[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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