I have a problem with CPASSERT failed error in pw/pw_grids.F:881

Chris K. Lee lksz... at gmail.com
Wed Jul 20 02:57:23 UTC 2016


I'm new to this program and trying to do an calculaiton with my system

I made an input but there's so many errors.

I corrected my mistakes step by step.

But I meet a problem which I can't figure it out what the problem is.

I attached my input and output.



CPASSERT failed

pw/pw_grids.F:881

 ===== Routine Calling Stack ===== 
            8 pw_grid_distribute
            7 pw_grid_setup_internal
            6 pw_grid_setup
            5 pw_env_rebuild
            4 qs_env_rebuild_pw_env
            3 qs_env_setup
            2 qs_init_subsys
            1 CP2K
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20160719/0428b29e/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: z3_ex20.inp
Type: chemical/x-gamess-input
Size: 9752 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20160719/0428b29e/attachment.inp>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: z3_ex20.out
Type: application/octet-stream
Size: 40358 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20160719/0428b29e/attachment.obj>


More information about the CP2K-user mailing list