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Ara es mostren els items 1-47 de 47

  • Methodology to predict scalability of parallel applications 

    Rosas, Claudia; Giménez Lucas, Judit; Labarta Mancho, Jesús José (2015-05-05)
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    In the road to exascale computing, the inference of expected performance of parallel applications results in a complex task. Performance analysts need to identify the behavior of the applications and to extrapolate it to ...
  • HPC and edge elements for geophysical electromagnetic problems: an overview 

    Castillo, Octavio; Puente, Josep de la; Puzyrev, Vladimir; Cela Espín, José M. (2015-05-05)
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    In Finite Element Methods for solving electromagnetic problems, the use of Nédélec Elements has become very popular. In fact, Nédélec Elements are often said to be a cure to many difficulties that are encountered, particularly ...
  • From imaging to simulation: a framework applied to simulate the blood flow in the carotids 

    Aris, Ruth; Mani, Venkatesh; Dyvorne, Hadrien A.; Jowkar, M.; Santiago, A.; Houzeaux, G.; Fayad, Zahi; Vázquez, Mariano (2015-05-05)
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    In this work we present a methodology to extract information from medical imaging and use it for hemodynamical simulation in arteries. Based on in-vivo magnetic resonance images (MRI), the velocity of the blood flow has ...
  • Optimizing a coarse-grained model for the recognition of protein-protein binding 

    Emperador, Agustí; Orozco, Modesto (2015-05-05)
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    We are optimizing a force-field to be used with our coarsegrained protein model for the recognition of protein -protein binding. We have found that, apart from ranking correctly the ligand-receptor conformations generated ...
  • Study of preconditioners based on Markov Chain Monte Carlo methods 

    Esquivel-Flores, Oscar A. (2015-05-05)
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    Nowadays, analysis and design of novel scalable methods and algorithms for fundamental linear algebra problems such as solving Systems of Linear Algebraic Equations with focus on large scale systems is a subject of ...
  • Discovering most significant news using Network Science approach 

    Blokh, Ilya; Alexandrov, Vassil (2015-05-05)
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  • Linompss – A Linear Algebra Library on OMPSs 

    Zhuang, Sicong (2015-05-05)
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    Exascale performance will require massive parallelism and asynchronous execution (DARPA, DOE, EESI2). The former pertains to the design choice to increase hardware performance through growing core counts. The latter ensures ...
  • Criticality-aware dynamic task scheduling for heterogeneous systems 

    Chronaki, Kallia; Rico Carro, Alejandro; Badia Sala, Rosa Maria; Ayguadé Parra, Eduard (2015-05-05)
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  • High performance computing based simulation for healthcare decision support 

    Liu, Zhengchun; Luque Amat, Emilio (2015-05-05)
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    Due to the complexity and crucial role of an Emergency Department (ED) in the healthcare system. The ability to more accurately represent, simulate and predict performance of ED will be invaluable for decision makers ...
  • Hardware scheduling algorithms for asymmetric single-ISA CMPs 

    Markovic, Nikola; Nemirovsky, Daniel; Unsal, Osman Sabri; Valero Cortés, Mateo; Cristal Kestelman, Adrián (2015-05-05)
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    As thread level parallelism in applications has continued to expand, so has research in chip multi-core processors. Since more and more applications become multi-threaded we expect to find a growing number of threads ...
  • Single amino acid mutation controls hole transfer dynamics in DNAmethyltransferase HhaI complexes 

    Corbella, Marina; Voityuk, Alexander A.; Curutchet, Carles (2015-05-05)
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    Different mutagenic effects are generated by DNA oxidation that implies the formation of radical cation states (socalled holes) on purine nucleobases in the π stack. The interaction of DNA with proteins may protect DNA ...
  • Macroscopic structures generated by microorganisms swimming in a fluid 

    Alarcón, Francisco; Pagonabarraga, Ignacio (2015-05-05)
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    It is known that active particles induce emerging patterns as a result of their dynamic interactions, giving rise to amazing collective motions, such as swarming or clustering. Here we present a systematic numerical ...
  • Inter-residue interactions in membrane proteins 

    Mayol, Eduardo; Olivella, Mireia; Cordomí Montoya, Arnau; Pardo, Leonardo (2015-05-05)
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    Knowing the precise 3D-structure of a protein is crucial to understand its functional mechanism at the molecular level and to develop new pharmacological agents to targeting it. Nowadays only a few hundred integral ...
  • A Novel approach to reconstruct the plinian and co-ignimbrite phases of large eruptions - Campanian Ignimbrite 

    Marti, Alejandro; Folch, Arnau; Costa, Antonio; Engwell, Samantha (2015-05-05)
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    Reconstructing the volume and tephra dispersal from volcanic super-eruptions is necessary to assess the widespread impact of these massive events on climate, ecosystems and humans. Recent studies have demonstrated that ...
  • Plasma physics code contribution to the Mont-Blanc project 

    Sáez, Xavier; Soba, Alejandro; Mantsinen, Mervi (2015-05-05)
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    This work develops strategies for adapting a particle-in-cell code to heterogeneous computer architectures and, in particular, to an ARM-based prototype of the Mont-Blanc project using OmpSs programming model and the ...
  • Folding: reporting instantaneous performance metrics and source-code references 

    Servat, Harald; Labarta Mancho, Jesús José (2015-05-05)
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    Despite supercomputers deliver huge computational power, applications only reach a fraction of it. There are several factors limiting the application performance, and one of the most important is the single processor ...
  • Probabilistically time-analyzable complex processors in hard real- time systems 

    Slijepcevic, Mladen; Abella Ferrer, Jaume; Cazorla Almeida, Francisco Javier (2015-05-05)
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    Critical Real-Time Embedded Systems (CRTES) feature performance-demanding functionality. High-performance hardware and complex software can provide such functionality, but the use of aggressive technology challenges ...
  • Improving the prefetching performance through code region profiling 

    Torrents Lapuerta, Martí; Martínez, Raul; Molina Clemente, Carlos (2015-05-05)
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    In this work, we propose a new technique to improve the performance of hardware data prefetching. This technique is based on detecting periods of time and regions of code where the prefetcher is not working properly, ...
  • Dynamics of double-polarity subduction: application to the Western Mediterranean 

    Peral Millán, Mireia; Zlotnik, Sergio; Fernàndez Ortiga, Manel (2015-05-05)
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    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 ...
  • Characterization of coal power plants plume dynamics under typical synoptic conditions over the Iberian Peninsula 

    Valverde, Víctor; Pay, María Teresa; Baldasano Recio, José María (2015-05-05)
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    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 ...
  • Quantum dynamics study of the hydrogen molecule confined in singlewalled carbon nanotubes 

    Mondelo-Martell, M.; Huarte-Larrañaga, F. (2015-05-05)
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    In the present work a full-dimensional study of the dynamics of a hydrogen molecule confined in a narrow Single-walled Carbon Nanotube (SWCNT) is performed by using the Multi-configurational Time-dependent Hartree ...
  • Sugar conformations that enhance cleavage of glycosidic bonds in carbohydrate-active enzymes 

    Raich, Lluís; Rovira, Carme (2015-05-05)
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    Carbohydrate-active enzymes select particular conformations of one sugar of their carbohydrate substrates to enhance catalysis. The evolution of this conformation during catalysis, known as the catalytic itinerary, is ...
  • pyDock performance in 5th CAPRI edition: from docking and scoring to binding affinity predictions and other challenges 

    Pallara, Chiara; Jiménez-García, Brian; Romero, Miguel; Fernandez-Recio, Juan (2015-05-05)
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    Proteins form the executive machinery underlying all the biological processes that occur within and between cells, from DNA replication to protein degradation. Although genome-scale technologies enable to clarify their ...
  • Implementation of an internal coordinates anisotropic network model in PELE 

    Gil, Victor A.; Guallar, Victor (2015-05-05)
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    The use of computational methods to elucidate the ligand-protein binding mechanisms is of utmost importance for the pharmaceutical industry. PELE (Protein Energy Landscape Exploration) software has proved to have ...
  • Cation–π–cation interactions in structural biology 

    Pinheiro, Silvana; Soteras, Ignacio; Gelpí, José Luis; Dehez, François; Chipot, Christophe; Luque, F. Javier; Curutchet, Carles (2015-05-05)
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    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 ...
  • Heating bulk ions in DEMO with ICRF waves 

    Gallart, Dani; Mantsinen, Mervi; Kazakov, Yevgen (2015-05-05)
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    Ion cyclotron resonance frequency heating (ICRF) is one of the auxiliary heating schemes presently envisaged for ITER and DEMO. In this paper we analyse the potential of ICRF waves to heat the fuel ions in DEMO. Our ...
  • Rayleigh wave ellipticity measurements in the Iberian Peninsula and Morocco 

    Gómez-García, Clara; Villaseñor, Antonio (2015-05-05)
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    We combine Rayleigh wave ellipticity, or H/V (horizontal to vertical) amplitude ratios, measurements obtained using teleseismic earthquake recordings and ambient noise cross correlations to provide improved constraints ...
  • State-of-the-art climate predictions for energy climate services 

    Torralba, Verónica; Davis, Melanie; Doblas-Reyes, Francisco; González-Reviriego, Nube (2015-05-05)
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    Seasonal predictions of 10-m wind speed can be used by the wind energy sector in a number of decision making processes. Two different techniques of post-processing are applied in order to correct the unavoidable systematic ...
  • Parallel programming issues and what the compiler can do to help 

    Royuela, Sara; Martorell Bofill, Xavier (2015-05-05)
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    Twenty-first century parallel programming models are becoming real complex due to the diversity of architectures they need to target (Multi- and Many-cores, GPUs, FPGAs, etc.). What if we could use one programming model ...
  • Automatic query driven data modelling in Cassandra 

    Hernandez, Roger; Becerra Fontal, Yolanda; Torres Viñals, Jordi; Ayguadé Parra, Eduard (2015-05-05)
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    Non-relational databases have recently been the preferred choice when it comes to dealing with Big Data challenges, but their performance is very sensitive to the chosen data organisations. We have seen differences of ...
  • Modelling the contact propagation of nosocomial infection in emergency departments 

    Jaramillo, Cecilia; Taboada, Manel; Epelde, Francisco; Rexachs, Dolores; Luque Amat, Emilio (2015-05-05)
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    The nosocomial infection is a special kind of infection that is caused by microorganisms acquired inside a hospital. In the daily care process of an emergency department, the interactions between patients and sanitary ...
  • MACC: Mercurium ACCelerator Model 

    Ozen, Guray; Ayguadé Parra, Eduard; Labarta Mancho, Jesús José (2015-05-05)
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    GPU Offloading is emergent programming model. OpenMP includes in its latest 4.0 specification the accelerator model. In this paper we present a newly implementation of this specification while generationg "native" GPU ...
  • A 3D-1D cardiac-vascular computational feedbacked model 

    Santiago, Alfonso; Vázquez, Mariano; Houzeaux, Guillaume; Aguado-Sierra, Jazmin; López, Mariña; Rivero, Matías; Blanco Sánchez, Pablo; Watanabe, Sansuke (2015-05-05)
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    A first version of a cardiovascular coupled model is presented. The modelling tools are Alya, the BSC tool for biomechanical simulations; and ADAN55, the LNCC model of the arterial blood flow. The former solves the ...
  • Evaluation of modelling systems in high resolution to assess the air pollutant impacts on human health 

    González-Rocha, Sergio Natan; Baldasano Recio, José María (2015-05-05)
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    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 ...
  • Binding free energy and ligand orientation calculations using a Monte Carlo method with Markov Sate analysis 

    Lecina-Casas, Daniel; Takahashi, Ryoji; Guallar, Victor (2015-05-05)
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    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 ...
  • A parallel coupled algorithm for the solution of deformable two-body contact problem 

    Rivero Almeida, José Miguel; Cajas, J.C.; Houzeaux, Guillaume; Vázquez, Mariano (2015-05-05)
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    This work presents a parallel iterative method for numerical solving frictionless contact problem for two elastic bodies. Each iterative step consists of a Dirichlet problem for the one body and a Neumann problem for ...
  • Resource management for software defined data centers for heterogeneous infrastructures 

    Carneiro do Amaral, Marcelo; Carrera Pérez, David (2015-05-05)
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    Software Defined Data Center (SDDC) provides more resource management flexibility since everything is defined as a software, including the network as Software Defined Network (SDN).Typically, cloud providers overlook ...
  • A framework for multidimensional indexes on distributed and highly-available data stores 

    Cugnasco, Cesare; Becerra Fontal, Yolanda (2015-05-05)
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    No-relational databases are nowadays a common solution when dealing with a huge data set and massive query workload. These systems have been redesigned from scratch in order to achieve scalability and availability at ...
  • Mathematical representation of the Hardware Round-Robin Scheduler analytical model for single-ISA heterogeneous architectures 

    Nemirovsky, Daniel; Markovic, Nikola; Unsal, Osman Sabri; Valero Cortés, Mateo; Cristal Kestelman, Adrián (2015-05-05)
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  • Theoretical study on the activation mechanism of AMP-kinase by means of Molecular Dynamics Simulations 

    Estarellas, C.; Leal Moraes, G.; Castro Villalba, Antonio; Lameira, J.; Bidon-Chanal, A.; Luque, F. J. (2015-05-05)
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    Mammalian AMP-activated protein kinase (AMPK) is a Ser108/Thr132 heterotrimeric enzyme complex (one catalytic subunit a and two regulatory subunits b and g) with a key role as sensor in the cellular energy homeostasis. ...
  • Influence of temperature on the topological features of inner cavities in cytoglobin 

    Seira, Constantí; Luque, F. Javier; Bidon-Chanal, Axel (2015-05-05)
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    Cytoglobin (Cygb) is a novel member of the globin family in man, but there is no clear evidence about its biological function. Cygb exhibits a highly complex ligand rebinding kinetics, which agrees with the structural ...
  • Hecuba: NoSql made easy 

    Alomar, Guillem; Becerra Fontal, Yolanda; Torres Viñals, Jordi (2015-05-05)
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    Non-relational databases are nowadays a common solution when dealing with huge data set and massive query work load. These systems have been redesigned from scratch in order to achieve scalability and availability at ...
  • Scaling irregular array-type reductions in OmpSs 

    Ciesko, Jan; Mateo Bellido, Sergi; Teruel, Xavier; Beltran, Vicenç (2015-05-05)
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    Array-type reductions represent a frequently occurring algorithmic pattern in many scientific applications. A special case occurs if array elements are accessed in a non-linear, often random manner, which makes their ...
  • DLP acceleration on general purpose cores 

    Duric, Milovan; Palomar Pérez, Óscar; Unsal, Osman Sabri; Cristal Kestelman, Adrián; Valero Cortés, Mateo (2015-05-05)
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    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 ...
  • Methodology to select a I/O configuration (hardware resources and stack software) in cloud platform 

    Gómez-Sánchez, Pilar; Rexachs, Dolores; Méndez, Sandra; Luque, Emilio (2015-05-05)
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    Currently, there is an increasing interest about the cloud platform by the High Performance Computing (HPC) community, and the Parallel Input/Output (I/O) for High Performance Systems is not an exception. However, in ...
  • Understanding scientific application's performance 

    Tintó Prims, Oriol (2015-05-05)
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    Improve Earth System model's scalability in High Performance Computing infrastructure is crucial to achieve efficiency in upcoming supercomputers. We study how to increase the scalability of the widely used Oceanic Model ...