Chapter 12. The ABINIT software project.

Chapter 12. The ABINIT software project.

The ABINIT software project is an open-source collaborative effort of international scope. The project focuses on the properties of solids using the pseudopotential...

The software can be obtained from The ABINIT documentation is excellent and is included with the distribution (e.g. see the ~/ABINIT/Infos) folder or it can be viewed online. The precompiled binaries installed without a problem and after viewing the tutorial we were able run our first examples.

For developers who need to compile the code themselves the installation instructions also explain how to make the executables from scratch. The code compiled without a problem after selecting a platform dependent 'makefile_macros' from list of example files in the local ~/ABINIT/Machine_dept_files directory. ABINIT compiled on this Pentium II by issuing the command

prompt>ln -s Machine_dept_files/Intel_P6/makefile_IFC_dummy makefile_macros

followed by

prompt>make allseq

as explained in the installation instructions.

To improve performance we changed the compiler options to the ones shown in the table above. This was done by changing the following in our choice of the makefile_macros file:

FFLAGS=-FR -O3 -w -tpp6 -axi

FFLAGS_LIBS= -O3 -tpp6 -axi