Subject: Re: CCL:Gaussian checkpoint files

From: Anselm Horn <Anselm.Horn{at}chemie.uni-erlangen.de>
Date: Mon, 28 Jul 2003 10:38:57 +0200 (MET DST)

Hello,

> I think you should use %no save keyword
> this way the check point file freshly created will not be written on to the 
> previous one.
> It should be written after the line stating the check point file

unfortunately, this is not a good idea, because the NOSAVE keyword really
is a NOKEEP, i.e. the specified files are not kept but rather deleted.

The manual says that NOSAVE "causes Link 0 to delete scratch files at the
end of a run".

This means that after the first run from a number of jobs all referencing 
the same chk file with NOSAVE the precious chk file will be gone.

I suggest writing a script that copies the chk files before the
calculation, runs the Gaussian jobs interactively, and finally deletes the
chk files, if you do not have the disk space for the complete set of chk
files.

Regards,

Anselm