Compiling libfftw3_intel.a library

A simple procedure to get the libfftw3xf_intel.a library which is used for VASP code is as follow.

From $MKL_ROOT/fftw/interfaces/ directory, copy fftw3xf directory to your local directory.

Read the makefile option by typing

make help

This will display the options.

Now, just type

make libintel64   (and Enter)

Without any problem, you will get libfftw3xf_intel.a library.

Now you can use this library file to compile VASP.

Problem in compiling VASP5.2 code (FFTW3 libarary problem)

When compiling VASP5.2 code, error related to FFTW3 often occurs when we compile (using make)

The common error ask us to include fftw3.f

This means that the dependency file fftw2.h is not present in the current directory or there is no link given.

To resolve this problem, go to the directory where fftw3 is installed ( if not already installed, go to this page to see how you can install fftw3 library.

Inside the fftw3.x.x directory, there will be /include directory. It contains the file fftw3.h

Copy this file inside of VASP5.2 directroy.

Or compile vasp with the link -I$PATH_TO_FFTW. For example, if you have installed fftw3 in /user/fftw3.1.1/include/fftw3.h

After this, you may encounter following error.

make: *** No rule to make target `/aracbox/intel/Compiler/11.1/046/mkl/interfaces/fftw3xf/libfftw3xf_intel.a', needed by `vasp'. Stop.
(will be updated soon)