[CP2K-user] [CP2K:15327] EXT_RESTART command not working

[Tiziano Müller]

Hi Sumit,

please also submit the error message you got.
I haven't checked your input, but it may be a similar issue to what is 
reported here: https://github.com/cp2k/cp2k/issues/1498

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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-- 
Tiziano Müller
University of Zurich
Department of Chemistry
Winterthurerstrasse 190
CH-8057 Zürich

Tel: +41 44 63 54234
www.chem.uzh.ch
tiziano... at chem.uzh.ch