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Results tagged with graphical-processing-unit
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user 8627
For questions about GPUs (graphical processing units) in the context of designing and performing material simulations.
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Problem with using VASP with ase on a GPU
I am a newbie using VASP, currently I am trying to calculate the formation energy per atom and pre bandgap using DFT with VASP on a GPU machine.
I wrote the following script for calculating the bandga …
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