[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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