[QE-users] Error when using "restart_mode = 'restart' "

[Paolo Giannozzi]

Restarting from a previous calculation is possible only if the run is 
cleanly stopped (e.g. by specifying a maximum cpu time, or number of 
iterations , or by creating an "EXIT" file). If a run just crashes, a 
restart is highly unlikely to succeed.

Paolo

On 19/01/2025 08:42, jkmodi22 at iitk.ac.in wrote:
> Hello QE experts
> 
> I was doing bandstructure calculation using HSE. My calculation stopped
> due to time limit. Then, I tried to resart the calculation using
> restart_mode='restart' in control namelist.
> 
> I got the following error :
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>       Error in routine aceinit0 (1):
>       file with ACE potential not found or not readable
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 
> How to use the keyword restart_mode? Why did this error occur?
> 
> Thanks in advance.
> 
> Best regards
> 
> Jainandan Modi
> Ph.D. Scholar
> Electrical Department
> IIT Kanpur
> 
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216