[Pw_forum] error in restarting pw.x

Federico Iori federico.iori at u-psud.fr
Sat Apr 30 13:25:34 CEST 2016


Hi all. 
I did a 'scf' run with pw.x (QE_5.4.0) and now I tryed to restart it to relax the coordinates ('relax' run). 

I am using 

restart_mode='restart' 
wf_collect=.true. (since I changed the number of proc from one run to the other) 

and do not specified startingpot and startingwfc 

I obtained always an error: 

"Error in routine read_wavefunctions" (1) 
wavefunctions unit (iunwfc) is not opened 

Now I tried specifing starginwfc='atomic+random' (that is the default) 
and the code is running.. 
I do not change neither the k-points neither the cutoff values... 

Myabe is something known, but someone has an idea why is this happening? 

Thanks 
Federico 


	
Federico IORI 
Marie Curie Fellow 
Laboratoire de Physique des Solides 
Bâtiment 510 - Rue André Rivière 
91400 Orsay 


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