BigDFT is DFT electronic structure calculation program that uses GPU acceleration. (http://inac.cea.fr/L_Sim/BigDFT/) Latest version: 1.5.2 Installation tested in Fedoea 14 x64 with NVidia GT470 video card. Installing prerequisites: gcc blas-devel lapack-devel openmpi (tested with 1.4.3) NVidia Driver (tested with) Need to disable Nueveu module, add xxxx to grub.conf CUDA Toolbox (tested with 3.2) Enviroment settings: [...]
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