[CP2K-user] Restart error: An invalid set of cell vectors was specified.

[Jerry Tanoury]

Dear Forum,

I am getting the following error message (below) when attempting to restart 
my NVE MD calculation.  The initial job (40K timepoints, 0.5 fs steps) ran 
to completion, but my system was not fully equilibrated.  I attempted to 
extend the equilibration with another 20K points via a restart, but got the 
error below.  I have attached my input and output files for the restart 
job.  Is there something I’m missing?

*******************************************************************************

 *   ___  
                                                                     *

 *  /   
\                                                                      *

 * 
[ABORT]                                                                     
*

 *  \___/      An invalid set of cell vectors was specified. The 
determinant   *

 *    |                             det(h) is too 
small                        *

 *  
O/|                                                                        *

 * /| 
|                                                                        *

 * / \                                                 
subsys/cell_types.F:355 *

 *******************************************************************************

Thank you,

Jerry
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