VASP 5.4.4 standard compilation builds three distinct binary versions designed for specific physical simulations:
Intel OneAPI (recommended) or GNU Compiler Collection (GCC). MPI Library: OpenMPI or Intel MPI.
Once the compilation completes successfully, the binaries will be located in the bin/ directory within your VASP folder: vasp_std vasp_gam vasp_ncl vasp 5.4.4 installation
cd testsuite make test
Note: The DEPS=1 flag ensures dependency files are generated correctly, preventing build racing conditions across multiple CPU cores. VASP 5
Below is a makefile.include for Intel compilers + MKL + FFTW with OpenMP support.
For modern systems utilizing the Intel toolchain (Compilers and MKL), copy the standard Intel template: cp arch/makefile.include.linux_intel ./makefile.include Use code with caution. Modifying the makefile.include vasp 5.4.4 installation
Intel MKL FFTW wrappers. 2. Preparing the Installation Directory