[CP2K-user] [CP2K:12200] CPASSERT failed

[kazimieras tamoliunas]

Input file specified atomic coordinates and topology section, which was
absent in my input file. That was a thing that caused the error. Sorry for
interrupting.
Regards,
 Kazimieras


On Wed, Sep 11, 2019 at 11:15 AM kazimieras tamoliunas <
k.tam... at gmail.com> wrote:

> Hello,
>   i'm trying to restart geometry optimisation after maximum number of
> optimisation steps was reached, without reaching threshold values. I'm
> trying to restart a calculation from *-1.restart.bak-3 input file, but i
> run into this CPASSERT problem:
>
>
>  *******************************************************************************
>
>  *   ___
>     *
>
>  *  /   \
>     *
>
>  * [ABORT]
>     *
>
>  *  \___/                             CPASSERT failed
>     *
>
>  *    |
>     *
>
>  *  O/|
>     *
>
>  * /| |
>     *
>
>  * / \
> atoms_input.F:121 *
>
>
>  *******************************************************************************
>
>
>
>  ===== Routine Calling Stack =====
>
>
>             5 read_atoms_input
>
>             4 coordinate_control_READ_COORDINATE
>
>             3 coordinate_control
>
>             2 topology_control
>
>             1 CP2K
>
>
>  I'm asking because there is no apparent reason for this behaviour. If i
> start the calculation from my own input file, everything goes well. Maybe
> someone has a clue of why is this happening?
>
>
> Regards,
>
>  Kazimieras Tamoliūnas
>
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