[CP2K:8473] cp2k/4.1 elf_cube CPASSERT failed

[hut... at chem.uzh.ch]

Hi

works for me (using some arbitrary input file). Have you tried
with another base input file?
Without additional information we cannot help you.

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: cp2k <cp... at googlegroups.com>
From: Alex Vozny 
Sent by: cp... at googlegroups.com
Date: 12/10/2016 07:37PM
Subject: [CP2K:8473] cp2k/4.1 elf_cube  CPASSERT failed

Hi all,
I've added to a well-working input      &ELF_CUBE  STRIDE 6  &EACH     GEO_OPT 5  &END EACH
 &END ELF_CUBE
and get an error:
               ----- ELF is computed on the real space grid -----

 ELF is written in cube file format to the file:
 ELF_S1
 ******************************************************************************* *   ___                                                                       * *  /                                                                          * *[ABORT]                                                                      * * ___/                               CPASSERT failed                          * *  |                                                                          * *O/|     /                                                                    * *| |     /                                                                    * *       **                                       pw/realspace_grid_cube.F:142 * *******************************************************************************

 ===== Routine Calling Stack ===== 
           10 pw_to_cube            9 qs_scf_post_elf            8 scf_post_calculation_gpw            7 qs_energies            6 qs_forces            5 cp_eval_at            4 cp_cg_main            3 geoopt_cg            2 cp_geo_opt            1 CP2K



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