Molecular modeling on GPUs
Molecular modeling on GPU is the technique of using a graphics processing unit (GPU) for molecular simulations. In 2007, NVIDIA introduced video cards that could be used not only to show graphics but also for scientific calculations. These cards include many arithmetic units (as of 2016, up to 3,584 in Tesla P100) working in parallel. Long before this event, the computational power of video cards was purely used to accelerate graphics calculations. What was new is that NVIDIA made it possible to develop parallel programs in a high-level application programming interface (API) named CUDA. This technology substantially simplified programming by enabling programs to be written in C/C++. More recently, OpenCL allows cross-platform GPU acceleration.
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Abalone (molecular mechanics)CUDAComparison of force-field implementationsComparison of nucleic acid simulation softwareComparison of software for molecular mechanics modelingComputational chemistryFolding@homeGROMACSGeneral-purpose computing on graphics processing unitsGraphics processing unitKlaus SchultenList of computer-assisted organic synthesis softwareList of quantum chemistry and solid-state physics softwareMolecular design softwareMolecular dynamicsMolecular mechanicsMolecular modeling on GPUMolecular modellingNvidiaOpenMMPLUMEDProteinQ (software)QuteMolRommie AmaroStream processingTeraChemVOTCA
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Molecular modeling on GPUs
Molecular modeling on GPU is the technique of using a graphics processing unit (GPU) for molecular simulations. In 2007, NVIDIA introduced video cards that could be used not only to show graphics but also for scientific calculations. These cards include many arithmetic units (as of 2016, up to 3,584 in Tesla P100) working in parallel. Long before this event, the computational power of video cards was purely used to accelerate graphics calculations. What was new is that NVIDIA made it possible to develop parallel programs in a high-level application programming interface (API) named CUDA. This technology substantially simplified programming by enabling programs to be written in C/C++. More recently, OpenCL allows cross-platform GPU acceleration.
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GPUを用いた分子モデリング(molecular model ...... したワークステーションのクラスタに匹敵する能力を持っている。
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Molecular modeling on GPU is t ...... ns based on common processors.
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GPUを用いた分子モデリング(molecular model ...... したワークステーションのクラスタに匹敵する能力を持っている。
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Molecular modeling on GPU is t ...... oss-platform GPU acceleration.
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GPUを用いた分子モデリング
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Molecular modeling on GPUs
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