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]> 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] http://pwscf.org/mailman/listinfo/pw_forum
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