[Pw_forum] Format problem in projwfc.x?

[Paolo Giannozzi]

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>
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
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