[CP2K-user] [CP2K:15328] EXT_RESTART command not working

[sumit agrawal]

Hii,

PFA

On Tue, May 11, 2021 at 12:09 PM Tiziano Müller <tiziano... at chem.uzh.ch>
wrote:

> Hi Sumit,
>
> please also submit the error message you got.
> I haven't checked your input, but it may be another variant of:
>
>
> Best,
> Tiziano
>
> On 5/11/21 6:17 AM, sumit agrawal wrote:
> > Hello everyone,
> >
> > I am trying to do vibrational analysis for bulk phase system. Initially
> > i have done massive equilibration of my system for 2000 steps. After
> > that i want to do global equilibration for 5000 steps. For second one i
> > want to use PropOx-1.restart file from the the first calculation. For
> > this i have given additional command in second file as follows:
> >
> >    &EXT_RESTART
> >    EXTERNAL_FILE PropOx-1.restart  #  Needs to match project name above
> >    RESTART_THERMOSTAT .FALSE.
> > &END
> >
> > If i use this command calculation is not started.
> >
> >
> > Here i am attaching the input file and PropOx-1.restart for this run.
> >
> > Please help me on this.
> >
> > Thanks
> >
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> > <
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>
> --
> Tiziano Müller
> University of Zurich
> Department of Chemistry
> Winterthurerstrasse 190
> CH-8057 Zürich
>
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> www.chem.uzh.ch
> tiziano... at chem.uzh.ch
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