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Please visit the main website http://jdftx.org for the official online documentation.

Use this Wiki to contribute documentation or share information with other users and developers. We will periodically migrate relevant content from here to the official documentation.

Compilation method on OLCF Summit:

module unload xl
module load cuda
module load gsl
module load openblas
module load fftw
module load cmake

CC=gcc CXX=g++ cmake \
   -D EnableCUDA=yes \
   -D CUDA_ARCH=compute_70 \
   -D CUDA_CODE=sm_70 \
   -D CompileNative=yes \
   -D FFTW3_PATH="$OLCF_FFTW_ROOT" \
   -D GSL_PATH="$OLCF_GSL_ROOT" \
   ../jdftx