Vasp 5.4.4 Installation Direct

sudo apt update sudo apt install build-essential gfortran wget perl libssl-dev For RHEL/CentOS:

DEBUG = -O0 -g -traceback MKLROOT = /opt/intel/oneapi/mkl/latest MKL_INC = -I$(MKLROOT)/include MKL_LIB = -L$(MKLROOT)/lib/intel64 -Wl,--start-group $(MKLROOT)/lib/intel64/libmkl_intel_ilp64.a $(MKLROOT)/lib/intel64/libmkl_intel_thread.a $(MKLROOT)/lib/intel64/libmkl_core.a -Wl,--end-group -liomp5 -lpthread -lm -ldl vasp 5.4.4 installation

FC = mpiifort FCL = mpiifort

FREE = -free -names lowercase