[Pw_forum] pw.x error reading namelist ions

Vishal Gupta vishal.gupta at iitrpr.ac.in
Tue Jun 9 18:41:51 CEST 2015


Hi,
I am trying to run an input file from QE on High Performance Cluster but it
gives the following error :-
*Error in routine  read_namelists (1):*
*reading namelist ions*

Input :-
&CONTROL
                 calculation = 'relax' ,
                  pseudo_dir = '/home/vishalgupta/GB' ,
                      prefix = 'Ni_exc1' ,
 /
 &SYSTEM
                       ibrav = 2,
                   celldm(1) = 3.52,
                         nat = 47,
                        ntyp = 1,
                     ecutwfc = 20 ,
 /
 &ELECTRONS
                 mixing_beta = 0.7 ,
             diagonalization = 'cg' ,
 /
ATOMIC_SPECIES
   Ni   58.69340  Ni.pz-hgh.UPF
ATOMIC_POSITIONS alat
   Ni     14.934095219    4.978031740   10.000000000
...
K_POINTS automatic
  6 6 6   0 0 0

Output :-
MPI_ABORT was invoked on rank 1 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.
Parallel version (MPI), running on    20 processors
 R & G space division:  proc/nbgrp/npool/nimage =      20
 Reading input from a.in
Error in routine  read_namelists (1):
      reading namelist ions

THANK YOU
Vishal Gupta
B.Tech. 2nd year Mechanical
Indian Institute of Technology Ropar
Rupnagar (140001), Punjab, India.
Email :- vishal.gupta at iitrpr.ac.in
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