[QE-users] Incompatible iflag/output_format when running pp.x calculation using QE v6.1.0

Pacome NGUIMEYA pacome.nguimeya at gmail.com
Sat Nov 3 17:10:17 CET 2018

Hi QE users,
I am getting the following error message when running the pp.x calculation
with *iflag=3* and *output_format=7*:

     Error in routine chdens (1):
     incompatible iflag/output_format
     stopping ...
MPI_ABORT was invoked on rank 8 in communicator MPI_COMM_WORLD
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.

I have been searching on internet a way to work around this but have not
found any yet.

Could you please help me in sorting this out

I am using *Quantum Espresso 6.1.0*

My pp.x is the following:
          prefix = '$PREFIX',
          outdir = '/mnt/lustre/users/WORK_DIR',
         filplot = '$PREFIX.rho3dgnu',
        plot_num = 0,
             nfile = 1,
         filepp(1) = '$PREFIX.rho3dgnu',
         weight(1) = 1.0,
             iflag = 3,
     output_format = 7,
           fileout = '$PREFIX.rho3dgnu.dat',
              e1(1)=1.0, e1(2)=0.0, e1(3)=0.0,
              e2(1)=0.0, e2(2)=1.0, e2(3)=0.0,
              e3(1)=0.0, e3(2)=0.0, e3(3)=1.0,
              x0(1)=0.0, x0(2)=0.0, x0(3)=0.0
Thank you
Ph.D. Candidate
Computational Condensed Matter Physics
University of Cape Town (UCT), South Africa
*“Be Yourself; everyone else is already taken.” Oscar Wilde*
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