Compiling VASP-5.4.4 with Intel MPI-5.0.3

Details Information can be taken from Installing VASP from VASPwiki. This for CPU Compilation

Activate the Intel Compilers/ Intel MPI Environment. In your .bashrc

source /usr/local/intel_2015/parallel_studio_xe_2015/bin/ intel64
source /usr/local/intel_2015/impi/ intel64
source /usr/local/intel_2015/composerxe/bin/ intel64
source /usr/local/intel_2015/mkl/bin/ intel64

At the installation base of vasp.5.4.4 base

# cp arch/makefile.include.linux_intel ./makefile.include

For Linking against Intel-MPI Libraries. Edit makefile.include.linux_intel

# vim makefile.include.linux_intel
MKL_PATH = $(MKLROOT)/lib/intel64
BLACS = -lmkl_blacs_intelmpi_lp64
SCALAPACK = $(MKL_PATH)/libmkl_scalapack_lp64.a $(BLACS)

For Linking Intel MKL Wrapper of fftw at makefile.include.linux_intel

OBJECTS= fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o \

Make the files

# make all

If you wish to build the standard, gamma, non-collinear individually, you should make as below

# make std
# make gam
# make ncl

The vasp binary of standard, gamma-only, and non-collinear version of VASP can be found in the bin folder of vasp

vasp_gam vasp_ncl vasp_std

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