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, [email protected] 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
_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians
worldwide who are victims of terrorism, military aggression, and indiscriminate
warfare.
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians
worldwide who are victims of terrorism, military aggression, and indiscriminate
warfare.
--------------------------------------------------------------------------------
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
