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[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Dear Timmy and Martin,

This has nothing to do with the size of the system ... see below ...

Ramirez-Cuesta, AJ (Timmy) wrote:
> Martin.
> Possibly you are right. However, I cannot see how on earth you'll need a
> file 2GB big, to calculate the vibration frecuencies of a system with 12
> atoms, if we are talking of 1000, but just 12?
>
> regards,
> Timmy
>
>
>
> > Timmy,
> >
> > just guessing here, but I have had similar problems when running
> > such large jobs on a 32-bit machine (Pentium under linux).
> > I guess that the output file is slightly over 2 Gigabytes...?
> >
> > If so, run the problem on a 64-bit machine and you should have any
> > problems.
> >
> > Regards,
> > Martin Tijssens


> > > This is the error message I am getting
> > >
> > > Input/Output Error 169: Output file capacity exceeded
> > >
> > >   In Procedure: wght9
> > >        At Line: 131
> > >
> > >      Statement: Formatted WRITE
> > >           Unit: Internal File
> > >  Record Number: 1

Look at the routine wght9.f , line 131 :

   write(message, '(a,a,a,i4,a,a)' )&
&   ' wght9 : ERROR -',ch10,&
&   '  nqshft must be 1, 2 or 4. It is nqshft=',nqshft,'.',ch10,&
&   '  Action : change nqshft in your input file.'

There is a "bug" in the error message format (sorry for this) :
there are 7 fields, while the format specifies only 6 fields ...
It should be

   write(message, '(a,a,a,i4,a,a,a)' )&

Then, you have to solve the error with the nqshft, likely your
input variable is not OK ?!

Good continuation,
Xavier