RESTART using REFTRAJ

[tobias.l... at gmail.com]

Hello CP2K'ler,

i do my CP2K calculations (Localization of Wannier centers) on a HPC 
Cluster with a maximum walltime of 24 hours. This is too short, so i have 
to divide the calculation. I want to continue/restart the previous CP2K run 
at the timestep and with parameters of the terminition timestep. i have 
tried it with 

&EXT_RESTART
 RESTART_FILE_NAME myproject-1.restart
&END

Desired result as example:
Run 1: timestep 1-50
Run 2: timestep 51-100

Recieved results: (files appended)
Run 1: timestep 1-50
Run 2: timestep 1-50

all results written in one Wannier-file "myproject_wannier.xyz".

I guess that the "myproject_reftraj.xyz" file is restarted each time at 
timestep 1. (compare timestep 1 of each Run)

Is there any possibility to get a restart as desired?

I have tried the same with FIRST_SNAPSHOT in section MOTION/MD/REFTRAJ too,
or tried to handle it with RESTART_COUNTERS in section EXT_RESTART,
but everytime i recieved the same output in the wannier-file. (files 
appended)

All my Input-files are appended!

Hope to get help.

Regards,
Tobias Lechner



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