[CP2K-user] [CP2K:11080] Error: CPASSERT failed when printing ELF cube
hut... at chem.uzh.ch
hut... at chem.uzh.ch
Thu Jan 3 16:52:14 UTC 2019
Hi
a simple file with MD and writing ELF cube files works.
Can you simplify your example (smaller, less options, etc)
so that we can try to reproduce the error?
regards
Juerg
--------------------------------------------------------------
Juerg Hutter Phone : ++41 44 635 4491
Institut für Chemie C FAX : ++41 44 635 6838
Universität Zürich E-mail: hut... at chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland
---------------------------------------------------------------
-----cp... at googlegroups.com wrote: -----
To: cp... at googlegroups.com
From: "yujia Xu"
Sent by: cp... at googlegroups.com
Date: 12/22/2018 04:24PM
Subject: [CP2K:11080] Error: CPASSERT failed when printing ELF cube
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!
--
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+uns... at googlegroups.com.
To post to this group, send email to cp... at googlegroups.com.
Visit this group at https://groups.google.com/group/cp2k.
For more options, visit https://groups.google.com/d/optout.
[attachment "CuN.inp" removed by Jürg Hutter/at/UZH]
[attachment "CuN_out.rar" removed by Jürg Hutter/at/UZH]
More information about the CP2K-user
mailing list