[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:
&inputpp
prefix = '$PREFIX',
outdir = '/mnt/lustre/users/WORK_DIR',
filplot = '$PREFIX.rho3dgnu',
plot_num = 0,
/
&plot
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
Pacome
*___**_____________*
Pacome NGUIMEYA
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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