[Pw_forum] d3 errors in file reading

[matthieu verstraete]

Hello Paolo, thanks for answering

On Fri, Sep 24, 2010 at 6:48 PM, Paolo Giannozzi <giannozz at democritos.it> wrote:
>
> On Sep 24, 2010, at 10:50 , matthieu verstraete wrote:
>
>> (Paolo Giannozzi was recommending going back to v.1.x,
>
> I beg your pardon? when did I recommand anything like
> this?
this was in an old post in the pw_forum archives. I found but few more
recent posts about d3, so imagined it might still be appropriate. This
is obviously not the desirable path.
http://www.democritos.it/pipermail/pw_forum/2003-June/000339.html


> The first error you get means that there is nothing in the
> input data. Try "-inp input-file"
in the parallel case this is what I do (mandatory for all q-e
executables in IBM batch jobs). In sequential (when input reading
_does_ work) I just use d3.x < i.d3

pw.x and ph.x have no problems with the -inp directives. Don't know why d3 does.


> For the second: try example 14 first
I did this of course. On my linux box it works fine. On IBM it's much
more pain because the parallel executable can not be launched from the
command line. I don't expect qualitative differences.
My input is directly copied from example14 - one possible difference
is that it's a metal (antimony) instead of silicon, but I still
haven't managed to find out what the davcio error is due to.

cheers

Matthieu


>
> P.
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>



-- 
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Prof. Matthieu Verstraete

Universite de Liège
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