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标题: Help to install gaussian16 on ubuntu [打印本页]

作者
Author: rpestana94 时间: 2021-7-20 22:47
标题: Help to install gaussian16 on ubuntu
I need to install gaussian16 in an Ubuntu machine, I need to do the Source Code Installation, I have a tbJ and tbz file, the gaussian instruction seem a little unclear to me, in special when it refers to a group, I don't know what they mean with group so this line: '% chgrp -R grp g16' do not work.
If anyone has more detailed instructions or has a step-by-step installation I will really appreciate it.

作者
Author: abin 时间: 2021-7-20 23:15
You need an IT assistant.

The official manual has illustrated everything needed to install Gaussian on Linux OS.

作者
Author: sobereva 时间: 2021-7-21 02:54
If there is no special reason, please directly use pre-compiled version rather than compiling source code yourself, the latter is significantly more complicated than the former.

The most simple and correct way of installing pre-compiled version of Gaussian is shown in this article: http://sobereva.com/439

作者
Author: rpestana94 时间: 2021-7-22 06:00

sobereva 发表于 2021-7-20 13:54
If there is no special reason, please directly use pre-compiled version rather than compiling source ...

I follow this when I installed gaussian09 but with gaussian16 my advisor send me these files only so this is the only thing I have, I manage to install it but gaussian is not working, gaussview works fine but for gaussian it says:
No executable for file l1.exe.

Search path GAUSS_EXEDIR is "/home/arcadio/Programs/gaussian16/g16/bsd:/home/arcadio/Programs/gaussian16/g16"
: No such file or directory

arcadio is the user name of my computer.

But I don't know why, in my bash file I have:
g16root=/home/arcadio/Programs/gaussian16
GAUSS_SCRDIR=/home/arcadio/Programs/gaussian16/g16/scratch
export g16root GAUSS_SCRDIR
. $g16root/g16/bsd/g16.profile

So I don't know why it take that really long and weird path

作者
Author: sobereva 时间: 2021-7-22 06:18
Please check if there is l1.exe in /home/arcadio/Programs/gaussian16/g16/ folder
If yes, add "export GAUSS_EXEDIR=/home/arcadio/Programs/gaussian16/g16" at the end of .bashrc file, then re-enter the shell, and check if g16 works.

作者
Author: bluewhale 时间: 2021-7-22 07:35
https://gaussian.com/g16/g16_plat.pdf

作者
Author: abin 时间: 2021-7-22 08:09
chmod ug+x l1.exe

You did not follow the official instructions.

作者
Author: c00jsw00 时间: 2021-7-22 08:18
只要安裝PGI編譯器就可以非常容易安裝了..

作者
Author: rpestana94 时间: 2021-7-22 21:44

sobereva 发表于 2021-7-21 17:18
Please check if there is l1.exe in /home/arcadio/Programs/gaussian16/g16/ folder
If yes, add "expor ...

Thanks, professor I manage to install it

作者
Author: rpestana94 时间: 2021-7-22 21:44

bluewhale 发表于 2021-7-21 18:35
https://gaussian.com/g16/g16_plat.pdf

Thanks, I manage to install it

作者
Author: rpestana94 时间: 2021-7-22 21:45

abin 发表于 2021-7-21 19:09
chmod ug+x l1.exe

You did not follow the official instructions.

Thanks, I manage to install it

作者
Author: rpestana94 时间: 2021-7-22 21:45

c00jsw00 发表于 2021-7-21 19:18
只要安裝PGI編譯器就可以非常容易安裝了..

Thanks, I manage to install it

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