The ABINIT Users Mailing List ( CLOSED )

[Tonatiuh Rangel Gordillo <tonatiuh@cio.mx>]

Thanks a lot.
I will look in the log file.

Best wishes
Tonatiuh
> 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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>>
>>
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>>
>
>
> --
> Pierre-Matthieu Anglade
>
> --
> Este mensaje ha sido analizado por MailScanner
> en busca de virus y otros contenidos peligrosos,
> y se considera que está limpio.
> MailScanner agradece a transtec Computers por su apoyo.
>
>


-- 
Este mensaje ha sido analizado por MailScanner
en busca de virus y otros contenidos peligrosos,
y se considera que está limpio.
For all your IT requirements visit: http://www.transtec.co.uk