Let's dissect a robust makefile.include for an Intel cluster. I'll add extensive comments.
# Compiler and MPI wrapper
FC = mpiifort # Intel MPI wrapper for ifort
FCL = mpiifort # Linker; same as FC usually
Create a simple test directory with example inputs (e.g., a silicon bulk calculation). Run with 2-4 MPI processes: vasp 5.4.4 installation
mpirun -np 4 ./bin/vasp_std
Check the OUTCAR file for:
make veryclean # Wipe previous attempts
make std # Standard version (no additions)
make gam # Gamma-only version (for large systems, ~2x faster)
make ncl # Non-collinear version (for magnetism/SOC)
But the real power is make all, which builds std, gam, and ncl simultaneously. They share objects, so subsequent builds are faster. Let's dissect a robust makefile
For production, you'll likely only need: Check the OUTCAR file for: make veryclean #
make std
cp vasp vasp_std