[CP2K-user] stopping run without any error alert

Tahere Kheshti tahere... at gmail.com
Sat Jun 12 18:35:06 UTC 2021

 Dear cp2k users

I am a new user for cp2k and trying to run DFT  calculations on perovskite
I have started from the single crystal x-ray structure include H, C, N, Cl,
Br, F, and In atoms. There are 114 atoms in my unit cell!
I want to optimize this structure using the* PBE XC functional* by *cell
opt run type*. The DZVP-MOLOPT basis sets were used to describe
non-metallic atoms and TZVP-SR-MOLOPT for In.
After 10 days, *my running was stopped without any error alert! *I don't
know what the problem is?*!*
*It should be mentioned that the memory of my computer cluster is 16 GB
with 8 cores! I am running cp2k v.6.1. in parallel 16 cores!*

*C*ould you please help me to fix it!
IThe input and output files were attached.
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