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Gaussian Installation note on linux

Posted at

Version: Gaussian G16 C.01 linux x86_64 with AVX2 support

Package name: ***.tbJ

Installation step

g16_install.sh
export g16root=/opt/gaussian
mkdir ${g16root}
cd ${g16root}
tar xvfJ ${g16_bin}.tbJ
sudo usermod -aG users ${myname}
chgrp -R users g16
csh ${g16root}/g16/bsd/install
source ${g16root}/g16/bsd/g16.profile

If ${g16root} is not properly set, error of not found g16 will occurs.

Add export g16root=/opt/gaussian to .bashrc can

Known problems:
version C.01 will generate fort.7 in work directory, this is no damage to the running result.
However, to prevent the extra file confusing users, we can add IOp(99/10=0) to prevent generate the extra fort.7 file.

Rerence
https://www.hpc.co.jp/tech-blog/2023/05/29/steps-to-install-best-gaussian16-for-your-computer/
http://bbs.keinsci.com/forum.php?mod=viewthread&tid=34648

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