Hi, All
I encountered the error below when performing calcualtions using pp.x. Any idea
to resolve this issue?
Program POST-PROC v.5.1rc1 starts on 5Jul2018 at 15:54:39
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org";,
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 1 processors
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine postproc (17):
reading inputpp namelist
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 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.
Best
Jibiao Li
Yangtze Normal University, China
&inputpp
prefix = 'ads' ,
outdir = './' ,
filplot = 'deep_sy_vert' ,
plot_num = 7,
kpoint(1) = 14,
kband(1) = 4,
lsign = .true. ,
/
&PLOT
nfile = 1 ,
filepp(1) = 'deep_sy_vert',
weight(1) = 1.0,
fileout = 'deep_sy_vert.xsf' ,
iflag = 2 ,
output_format = 3 ,
e1(1) = 1.732,
e1(2) = 0,
e1(3) = 0,
e2(1) = 0,
e2(2) = 0,
e2(3) = 1.732,
x0(1) = 0,
x0(2) = 0,
x0(3) = 0.95,
nx = 90 ,
ny = 90 ,
/_______________________________________________
users mailing list
[email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
