# export CUDA_HOME="/usr/local/cuda-9.2"
# sudo tar xvfj AmberTools19.tar.bz2
# sudo tar xvfj Amber18.tar.bz2
# sudo yum -y install tcsh make gcc gcc-gfortran gcc-c++ which flex bison patch bc libXt-devel libXext-devel perl util-linux wget bzip2 bzip2-devel zlib-devel
# sudo yum -y install scipy numpy python-matplotlib
# mv amber18 /apps
# export AMBERHOME="/apps/amber18"
# cd $AMBERHOME
# ./configure gnu (root user)
# make install -j16
# ./configure -cuda -mpi gnu
# make install -j16
# ./configure -openmp gnu
# make install -j16