And it's easy. I've presumed that your username is verahill, and your group is verahill.
You need csh
sudo apt-get install csh
Next set up a destination directory
mkdir /opt/gaussian sudo chown verahill:verahill /opt/gaussian copy the gaussian binaries to /opt/gaussian/g09 so that you have
/opt/gaussian/g09 |-- basis |-- bsd `-- tests |-- com |-- ia64 `-- newz
Gaussian wants almost everything to be executable chmod +x /opt/gaussian/g09/* chmod +x /opt/gaussian/g09/bsd/* cd /opt/gaussian/g09 csh bsd/install Next, edit your ~/.bashrc and add (anywhere)export g09root=/opt/gaussian export GAUSS_SCRDIR=/scratch . /opt/gaussian/g09/bsd/g09.profile export PATH=$PATH:/opt/gaussian/g09/bsd:/opt/gaussian/g09/local
Source your bashrc to make changes take effect immediately:
source ~/.bashrc
You need to edit the bashrc of anyone wanting to use gaussian
And you're done!
When I type csh bsd/install, nothing was done. What should I do next?
ReplyDeleteYou need to provide more information.
DeleteWhat distro of linux? Version? Have you install csh? What do you mean by 'nothing' was done (what did you expect would happen)? Have you followed the remaining steps and tried to run a job?
I've looked at the install script -- there's nothing that should be printed so you're probably fine.
DeleteThanks for your reply. I don't see any error messages.
DeleteSo does gaussian run computational jobs as it is supposed to? i.e. is there any problem to resolve or is everything working?
DeletePGFIO/stdio: No such file or directory
ReplyDeletePGFIO-F-/OPEN/unit=11/error code returned by host stdio - 2.
File name = /scratch/Gau-28566.inp
In source file ml0.f, at line number 182
ı have a problem..please help me
You'd need to provide more information
DeleteIn the step, that I edited bashrc file, I dont have a local folder in my g09/
ReplyDeleteplease help, my gaussian has linda package, would it make it different or what ?
Thanks
Amin, I'm afraid I don't have any experince with linda, and I don't know what the directory structure is like, or what would need to be done differently. If someone has an idea I'd be happy to publish the answer.
DeleteHi ı done all commands and it is succesfull but how can start gaussian ?
ReplyDeleteMuchísimas gracias! por este aporte tan detallado.
ReplyDelete