Scaling VASP with NVIDIA Magnum IO

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You could make an argument that the history of civilization and technological advancement is the history of the search and discovery of materials. Ages are named not for leaders or civilizations but for the materials that defined them: Stone Age, Bronze Age, and so on. The current digital or information age could be renamed the…

I had the pleasure of working with the other authors to learn a lot more about VASP, quantum chemistry, and how asynchronous parallel communications helps many GPUs to scale applications. It’s great to illustrate the benefits of Magnum IO NCCL with hard data. If you have any question or comments, please let us know.