Vasp - 5.4.4 Installation

source /opt/intel/oneapi/setvars.sh Unpack your VASP 5.4.4 tarball:

make veryclean Build the main executable: vasp 5.4.4 installation

make gam # Gamma-only version make ncl # Non-collinear ./vasp_std Should print: source /opt/intel/oneapi/setvars

For additional versions:

make std This produces vasp_std .

running on 1 total cores distrk: each k-point on ... Test with a small example (e.g., examples/example1 ). Add in makefile.include : vasp 5.4.4 installation

tar -xzf vasp.5.4.4.tar.gz cd vasp.5.4.4 Copy the template for Intel MPI: