[Wien] Changes in case_xx.def files

[Marcos Veríssimo Alves]

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
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