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["Josef W. Zwanziger" <jzwanzig@dal.ca>]

Thanks Pierre-Matthieu and Marc for your suggestions. Not much progress so
far, the behavior seems very strange.

In my ground state run my "file of files" looks like:
Foo.in
Foo.out
Fooi
Fooo
<ps names>

This produces the gs wavefunction Fooo_WFK. I copy it to a new directory as
Fooi_WFK, and run a response function calculation with irdwfk 1. This run
fails with the error message I had in my original post. On the other hand,
if I copy it as Fooo_DS1_WFK and then run exactly the same response function
calculation with getwfk 1, it works. Is this a bug? Or a "feature" I don't
understand?

Thanks,
Joe

Josef W. Zwanziger                                 
Prof. of Chemistry
Canada Research Chair in NMR Studies of Materials
Director, Atlantic Region Magnetic Resonance Centre
Dalhousie University
Halifax, NS B3H 4J3 
Canada

tel: 902.494.1960     net: jzwanzig@dal.ca
fax: 902.494.1867     web: http://jwz.chem.dal.ca


-----Original Message-----
From: Anglade Pierre-Matthieu [mailto:anglade@gmail.com] 
Sent: August 14, 2007 3:44 AM
To: forum@abinit.org
Subject: Re: [abinit-forum] irdwfk problem in v. 5.3.4


Dear Joseph

Amazing. I usually get almost this exact message when I switch from big
endian to little endian computer and messed up the endianness variable.
However you do not mention such nasty thing, do you. Sometimes when I can't
get the expected result with irdwfk, I use getwfk instead although this is
supposed to give the same result. Have you tryed this ?

regards


PMA


On 8/13/07, jzwanzig@dal.ca <jzwanzig@dal.ca> wrote:
> Dear Colleagues,
>
> somehow I think I've had this problem before but am not sure. At any 
> rate, I am doing response function calculations similar to tutorial 2 
> on response functions. In one run I generate the ground state 
> wavefunction. In another run I use nqpt = 1 and a finite qpt, and use
irdwfk = 1 to read in the groundstate wavefunction (having changed the name
from foo_WFK to fooi_WFK). The system finds the file, opens it, reads the
header, and dies with the following message: -P-0000 -P-0000
============================================================================
====
> -P-0000
> -P-0000           - hdr_check: checking restart file header for
consistency -
> -P-0000
> -P-0000
> -P-0000         current calculation                         restart file
> -P-0000         -------------------                         ------------
> -P-0000
> -P-0000   calculation expects a wf_planewave    |  input file contains a
wf_planewave
> -P-0000 . ABINIT  code version 5.3.4            |  ABINIT  code version
> -P-0000
> -P-0000  hdr_check: BUG -
> -P-0000   input fform=         2 differs from disk file fform=         0.
> -P-0000
> -P-0000  leave_new : decision taken to exit ...
> -P-0000  leave_new : synchronization done...
> -P-0000  leave_new : exiting...
>
>
> Any suggestions?
>
> thanks,
> Joe
>


-- 
Pierre-Matthieu Anglade