Vasp 5.4.4 Installation

This usually means your INCLUDE path in the makefile isn't pointing to the MKL include folder. Double-check your MKLROOT .

CUDA_ROOT = /opt/cuda

Version 5.4.4 introduced several enhancements over previous iterations: SCAN Functional: Includes support for the SCAN metaGGA functional and SCAN+rVV10. GPU Support: Improved performance for the CUDA-C GPU port vasp 5.4.4 installation

MKL_PATH = /opt/intel/compilers_and_libraries/linux/mkl FFTW_PATH = $(MKL_PATH)/interfaces/fftw3x This usually means your INCLUDE path in the