Editing Installing Gaussian on your local computer (section)

==SETTING-UP GAUSSIAN03 in your local linux machine==

1. Copy the file from the repository into the /usr/local directory tree.
   

Example to copy from the repository in aliga:
   a) cd /usr/local
   b) scp tccguest@aliga.iciq.es:/users_area/gaussian/g03-linux/g03.C02.tgz .
   c) tar -xzvf g03.C02.tgz

2. Copy the files from /usr/local/g03.C02/g03/interactive/* to your work directory.

Example:
   cd /users/pepito/gaussian
   cp /usr/local/g03.C02/g03/interactive/* .

3. Fix the values for variables datafile, datadir, resultdir, TMPDIR in lines 2 to 5 of the g03example1.com file

4. Submit an interactive calculation. This should create the output file example1.out

Example:
   ./g03example1.com

5. If this works, you are set. You can submit your calculations by doing new nom.com, nom.in files

6. If this does not work ...

a) if you get an error like:
   "Erroneous write during file extend. write 1728 instead of 4096
   Probably out of disk space.
   Write error in NtrExt1"
and you are positive you have disk space, try (as root) the magic command:
   echo 0 > /proc/sys/kernel/randomize_va_space
If this fixes the problem, put it in your /etc/rc.local file

b) good luck!

7. If it does work as a superuser (sudo) and not as your own user (probably giving permision errors)

a) Check that files and directories in /user/local/G03.C02/ have the permisions rwxr_x___. If they don't change it with a "chmod -R 750 G03.C02"

b) Check that the owner of these files is your user or a group in which you belong to (like maybe staff). If it is not like that you need to change it: use "chown -R root:yourgroup G03.C02" or "chown -R youruser:users". To check wether you belong or not into a group look at /etc/group.