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  • 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
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  • 原文地址:https://www.cnblogs.com/wq242424/p/10706836.html
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