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Speeding up plane-wave electronic-structure calculations using graphics-processing units, S.

VASP on a GPU: Application to exact-exchange calculations of the stability of elemental boron, M.

Accelerating VASP Electronic Structure Calculations Using Graphic Processing Units, M.

If you'd like to read up on this topic, have a look at:

Jeroen Bedorf, Przemyslaw Tredak, Dusan Stosic, Arash Ashari, Paul Springer Darko Stosic, Christoph Angerer, and Sarah Tariq (NVIDIA).

Mohamed Hacene, Ani Anciaux-Sedrakian, Diego Klahr, and Thomas Guignon (IFPEN).

Xavier Rozanska and Paul Fleurat-Lessard (ENS-Lyon).

MedeA-VASP includes a comprehensive graphical interface to set up, run and analyze VASP calculations. A 3D viewer for molecular charge distributions.

Maxwell Hutchinson (University of Chicago) and Mike Widom (Carnegie Mellon).ĭownload VASP Data Viewer for free.

Application of the real-space projection operators The GPU port of VASP only exists because of the excellent work of the following people:.

NEW RELEASE: VASP with GPU support A new release of VASP, version 5.4.1.05Feb16, is available for download now (for all holders of a valid 'VASP.5.2' license)! This release includes a port of VASP for GPU accelerated hardware! Several core algorithms of VASP have been ported to run on GPU accelerated hardware, e.g.: