[Wien] scp error

[Yundi Quan]

Thank Stefaan and Michael for your prompt replies.

My $SCRATCH file is set to ./ in the .bashrc file. I forgot to mention
that I used x lapw2 -qtl -p -it rather than x lapw2 -qtl -p. The
option -it tells WIEN2k to use iterative diagonalization, which should
not be a problem. In uplapw2_1.def, it says that
10,'./case.vectorup_1', 'unknown','unformatted',9000

I think this line tells lapw2 where to find the vector. But again, ./
seems to mean my home directory rather than my working directory.

I tried making a new scratch directory and set the $SCRATCH to that
directory as suggested by Michael. I hope it works.



Yundi



On Tue, Jun 4, 2013 at 2:34 AM, Yundi Quan <yquan at ucdavis.edu> wrote:
>
>
> ---------- Forwarded message ----------
> From: Yundi Quan <quanyundi at gmail.com>
> Date: Tue, Jun 4, 2013 at 2:19 AM
> Subject: [Wien] scp error
> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>
>
> Hi,
> I'm working on a cluster 8 quadcore nodes. Nodes are called n001,
> n002, n003, n004... I use torque PBS queue system. When I submit a job
> using a bash file, the default directory is always my home directory.
> Therefore, at the beginning of my bash file, I always add a line 'cd
> /home/my_username/wien2k/case'. This works for scf calculations.
> However, when I use x lapw2 -qtl -band -p to calculate the band
> structure or x lapw2 -qtl -p to calculate the DOS, I always encounter
> the following error message:
> scp: .//case.vector_1 not found
> scp: .//case.vector_2 not found
> ...
>
> It seems scp is looking for case.vector_1 in my home directory rather
> than my working directory, even though I've added the line 'cd
> /home/my_username/case' in my bash file. This problem only occurs with
> using x lapw2 -qtl -p. I used to do scf calculation in serial and then
> use x lapw2 -qtl. But I'm wondering whether there is a workaround.
>
>
> Thanks.
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