Vasp.5.4.4.tar.gz Jun 2026

# Precompiler options CPP_OPTIONS = -DMPI -D openmp -Duse_collective -DscaLAPACK -DCACHE_SIZE=4000

| Use Case | Recommendation | |----------|----------------| | Production HPC | Compile with -O2 -xHost (Intel) or -O3 -march=native (GNU) | | Debugging | Add -g -traceback and use make gfortran | | Gamma-only version | Use vasp_gam for large supercells | | Non-collinear magnetism | Use vasp_ncl | vasp.5.4.4.tar.gz

Unlike many academic tools, VASP is or public domain. It is a licensed program sold on a per-research-group basis. # Precompiler options CPP_OPTIONS = -DMPI -D openmp