The ABINIT Users Mailing List ( CLOSED )

["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Hi,

There is no way to "restart" from the log file. Sorry. Yet since you are doing a relaxation you can swap your input and the last computed atom's positions and cell matrix (search them in the log). At least this will save you a few relaxation step. Moreover it is possible that abinit has written some _WFK file. In this case, you can tell abinit getwfk N (where N is the highest index of your WFK files) and it will restart form the wavefunctions of the Nth step.

The abinit.exit file in the the CWD of an abinit run will lead abinit to exit smoothly.

regards
PMA

On 11/30/06, Tonatiuh Rangel Gordillo <tonatiuh@cio.mx> wrote:

Sorry I did not understand.
I write an empty file on my working directory named "abinit.exit".

Then, what effect does it have on the following run?

Regards.
Tonatiuh



> Yes, you should create an empty file named " abinit.exit" in a working
> directory.
>
> regards,
> KR
>
>> Dear abinit users,
>>
>> Supposing I have to cancel a job before it start to write the .out file.
>>
>> Is there a way to reinitialize it?
>>
>> Regards.
>>
>>
>
>
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