[Pw_forum] Format problem in projwfc.x?
Reinaldo Pis Diez
reinaldo.pisdiez at gmail.com
Thu Aug 3 15:22:32 CEST 2017
Dear Paolo
Thanks for the quick answer. I add the format id, recompiled and
projwfc.x works fine.
On 02/08/17 17:53, Paolo Giannozzi wrote:
> There is a bug (fixed yesterday): add %m to the last occurrence of
> "nlmchi(nwf)". Paolo
>
> Il 02/ago/2017 10:30 PM, "Reinaldo Pis Diez"
> <reinaldo.pisdiez at gmail.com <mailto:reinaldo.pisdiez at gmail.com>>
> ha scritto:
>
> Dear folks
>
> I'm running a series of jobs to get the total and partial DOS of
> TiO2-based systems. I'm using QE-6.1 under CentOS 6, compiled with
> gfortran and blas+lapack+atlas+openmpi from rpm files.
>
> Both geometry + lattice relaxation and nscf jobs ends without any
> problem, but when I run projwfc.x I obtain the same message
> for all
> the systems studied so far:
>
> At line 2187 of file projwfc.f90 (unit = 33, file =
> 'casoNi2a_proj.projwfc_up')
> Fortran runtime error: Expected INTEGER for item 13 in formatted
> transfer, got REAL
> (2i5,1x,a4,1x,a2,1x,3i5)
> ^
> (The ^ accent is below 3i5). The input for projwfc.x is very
> simple
>
> &projwfc
> prefix = 'casoNi2a_5x5x5_U6.2'
> outdir = '/tmp/casoNi2a_5x5x5_U6.2'
> Emin = 0.0
> Emax = 30.0
> DeltaE = 0.01
> lsym = .true.
> filpdos = 'casoNi2a_pdos'
> filproj = 'casoNi2a_proj'
> /
>
> projwfc.x runs with the same number of nodes/processors than pw.x
> during the nscf job. Any hints about the source of the error
> message? Thanks in advance, regards
>
> Reinaldo Pis Diez
> Center of Inorganic Chemistry
> Department of Chemistry
> Natl Univ of La Plata, Argentina
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org <mailto:Pw_forum at pwscf.org>
> http://pwscf.org/mailman/listinfo/pw_forum
> <http://pwscf.org/mailman/listinfo/pw_forum>
>
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
More information about the users
mailing list