For full Requirements for installing VASP-6.4.2, do take a look at Installing VASP.6.X.X

Requirements Needs

• Compilers for Fortran (at least F2008 compliant), C, and C++. For instance, one of the following compiler suites. In my case, I used Intel-2023.1 (Intel OneAPI Base Toolkit + Intel OneAPI-HPC-Kit)
  
• Numerical Libraries, FFTW, BLAS, LAPACK, and ScaLAPACK. I used Intel OneAPI MKL
  
• An implementation of the Message Passing Interface (MPI). I used Intel-OneAPI-MPI

Step 1: Prepare the makefile.include

Select the appropriate makefile.include from arch folder that you resemble your environment. In my case

$ cp arch/makefile.include  ./makefile.include

Step 2: Source Intel Environment

$ source /usr/local/intel/2023.1/setvars.sh
:: initializing oneAPI environment ...
   -bash: BASH_VERSION = 4.4.20(1)-release
   args: Using "$@" for setvars.sh arguments:
:: advisor -- latest
:: ccl -- latest
:: clck -- latest
:: compiler -- latest
:: dal -- latest
:: debugger -- latest
:: dev-utilities -- latest
:: dnnl -- latest
:: dpcpp-ct -- latest
:: dpl -- latest
:: inspector -- latest
:: intelpython -- latest
:: ipp -- latest
:: ippcp -- latest
:: ipp -- latest
:: itac -- latest
:: mkl -- latest
:: mpi -- latest
:: tbb -- latest
:: vtune -- latest
:: oneAPI environment initialized ::

Step 3: Prepare the Intel Optimised BLAS95, LAPACK95 and FFTW.

• Compiling Intel BLAS95 and LAPACK95 Interface Wrapper Library
• Compiling Intel FFTW3 and FFTW2 Interface Wrapper Library

Step 4: Build VASP

I like to use “-j1” as I want the compilation to stop on first error

$ make DEPS=1 -j1 all

Step 5: Test

$ make test