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Item Toward Estimation of Yarn-Level Cloth Simulation Models(The Eurographics Association, 2018) Martín-Garrido, Alberto; Miguel, Eder; Otaduy, Miguel Ángel; García-Fernández, Ignacio and Ureña, CarlosEfficient and realistic cloth simulation is an unsolved problem, with yarn-level models emerging as a new alternative thanks to new hardware capabilities. Modeling yarns as flexible rods with persistent contacts enables a very robust and efficient simulation. However, this assumption also complicates the definition of elastic deformation potentials. This work explores more accurate yarn-level cloth models together with experiments that compare model features in order to detect shortcomings in the persistent contact model. In particular, we have implemented a discrete elastic model of flexible yarns with contact which treats yarns as unidimensional splines, together with a model that discretizes yarns using three-dimensional finite elements.Item A Prototype of a Scalable Multi-GPU Molecular Dynamics Simulator for Large Molecular Systems(The Eurographics Association, 2018) Nicolas-Barreales, Gonzalo; Novalbos, Marcos; Otaduy, Miguel Ángel; Sánchez, Alberto; García-Fernández, Ignacio and Ureña, CarlosParallel architectures, in the form of multi-core or multiple computers, have produced a major impact in the field of information technology. GPU devices, as an extreme example of parallel architectures, have been adapted to enable generic computation in massively parallel architectures. Molecular dynamics is a problem that fits perfectly such architectures, as it relies on the computation of many similar interactions between atoms. Moreover, large molecular systems require resources that exceed those available in a single computer, even multi-GPU computers. Therefore, the ideal architecture to simulate molecular dynamics is a distributed multi-GPU cluster, which consists of multiple interconnected computers with one or more GPUs each. A molecular dynamics simulation usually needs days, and even weeks of computation time to produce results that represent only a few microseconds of atom interactions. In contrast, distributed multi-GPU clusters allows us to develop an efficient and scalable simulator. This paper aims to develop a prototype of a molecular dynamics simulator for large molecular systems. It uses the GPU as the main computing device, using only the CPU to control the workflow. We have implemented parallel processing techniques to develop a fully scalable system.