Gaussian和Gaussian_view安装

发表于2018年8月27日由daizao

安装过程是帮已购买的朋友安装，系统Centos6.5，cpu指令集：AVX2

tar -xf Gaussian16/G16-A03-AVX2.tbz -C /opt/biosoft/
cd /opt/biosoft/g16/
export g16root=/opt/biosoft
mkdir /opt/biosoft/g16/scratch
export GAUSS_SCRDIR=/opt/biosoft/g16/scratch/
source /opt/biosoft/g16/bsd/g16.profile
vim /opt/biosoft/g16/Default.Route
#写入如下指令
-M- 30GB
-P- 16
./bsd/install #必须在g16路径下如：/opt/biosoft/g16
chmod 750 -R *
#事先需要先安装Gaussian16
tar -xf gv6.tar.bz2 -C /opt/biosoft/g16/gv
./gview.sh
export PATH=/opt/biosoft/g16/gv/:$PATH

软件官方链接：http://gaussian.com/products/

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