Run the following command to install all standard open-source prerequisites:
VASP is proprietary software. You must obtain the source code archive ( vasp.5.4.4.tar.gz ) directly from the official VASP portal via your organization's license. 1. Extracting the Archive
: Gamma-point-only optimized version (doubles speed for large molecules or isolated clusters).
export PATH=/path/to/your/vasp.5.4.4.pl2/bin:$PATH vasp 5.4.4 installation
After a successful build, verify the existence of the binaries: ls -l bin/vasp_std bin/vasp_gam bin/vasp_ncl Use code with caution. Copied to clipboard Common Issues & Tips Installing VASP.5.X.X - VASP Wiki
VASP 5.4.4 works perfectly with:
# Minimal compilation pipeline tar -xzf vasp.5.4.4.tar.gz cd vasp.5.4.4 cp arch/makefile.include.linux_intel makefile.include # Edit makefile.include with your settings make veryclean make all ls -la bin/ Run the following command to install all standard
Typical build recipes
Verify that the INCS variable in makefile.include correctly points to your FFTW or MKL include path (e.g., -I$(MKLROOT)/include/fftw ). 2. Undefined reference to ... (Linker Errors)
vasp_std : The standard parallel version for general bulk calculations. vasp 5.4.4 installation
DEBUG = -O0 -g -traceback
Intel Fortran ( ifort ) and C/C++ ( icc / icpc ) OR GNU GCC ( gfortran , gcc , g++ ). MPI Implementation: Intel MPI ( impi ) OR OpenMPI / MVAPICH.