QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Jenny on June 17, 2013, 18:00

Title: restart stopped calculation error
Post by: Jenny on June 17, 2013, 18:00

Hi, everyone.

Recently, I tried to use restarting stopped calculation as the website shows.
http://quantumwise.com/publications/tutorials/mini-tutorials/142-restarting-stopped-calculations

But when I run the script, the error comes as following

Traceback (most recent call last):
  File "c:\users\mems\appdata\local\temp\1460355686016143.py", line 845, in <module>
    device_configuration.update(force_restart=True)
AttributeError: 'list' object has no attribute 'update'

Does anyone know what the problem is?

Thank you all!

Jenny

Title: Re: restart stopped calculation error
Post by: Anders Blom on June 17, 2013, 23:44

Somewhere you are doing

device_configuration = nlread("file.nc")

It should be

device_configuration = nlread("file.nc")[-1]

provided that there is only one configuration in the file.

Title: Re: restart stopped calculation error
Post by: Jenny on June 19, 2013, 20:42

Quote from: Anders Blom on June 17, 2013, 23:44

Somewhere you are doing

device_configuration = nlread("file.nc")

It should be

device_configuration = nlread("file.nc")[-1]

provided that there is only one configuration in the file.

Thank you for your reply. It seems that even I successfully restart the calculation, the calculation starts from the initial.

Anyway, thank you all the same.