Add -D_OPENMP and -qopenmp to FFLAGS, set OMP_NUM_THREADS=2 or 4 . Use with MPI processes to reduce memory bandwidth contention.
This defines which parts of the code to include. vasp 5.4.4 installation
cp arch/makefile.include.linux_intel makefile.include Add -D_OPENMP and -qopenmp to FFLAGS, set OMP_NUM_THREADS=2
VASP (Vienna Ab initio Simulation Package) is one of the most powerful and widely used software packages for electronic structure calculations and quantum-mechanical molecular dynamics. Version 5.4.4, while not the absolute latest release, remains a workhorse in the computational materials science community due to its stability and mature feature set. Add -D_OPENMP and -qopenmp to FFLAGS