I am trying to study the diffusion on some alkali metals in a cell with 64 atoms performing akmc calculations. The job runs and find the saddle point but then it stops with this message:
No more saddle processes are needed. However, the dynmat job for the system has been killed. Deadlock!
Could you please tell me what causes this error ?
Kind regards,
Hossein
the dynmat job for the system has been killed
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mirhosseini
- Posts: 4
- Joined: Sat Apr 01, 2017 6:27 pm
Re: the dynmat job for the system has been killed
I would like to see the calculation; please tar.gz and post or make it available. Thanks!
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mirhosseini
- Posts: 4
- Joined: Sat Apr 01, 2017 6:27 pm
Re: the dynmat job for the system has been killed
Dear Graeme,
I am sending you the files. Thanks in advance for your help. As you see after st003 the code stops.
I am sending you the files. Thanks in advance for your help. As you see after st003 the code stops.