[Wien] error in k-point parallel execution

[Mahmoud Payami]

Dear Torsten, Stefaan, Badis,

Many Thanks for all your comments on setting up for parallel execution. Now
it works and I feel OK.

With kindest regards,
Mahmoud Payami


> Dear Torsten, Stefaan, Kenneth,
>
> Thank you very much for your patience and valuable helps. I think with
these
> tip I am able to manage.
>
> With kind regards,
> Mahmoud
>
>
> >
> > > > What I mean is: When you log in on condmat2, do you have the same
home
> > > > directory as on localhost? You can test this with "touch
file_of_zero"
> > > > on localhost, then see if it is also present on condmat2.
> > >
> > > I executed the command "touch file_of_zero" on both "localhost" and
> > > "condmat2" and no output resulted but the shell prompt.
> >
> > What Torsten meant is this: the command 'touch file_of_zero' will create
a
> > file with name 'file_of_zero' and no content (this gives you indeed no
> > output but the prompt). Do 'ls -l file_of_zero', to see whether this
file
> is
> > created on localhost (it must). Then go to condmat2, and do 'ls -l
> > file_of_zero' again (without touch first). Does that same file exists
also
> > there? If so, then localhost and condmat2 share the same directory, as
it
> > should. If not, then wien2k will not work in parallel.
> >
> > > > What do you get from "echo $SCRATCH" on localhost and condmat2?
> > >
> > > I get "./" from both pc's.
> >
> > If the directories are indeed shared, ./ should be OK. But for this
types
> of
> > clusters, it is more efficient to put $SCRATCH to /tmp: the large vector
> > files will then be stored in the local /tmp of each machine, and will
not
> > fill the single disk of localhost (but don't forget to clean the /tmp of
> > each machine from time to time...)
> >
> > > > What do you get from "echo $path" on localhost and condmat2?
> > >
> > > I get nothing using "echo $path" but usin "env" I get:
> >
> > For your bash, you need 'echo $PATH'.
> >
> > > > When you log in on condmat2, can you execute lapw1 manually? Try, in
a
> > > > shell: "which lapw1", and if it gives you a response, try "lapw1".
> What
> > > > is the result?
> > >
> > > I tried "which lapw1" on both PC's and obtained:
> > > "/home/wien2k/.WIEN_ROOT/lapw1".
> > >
> > > I tried "run lapw1" on both PC's in the directory TiC which I had
> already
> > > worked with, and obtained:
> > > ------------
> > > ERROR: option lapw1 does not exist !
> >
> > 'run lapw1' does not exist. Use 'x lapw1' instead. (but with 'run lapw1'
> you
> > effictively use the 'run' command, as your output shows).
> >
> > Conclusion: it seems you have installed wien2k on all machines
separately,
> > and did not connect properly their disks. Therefore serial calculations
> > work, parallel ones don't. In a good set-up, you have to install wien2k
> only
> > ONCE on a parallel cluster, namely on the disk that is NFS-shared by all
> > machines (but I can't help you with the technical details about how to
do
> > that).
> >
> > Stefaan
> >
> > _______________________________________________
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> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
> >
>
>
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