centos7.5 安裝gaussian09和 gaussianview4

一、安裝gaussian09

1. 解壓安裝包

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

2. 設置環境變量

#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.錯誤 PGFIO/stdio: No such file or directory 解決方法：

mkdir -p $GAUSS_SCRDIR

4. g16安裝方法基本類似

 

二、安裝gaussianview4

1. 安裝必要的庫

$ 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. 解壓gv04

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

3. 設置環境變量

#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. 運行

$ gv