[CP2K-user] [CP2K:21893] RI-RPA

[Diganta Dasgupta]

Greetings,

I have been to run single point calculations on a system of 128 waters on 
cp2k using RPA using the cc-TZ and RI-TZ primary and auxilliary basis sets 
respectively with a GTH-PBE pseudopotential. However after some period of 
running the calculations crash with a messege saying : CPASSERT failed 
- mp2_ri_2c.F:1441. The attached folder contains all the files from a run. 
I have tried changing MGRID cutoff, the EPS and MEMORY settings but to no 
avail. I'm new to this and may be making some obvious mistakes. Any 
guidance in this regard is greatly appreciated.

Best regards,
Diganta

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