The ABINIT Users Mailing List ( CLOSED )

["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Hi,

It is a pity that you still don't want to follow the <a
href="http://www.abinit.org/community/?text=netiquette";> netiquette
</a>. Without your input files no one can perform a test to assess if
your problem is coming from the source code or binaries you use.
Nevertheless, the great number of automatic test may lead to suppose
that there is more likely a problem with your binaries. This is
somewhat usual with fortran compilers.
* Reading at the head of your log file :"""
herald :  WARNING -
  The starting date is more than 14 months after the initial release
  of this version of ABINIT, namely Jun 2007.
  Action : please, switch to a more recent version of ABINIT.
  Note that the use beyond 18 months after the release will not be tolerated.
"""
I would recommend that you take the latest source version of Abinit.
Compile it (./configure ; make ). Run the self tests (cd tests ; make
tests_acc). And if the tests went well (have a look at `find . -name
"report"`) run again your case. If the problem remains, please tell us
again but with somewhat more details.
* Also because your output contains some statement like """
scfcge: WARNING -
  Potential-based CG line minimization has trouble to converge.
  The algorithm is restarted with more secure parameters.
"""
I would recommend adding a safer value for "nline" in your input file.
For instance you may try "nline 10".

regards

PMA

On Sun, Sep 21, 2008 at 5:36 AM, sara yazdani <sarayazdani@yahoo.com> wrote:
> Dear all,
>
> According to the enclosed log file, the eigen values have zero norm.
> Surprisingly, I have ran the corresponding input file with lower ecut and it
> has been completed successfully, while adding 5 units to the ecut, I
> received this bug.
>
> What parameters are imposing this bug? What corrections I should make in my
> input?
>
> Regards,
> Sara
>



-- 
Pierre-Matthieu Anglade