[CP2K-user] [CP2K:21133] Issue Running REFTRAJ with Variable Volume for NaCl System

[Anmol]

Dear CP2K Developers and Users,

I am encountering an issue while running a *REFTRAJ-based molecular 
dynamics (MD) simulation* for an *NaCl system with variable volume* in CP2K 
2022.1 . The simulation aborts with the following error message:
******************************************************************************* 
* ___ * * / \ * * [ABORT] * * \___/ CPASSERT failed * * | * * O/| * * /| | 
* * / \ motion/integrator.F:1620 * 
******************************************************************************* 
===== Routine Calling Stack ===== 3 velocity_verlet 2 qs_mol_dyn_low 1 CP2K

I have ensured that the volume.cell file is correctly formatted.

Below are the input files

I would appreciate any insights on whether there are known constraints on 
the trajectory file format for REFTRAJ with variable volume, or if there 
are additional debugging steps I can take to verify that the trajectory is 
being read correctly. Has anyone encountered a similar issue, and if so, 
what was the resolution? Any guidance would be highly valuable.

Regards 
Anmol


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