centos7.5 安装gaussian09和 gaussianview4

一、安装gaussian09

1. 解压安装包

$ mkdir Gaussian
$ cd Gaussian
$ tar xvf g09_linux.tar

2. 设置环境变量

#gaussian09
export PATH=$Programs/Gaussian/g09:$PATH
export g09root=$Programs/Gaussian
source $g09root/g09/bsd/g09.profile
export GUASS_EXEDIR=$g09root/g09
export GAUSS_SCRDIR=$g09root/g09/scratch/tmp
export LD_LIBRARY_PATH=$g09root/g09

3.错误 PGFIO/stdio: No such file or directory 解决方法：

mkdir -p $GAUSS_SCRDIR

4. g16安装方法基本类似

 

二、安装gaussianview4

1. 安装必要的库

$ yum install glibc-devel.i686 freeglut-devel.i686 mesa-libGLU-devel.i686 libXmu-devel.i686 libstdc++-devel.i686 compat-libstdc++-33.i686 libstdc++-static.i686 libXrender-devel.i686 libXrandr-devel.i686 libXcursor-devel.i686 libXft-devel.i686

2. 解压gv04

$ tar zxvf gv-412-Linux-x86.tar.gz

3. 设置环境变量

#gaussianview4
export GV_DIR=$Programs/Gaussian/gv
export LIBPATH=$GV_DIR/lib
export PATH=$GV_DIR:$PATH
export LD_LIBRARY_PATH=$GV_DIR/lib:$LD_LIBRARY_PATH
alias gv='gview.exe'

4. 运行

$ gv