Note : For Intel environments, the Intel Math Kernel Library (MKL) provides these components in a single package. 2. Build System Structure As of version 5.4.1, VASP uses a hierarchical build system: : Contains the high-level makefile .
Before touching the source, verify these components. Version mismatches are the #1 source of "inexplicable" errors. vasp 5.4.4 installation
Run make all in the root directory to build all versions ( vasp_std , vasp_gam , vasp_ncl ). Alternatively, build them individually using make std , make gam , or make ncl . Note : For Intel environments, the Intel Math