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Subjects / keywords: Message passing; Computer science; Parallel computing; Message Passing Interface; Dynamics (music); Computational science; Molecular dynamics; Physics; Acoustics; Quantum mechanics

AutoDock Vina, a new program for molecular docking and virtual screening, is presented. AutoDock Vina achieves an approximately two orders of magnitude speed-up compared with the molecular docking software previously dev...

Molecular simulation is an extremely useful, but computationally very expensive tool for studies of chemical and biomolecular systems. Here, we present a new implementation of our molecular simulation toolkit GROMACS whi...

This article describes the software suite GROMACS (Groningen MAchine for Chemical Simulation) that was developed at the University of Groningen, The Netherlands, in the early 1990s. The software, written in ANSI C, origi...

Since the classical molecular dynamics simulator LAMMPS was released as an open source code in 2004, it has become a widely-used tool for particle-based modeling of materials at length scales ranging from atomic to mesos...

MapReduce is a programming model and an associated implementation for processing and generating large datasets that is amenable to a broad variety of real-world tasks. Users specify the computation in terms of a map and ...

Since its introduction in 2001, MrBayes has grown in popularity as a software package for Bayesian phylogenetic inference using Markov chain Monte Carlo (MCMC) methods. With this note, we announce the release of version ...

The promise of quantum computers is that certain computational tasks might be executed exponentially faster on a quantum processor than on a classical processor1. A fundamental challenge is to build a high-fidelity proce...

We introduce an extremely computation-efficient CNN architecture named ShuffleNet, which is designed specially for mobile devices with very limited computing power (e.g., 10-150 MFLOPs). The new architecture utilizes two...

The problem of multiprogram scheduling on a single processor is studied from the viewpoint of the characteristics peculiar to the program functions that need guaranteed service. It is shown that an optimum fixed priority...

Subjects / keywords: Computer science; FLOPS; Metric (unit); Architecture; Computation; Performance metric; Computer engineering; Distributed computing; Computer architecture; Parallel computing; Algorithm; Operations management

Subjects / keywords: Asynchronous communication; Computer science; Construct (python library); Task (project management); Event (particle physics); Node (physics); Parallel computing; Exploit; Execution model; Programming paradigm; Programmi...

In the Python world, NumPy arrays are the standard representation for numerical data and enable efficient implementation of numerical computations in a high-level language. As this effort shows, NumPy performance can be ...

Subjects / keywords: high-performance computing, supercomputing, parallel computing, exascale computing, big data analytics, high-performance storage; Science: Mathematics: Instruments and machines: Electronic computers. Computer science: Co...

Subjects / keywords: high performance computing systems, future generation highly parallel computing systems; Science: Mathematics: Instruments and machines: Electronic computers. Computer science

Subjects / keywords: information technology, design automation, simulation, signal processing, pattern recognition, parallel computing; Science: Mathematics: Instruments and machines: Electronic computers. Computer science

Fighting fires is a very risky job, where loss of life is a real possibility. Proper training is essential. Several firemen academies offer courses and programs whose goal is to enhance the ability of fire and emergency ...

Caracterizar las arquitecturas multiprocesador distribuidas enfocadas a cluster, grid y cloud computing, con énfasis en las que utilizan procesadores de múltiples núcleos (“multicores”), con el objetivo de modeliz...

Caracterizar las arquitecturas multiprocesador distribuidas enfocadas a cluster, grid y cloud computing, con énfasis en las que utilizan procesadores de múltiples núcleos (“multicores”), con el objetivo de modeliz...

La disponibilidad de recursos computacionales conectados a través de Internet y redes WAN reviste un especial interés, principalmente en el marco de la infraestructura Web 2.0, la cual permite que los usuarios puedan a...

La potencia de procesamiento de las supercomputadoras de ayer está ahora disponible en el desktop, aunque la necesidad de mayor poder computacional para resolver los problemas más grandes continúa creciendo. Los siste...

Esta línea de I/D se enfoca en la especificación, desarrollo y evaluación de sistemas paralelos utilizando esquemas multiprocesador. Se parte del estudio de las arquitecturas de múltiples núcleos (multicore) y se tr...

In an ideal world, organizations “share” the cloud, logically separated from each other by the cloud provider, operating independently of each other in a sandbox, pulling resources only when needed, and respecting th...

Este trabajo presenta un análisis de la degradación de la red virtualizada, en la ejecución de algoritmos paralelos, para entornos de cómputo científico en un Cloud privado. Se introducen los conceptos básicos de V...