<div dir="ltr">Hi, what's about splitting the trajectory file in two parts (1-50 and 51-100) and performing two independent REFTRAJ runs? I think there is no need to restart any MD run properly, because you are just traversing a set of configuration calculating certain properties. Regards, Matthias On Tuesday, 20 January 2015 11:17:53 UTC+1, tobia...@gmail.com wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">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 </div></blockquote></div>