Vasp 5.4.4: Installation [extra Quality]

Compilation (example targets)

file to define compiler paths and library links. You should copy a template from the directory that matches your system. Purdue University For Intel Compilers + MKL cp arch/makefile.include.linux_intel makefile.include For GNU Compilers + OpenMPI cp arch/makefile.include.linux_gnu makefile.include Purdue University Optional Customization Performance FFLAGS += -march=core-avx2 to the file for modern processors. LLIBS += $(WANNIER90_HOME)/libwannier.a and update CPP_OPTIONS if you need the Wannier90 interface Purdue University 4. Compile the Executables vasp 5.4.4 installation

mpirun -np $SLURM_NTASKS /path/to/vasp_std > vasp.out Compilation (example targets) file to define compiler paths

make veryclean