MPI version

As well as the case of the serial version, to generate the MPI version only thing you have to do is to specify CC and LIB in the makefile in 'source'. To proceed the installation of the MPI version, move to the directory, 'source', and specify CC and LIB in the makefile as follows:

     CC    = mpicc -Dnoomp -O3 -I/usr/local/include
     LIB   = -L/usr/local/lib -lfftw3 -llapack -lblas -lg2c -static

Of course, the specification depends on your computer environment. After specifying CC 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 computational environment, which can generate an optimized executable file. Several examples for CC and LIB can be found in makefile in the 'source' directory for your convenience.