PSF file for huge systems

Pawel Wityk wityk... at
Wed Feb 18 18:56:23 UTC 2015

Dear cp2k users,

I'm starting my QM/MM calculation, I have .psf file *.pdb file for my whole 
the number of groups is larger than 9999 (due to water residues). I think 
that I have problem with this high amount of water residues, while starting 
cp2k run.
My input file is very small and designed to testing *.psf files.

Error message: 

 *** 19:38:25 ERRORL2 in                                                ***
 *** topology_connectivity_util:topology_connectivity_pack processor 0  ***
 *** err=-300 condition FAILED at line 651                              ***

 ===== Routine Calling Stack ===== 

            7 topology_connectivity_pack_11
            6 topology_connectivity_pack
            5 topology_control
            4 fist_init
            3 fist_create_force_env
            2 qmmm_create_force_env_low
            1 CP2K

Please, If anyone could help me I will be glad,
I was trying to do some changes in files but I failed and I am currently 

My input files, are attached below: 

Best regards,
Pawel Wityk
University of Gdansk

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