[CP2K-user] Error: CPASSERT failed when printing ELF cube

yujia Xu yjxu... at gmail.com
Sat Dec 22 15:23:38 UTC 2018


Dear CP2K users,
Hello!
I am running a MD type and want to print ELF cube file. I  added the
section &ELF_CUBE on the section of FOECE_EVAL, however always got that
error "  CPASSERT failed ,pw/realspace_grid_cube.F:144" .My system contains
224 atoms with copper and nitrogen, and previous calculation  worked out
very well .
Here are my input and output files. Anyone could give me some advises?
Best regards!
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