[CP2K:1675] Re: wall clock limit

[Ondrej Marsalek]

before, i only tried using:

CP2K_INPUT/MOTION/PRINT/RESTART/ADD_LAST NUMERIC

after adding

CP2K_INPUT/MOTION/MD/PRINT/FORCE_LAST

based on your suggestion, it works as expected.

thank you,
ondrej


On Sat, Dec 20, 2008 at 19:44, Laino Teodoro <teodor... at gmail.com> wrote:
>
> This should be what you are looking for:
>
> http://cp2k.berlios.de/manual/CP2K_INPUT/MOTION/MD/
> PRINT.html#desc_FORCE_LAST
>
> Read carefully the above link.. you still need to set the LAST in the
> proper print_key..
>
> Teo
>
> On 20 Dec 2008, at 19:36, Ondrej Marsalek wrote:
>
>>
>> hi,
>>
>> i have a question about the wall clock limit setting in cp2k. is it
>> possible to also request a restart file so that the calculation can be
>> later restarted automatically?
>>
>> if i only enable the wall clock limit, i usually get output in several
>> files (positions and velocities, for example) more recent than the
>> most
>> recent restart file. therefore, an automatic restart (resubmission of
>> the same job, for example) will create duplicate entries in those
>> files,
>> which is something i would like to avoid, if possible.
>>
>> regards,
>> ondrej
>>
>> >
>
>
> >
>