To amortize these overheads, transaction coalescing ...
  • Energy-oriented denial of service attacks: an emerging menace for large cloud infrastructures 

    Palmieri, Francesco; Ricciardi, Sergio; Fiore, Ugo; Ficco, Massimo; Castiglione, Aniello (2015-05-01)
    Article
    Open Access
    This work analyzes a new and very subtle kind of security threat that can affect large-scale cloud-based IT service infrastructures, by exploiting the computational resources of their component data center to waste as much ...
  • Estudi del rendiment del sistema Oracle Grid Engine 

    Herrero Rosello, Albert (Universitat Politècnica de Catalunya, 2013-06-17)
    Master thesis (pre-Bologna period)
    Restricted access - confidentiality agreement
  • Evaluating SLURM simulator with real-machine SLURM and vice versa 

    Jokanovic, Ana; D'Amico, Marco; Corbalán González, Julita (Institute of Electrical and Electronics Engineers (IEEE), 2018)
    Conference report
    Open Access
    Having a precise and a fast job scheduler model that resembles the real-machine job scheduling software behavior is extremely important in the field of job scheduling. The idea behind SLURM simulator is preserving the ...
  • Evaluation of AWS for running BSC-EC models 

    Quesada Alacid, Adrià (Universitat Politècnica de Catalunya, 2019-04)
    Bachelor thesis
    Open Access
    Aquest projecte busca avaluar el núvol ofert per Amazon Web Services per executar models Ciències de la Terra. S'analitzarà com un sistema de modelat pronòstic del temps es comporta al núvol i serà comparat amb l'entorn ...
  • Evaluation of low-power architectures in a scientific computing environment 

    Gómez Crespo, Constantino (Universitat Politècnica de Catalunya, 2016-07-07)
    Master thesis
    Open Access
    HPC (High Performance Computing) represents, together with theory and experiments, the third pillar of science. Through HPC, scientists can simulate phenomena otherwise impossible to study. The need of performing larger ...
  • Evaluation of modelling systems in high resolution to assess the air pollutant impacts on human health 

    González-Rocha, Sergio Natan; Baldasano Recio, José María (Barcelona Supercomputing Center, 2015-05-05)
    Conference report
    Open Access
    Nowadays the modelling of systems in high resolution is being used for air quality and other forecasting applications, where a spatial area is related with different interrelated variables that could be displayed on a ...
  • Evaluation of vectorization potential of Graph500 on Intel's Xeon Phi 

    Stanic, Milan; Palomar Pérez, Óscar; Ratkovic, Ivan; Duric, Milovan; Unsal, Osman Sabri; Cristal Kestelman, Adrián; Valero Cortés, Mateo (Institute of Electrical and Electronics Engineers (IEEE), 2014)
    Conference report
    Open Access
    Graph500 is a data intensive application for high performance computing and it is an increasingly important workload because graphs are a core part of most analytic applications. So far there is no work that examines if ...