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" > <[email protected] <mailto:[email protected]>> > 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 > [email protected] <mailto:[email protected]> > http://pwscf.org/mailman/listinfo/pw_forum > <http://pwscf.org/mailman/listinfo/pw_forum> > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
