[Pw_forum] Line 325 in bands_FS.f90

[Axel Kohlmeyer]

On Thu, 2009-03-26 at 12:34 -0700, Paul M. Grant wrote:
> While running bands_FS.x (espresso-4.0 distro) on the output of an PW
> nscf non-spin-polarized job, I get the following error:
> 
> At line 325 of file bands_FS.f90
> 
> Fortran runtime error: Bad real number in item 5 of list input

paul,

please check your input carefully with hexdump to make 
sure you have no non-ascii characters in there. with some
fonts it is hard to tell. i'm attaching a wrapper script that 
i use myself, which is little bit easier to read (at least for
me, as it emulates the hexdumper display that i was
using back in the days when i was hacking 6502 processors 
which almost broke the 1MHz barrier...). i miss begin able
to fix bugs in running programs by replacing goto opcodes 
with NOPs... ;-)

cheers,
   axel.


> 
> This only happens for my LSDA=F runs, spin-polarized are OK.  (BTW,
> the LSDA=F run for Ni in example 08 does work.  The only difference is
> that
> 
> ex08 deals with only 8 bands and 1 formated line, whilst my task
> computes 20 taking up 3 formated lines.)  Line 325 is in the LSDA=F
> portion of the code follows a commented-out read command line with
> explicit formatting.  I can't see any problem with the output of my
> nscf run.  Before I start messing around with the bands_FS.f90 source,
> has anyone else run into this issue (Eyvaz?)?  Is it possible there is
> a "line counting" error in the LSDA=F portion when the band energy
> listing exceeds one line?  Sorry if I've made some stupid blunder.
> 
> Paul M. Grant, PhD
> 
> Physicist and Science Writer
> 
> Principal, W2AGZ Technologies
> 
> Visiting Scholar, Applied Physics, Stanford (2005-2008)
> 
> EPRI Science Fellow (Retired)
> 
> IBM Research Staff Member Emeritus
> 
> w2agz at pacbell.net
> 
> http://www.w2agz.com
> 
>  
> 
>  
> 
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-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.
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