Open the makefile.include file in a text editor (like nano or vim ) to verify or adjust paths to your local library installations. If you are using modern Intel OneAPI, ensure your environment variables are sourced ( source /opt/intel/oneapi/setvars.sh ), as the template usually detects MKL automatically. Step 4: Compiling the Code
If using Intel MKL, ensure the MKLROOT environment variable is correctly referenced in the library paths. vasp.5.4.4.tar.gz