MP2 CPASSERT failed

katarína stančiaková stanc... at gmail.com
Sun Oct 29 11:50:45 UTC 2017


Dear CP2K users,
I am trying to run MP2 calculations. My ultimate goal is to run geometry 
optimization (therefore I chose RI implemetation), however so far I was not 
able to get even calculated energy of my system. At first I run scf 
optimization with HF and then I wanted to use that wavefunction as the 
input for MP2. It seems that at the beginning it works fine, but then the 
job crashes and I dont understand what the error message means. I would 
appreciate any help with that.
Input/output files are attached. Thank you!

Katarina
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