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libvdwxcMode
libvdwxcMode
Section Hamiltonian::XC
Type integer
Whether libvdwxc should run with serial fftw3, fftw3-mpi, or pfft.
to specify fftw3-mpi in serial for debugging.
pfft is not implemented at the moment.
Options :
libvdwxc_mode_auto :
Use serial fftw3 if actually running in serial, else fftw3-mpi.
libvdwxc_mode_serial :
Run with serial fftw3. Works only when not parallelizing over domains.
libvdwxc_mode_mpi :
Run with fftw3-mpi. Works only if Octopus is compiled with MPI.
Source information
hamiltonian/libvdwxc.F90 : 170
call parse_variable ( namespace , 'libvdwxcMode' , LIBVDWXC_MODE_AUTO , libvdwxc_mode )