source /home/zhu/int/composer_xe_2015.2.164/mkl/bin/mklvars.sh intel64
source /home/zhu/int/composer_xe_2015.2.164/bin/iccvars.sh intel64
source /home/zhu/int/composer_xe_2015.2.164/bin/ifortvars.sh intel64
source /home/zhu/int/impi/5.0.3.048/intel64/bin/mpivars.sh intel64
export LD_LIBRARY_PATH=/home/zhu/int/composer_xe_2015.2.164/compiler/lib/intel64:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH=/home/zhu/int/mkl/lib/intel64:$LD_LIBRARY_PATH

source ~/.bashrc

which icc ifort icpc mpiifort

./configure -prefix=/home/zhu/software/fftw338 CC=icc F77=ifort MPICC=mpiicc -enable-mpi

make
make install

参考VASP安装与运行_xinming_365的博客-CSDN博客_vasp安装