Molecular modeling on GPU is the technique of using a graphics processing unit (GPU) for molecular simulations. ... In 2007, NVIDIA introduced video cards that ...
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Modern graphics processing units (GPUs) contain hundreds of arithmetic units and can be harnessed to provide tremendous acceleration for numerically intensive ...
Dec 10, 2023 · This is the realm of molecular simulations, where we unlock the secrets of life at the atomic level by using GPU.
Over the past decade, graphics processing units (GPUs) have become fully programmable parallel computing devices capable of accelerating a wide variety of.
New GPU features in NAMD 2.11. • GPU-accelerated simulations up to twice as fast as NAMD 2.10. • Pressure calculation with fixed atoms on GPU works as on CPU.
Jul 8, 2010 · This paper surveys the development of molecular modeling algorithms that leverage GPU computing, the advances already made and remaining ...
Molecular Modeling on GPUs ... • GPU algorithms are often multicore-friendly due to ... Accelerating molecular modeling applications with graphics processors.
Abstract. A previous study of MD algorithms designed for GPU use is extended to cover more recent developments in GPU architecture.
GPUs have been proposed and used to accelerate many scientific computations including MD simulations. Herein, we describe the new methodologies developed ...
50 million atoms scale molecular dynamics modelling on a single consumer graphics card. Citation Excerpt : For GPU implementations, the linked-cell algorithm ...