MPI/OpenMP version

To generate the MPI/OpenMP hybrid version, all you have to do is to include a compiler option for OpenMP parallelization for CC and FC in 'makefile' in the directory 'source'. To proceed the installation of the MPI/OpenMP version, move to the directory 'source', and specify CC, FC and LIB in 'makefile', for example, as follows:
For icc

     CC = mpicc -O3 -xHOST -ip -no-prec-div -qopenmp -I/opt/intel/mkl/include/fftw
     FC = mpif90 -O3 -xHOST -ip -no-prec-div -qopenmp

Note that the compiler option for OpenMP depends on compiler, while the option corresponds to '-qopenmp' for the Intel compiler, After specifying CC, FC, and LIB appropriately, then install as follows:

     % make install
   

When the compilation is completed normally, then you can find the executable file 'openmx' in the directory 'work'. To make the execution of OpenMX efficient, you can change a compiler and compile options appropriate for your computer environment, which can generate an optimized executable file.