[Pw_forum] error: "ortho went bananas" in cp.x run

[Bramha Pandey]

Dear Emine,
Thanks for your help.
But when i am installing the following error is coming. I am installing
with ifort-Fortran Compiler XE 13.0.

electrons.f90(840): error #6404: This name does not have a type, and must
have an explicit type.   [TWO_FERMI_ENERGIES]
          IF (two_fermi_energies.and.lgauss) bfield(3)=0.5D0*(ef_up-ef_dw)
--------------^
electrons.f90(840): error #6404: This name does not have a type, and must
have an explicit type.   [EF_UP]
          IF (two_fermi_energies.and.lgauss) bfield(3)=0.5D0*(ef_up-ef_dw)
--------------------------------------------------------------^
electrons.f90(840): error #6404: This name does not have a type, and must
have an explicit type.   [EF_DW]
          IF (two_fermi_energies.and.lgauss) bfield(3)=0.5D0*(ef_up-ef_dw)
--------------------------------------------------------------------^
compilation aborted for electrons.f90 (code 1)
make[2]: *** [electrons.o] Error 1
So please tell me how i can i get rid of this error?

On Wed, Dec 12, 2012 at 3:36 PM, Emine Kucukbenli <kucukben at sissa.it> wrote:

>
> Dear Brahma Pandey
> Please follow the instructions in the link below to download the svn
> version of the code
> http://qe-forge.org/gf/project/q-e/scmsvn/?action=AccessInfo
> Compile, make and run the same job with this latest version of the
> code using USPP pseudos
> and let us know how it works out for you.
> Thanks,
> emine
>
> Quoting Bramha Pandey <pandey.bramha at gmail.com>:
>
> > Dear Emine and Prof. Paolo,
> > Thanks for your reply. I am able to run cp.x  with NCPP pseudo-potentials
> > with putting the orthonormalization= 'ortho' and puting the dt=2, as
> > suggested by Prof. Paolo. But facing to run USPP type pseudopotntial in
> > cp.x and gives the above mentioned error:   ' ortho went bananas'.
> > ....
> >
> >> Besides Paolo's suggestions:
> >>
> >> 1.I would specifically add that atomic positions are in crystal
> >> coordinates by {crystal}
> >> 2.Update to the latest version of the code,
> >
> > I am using espresso-5.0.1 with 32 machine in serial mode (single machine
> ).
> >
> >> or even SVN version,
> >> since certain type of ultrasoft pseudopotentials were not treated
> >> correctly in cp until not that long ago.
> >>
> > Then how i can check which USPP type should we use in cp.x run because
> > i  face the problem to run the USPP based cp.x run.
> >
> >> 3.Perform the same calculation with norm conserving pseudopotenials
> >> and let us know if anything changes.
> >>
> > I am able to run cp.x for the norm conserving pseudopotenials.
> >
> >>
> >> --
> > Thanks and Regards
> > Bramha Prasad Pandey
> > Indian School of Mines(ISM)
> > Dhanbad, INDIA.
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
Thanks and Regards
Bramha Prasad Pandey
Indian School of Mines(ISM)
Dhanbad, INDIA.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20121213/ddc3bc9e/attachment.html>