[Pw_forum] pw.x error in opening input file

Vishal Gupta vishal.gupta at iitrpr.ac.in
Tue Jun 9 08:52:33 CEST 2015


Hi,
I've been running an input file on my single processor system successfully
but when I try running it from QE installed on High Performance Cluster in
my institute,
it gives the following error :-
 *Error in routine read_input (2):*
*     opening input file*
The complete output is :-

*   Parallel version (MPI), running on    50 processors*
*     R & G space division:  proc/nbgrp/npool/nimage =      50*
*Open_input_file: error opening way.in <http://way.in>*


*     Error in routine read_input (2):*
*     opening input file*

*     stopping ...*

Input file :-
 *&CONTROL*
*                 calculation = 'scf' ,*
*                  pseudo_dir = '/home/rocke/Desktop/pps/' ,*
* /*
* &SYSTEM*
*                       ibrav = 2,*
*                   celldm(1) = 3.52,*
*                         nat = 1,*
*                        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 *

Thank You.
Vishal Gupta
B.Tech. 2nd year Mechanical
IIT Ropar
Email :- vishal.gupta at iitrpr.ac.in
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