Re: 'ellipsoid' crash -- November 05, 2008 - 21:50

I just got the same problem with 'oblate', and that folder was removed. 
I wonder
if there's a problem with doing this via the NFS mount. Maybe a permissions
thing with directory creation from the python script run on the CPU of another
machine writing results to the mount.

Tyler



Quoting Edward d'Auvergne <edward@xxxxxxxxxxxxx>:

> Tyler,
>
> This is an easy one.  Just delete the ellipsoid directory!
>
> The problem is that the full_analysis.py scipt is not very robust.
> It's checking for the 'ellipsoid/init' directory to determine which
> round of optimisation it is up to.  Maybe it would be an idea to
> modify the script to be more robust to handle the directory existing
> yet the final results file being missing for any round.  I would guess
> that relax was killed during its execution, hence the directory exists
> yet the results are missing.  I can't do this at the moment but if you
> would like play with some python coding to implement it yourself, the
> changes could be incorporated back into relax for the benefit of all.
> This may not be simple though, so just deleting the offending
> directory will do the trick.
>
> Regards,
>
> Edward
>
>
> On Wed, Nov 5, 2008 at 6:59 PM, Tyler Reddy <TREDDY@xxxxxx> wrote:
> > Hi,
> >
> > Using the full analysis script, optimization of the 'ellipsoid' 
> > model crashes
> > out early with the following output:
> >
> > relax> results.write(file='results', dir='ellipsoid/init/', force=True,
> > compress_type=1)
> > Opening the file 'ellipsoid/init//results.bz2' for writing.
> > RelaxError: Cannot open the file 'ellipsoid/init//results.bz2'.  No 
> > such file or
> > directory.
> >
> > I'm not sure why it would try to open this directory though. Isn't 
> > it odd that
> > there are 2 forward slashes?
> >
> > Tyler
> >
> >
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