To proceed the installation of the serial version, move to the directory, 'source', and modify the makefile in 'source' to specify the compiler and libraries by CC and LIB. The default for the specification of CC and LIB in makefile is as follows:
CC = gcc -O3 -Dnompi -Dnoomp -I/usr/local/include -I/home/ozaki/include
LIB = -L/usr/local/lib -lfftw3 -llapack -lblas -lg2c -static
where '-Dnompi' means that MPI is not used, and '-Dnoomp' means that OpenMP
is not used. These options must be added if you want to generate the serial
version in all cases when you change a compiler.
You have to set the CC and LIB appropriately on your
computational environment so that the compilation and linking
can be correctly performed and the executable file can be well
optimized. After specifying the CC and LIB, install as follows:
% make install
When the compilation is completed normally, then you can find the
executable file,
openmx, in the directory, 'work'.
You may change the compiler to make the executable file efficient, and
if the intel compiler, icc, is used, the specification may be like this:
CC = icc -O3 -Dnompi -Dnoomp