[Wien] Changes in case_xx.def files

[Marcos Veríssimo Alves]

Hi Laurence,

I will try all you have said. I didn't know about the -assu buff option - I
suppose it is valid for ifort, right?

My scratch is already set. In fact, it was one of the variables I had the
care to set, because I saw the size of the vector files (scary...)

Finally, no problem with slowing down things a little. I'd rather have
things slowed down a few seconds than have two hours lost (that is roughly
the time it takes for running lapw1 -up/dn for my system) plus the hours
when nothing happen until I realize the job has died... And I stil have to
include U and spin-orbit after that!

Thanks a lot,

Marcos

On Wed, Jul 28, 2010 at 9:00 PM, Laurence Marks <L-marks at northwestern.edu>wrote:

> This could be quite a lot of work. Some simpler suggestions:
>
> 1) In param.inc in SRC_lapw[0-2] change to
>      PARAMETER          (restrict_output= 1)
> This will reduce the size of the log files
>
> 2) Use -assu buff in your compilation options -- this writes data in
> big chunks not line-by-line and is much
> friendlier on file servers.
>
> 3) Set the environmental variable SCRATCH (export it from bash should
> work) so large data files such
> as the case.vector_X are local.
>
> 4) In $WIENROOT/parallel_options add (or edit)
> set sleepy      = XX             # additional sleep before checking
> set delay = YY
>
> where XX, YY are adjusted to try and reduce AFS problems ( 0.5 ? --
> this will slow things down but...)
>
>
> 2010/7/28 Marcos Veríssimo Alves <marcos.verissimo.alves at gmail.com>:
> > Hi all,
> > I have managed to run Wien2k in our cluster, with k-point
> parallelization.
> > However, it looks like our NFS system (which is actually an AFS one) is
> > still a bit unstable, since the cluster has been upgraded and
> re-assembled
> > very recently. Problem is, the sysadmins have gone on vacations, so I'll
> > have to find a way of getting around this the best I can until the
> beginning
> > of next month.
> > My current problem is that looks like some nodes of our cluster have been
> > losing connection with the AFS server intermittently, and from what I see
> > (please correct me if I'm wrong) all the writing is done over the network
> to
> > the home directory. So, during the writing of the energy_up files, if the
> > connection is lost then lapw2 will crash. Indeed, one of the instances of
> > lapw1 resulted in an energyup file, in the end, with 0 size. This in turn
> > made lapw2 crash, and this has happened overnight.
> > My question is, I would like to make a small (I guess) change in the
> > scripts, wherever needed. Instead of writing some files (only the ones
> that
> > are critical for the execution of the next code) to the home, which would
> be
> > done over AFS, they would be done in the scratch directory, which is
> local.
> > Then, at the end of the execution, they would be copied to the home
> > directory, possibly with a check on the success of the operation. I don't
> > know if this would be better, but at least the problems with network load
> > would be much more punctual, and it could also be more prone to error
> > control.
> > Since I do not have much knowledge of csh programming (I'm mostly a bash
> > guy) and the Wien2k scripts are pretty complex beasts to which I am not
> very
> > acquainted, could you give your opinions on the feasibility of my
> > suggestions, and if they are not too complex to implement, possible
> changes
> > and/or places to be changed in the scripts?
> > Best regards,
> > Marcos
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
> >
>
>
>
> --
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2220 N Campus Drive
> Northwestern University
> Evanston, IL 60208, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> email: L-marks at northwestern dot edu
> Web: www.numis.northwestern.edu
> Chair, Commission on Electron Crystallography of IUCR
> www.numis.northwestern.edu/
> Electron crystallography is the branch of science that uses electron
> scattering and imaging to study the structure of matter.
> _______________________________________________
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>
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