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

yujia Xu yjxu... at gmail.com
Sat Dec 22 15:23:38 CET 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!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20181222/ec1b8b74/attachment-0001.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: CuN.inp
Type: application/octet-stream
Size: 43057 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20181222/ec1b8b74/attachment-0002.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: CuN_out.rar
Type: application/octet-stream
Size: 4471536 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20181222/ec1b8b74/attachment-0003.obj>


More information about the CP2K-user mailing list