Segmentation fault after activating LDOS feature

Heigo Ers heig... at gmail.com
Fri May 5 12:10:19 CEST 2017


Dear all,

I have received following error after turning on LDOS feature in my input. 
If You have any idea how to overcome this error I would be very grateful.
I have also enclosed my input for this calculation. 

Program received signal SIGSEGV: Segmentation fault - invalid memory 
reference.

Backtrace for this error:
#0  0x7F46ADF9AE08
#1  0x7F46ADF99F90
#2  0x7F46AD6CC4AF
#3  0x192F017 in __atomic_kind_types_MOD_get_atomic_kind at 
atomic_kind_types.F:166 (discriminator 1)
#4  0xDEE135 in __qs_pdos_MOD_calculate_projected_dos at qs_pdos.F:591
#5  0x7EF165 in __qs_scf_post_gpw_MOD_write_mo_dependent_results at 
qs_scf_post_gpw.F:2095
#6  0x802102 in __qs_scf_post_gpw_MOD_write_available_results at 
qs_scf_post_gpw.F:1937
#7  0x12F9D32 in __qs_scf_post_scf_MOD_qs_scf_compute_properties at 
qs_scf_post_scf.F:68
#8  0xC8C127 in __qs_scf_MOD_scf at qs_scf.F:217 (discriminator 1)
#9  0x9A7EFC in __qs_energy_MOD_qs_energies at qs_energy.F:85
#10  0x770005 in calcs_on_isolated_molecules at mscfg_methods.F:265
#11  0x428500 in __cp2k_runs_MOD_cp2k_run at cp2k_runs.F:317
#12  0x42B3DB in __cp2k_runs_MOD_run_input at cp2k_runs.F:1099
#13  0x426458 in MAIN__ at cp2k.F:281
Segmentation fault (core dumped)

Yours sincerely,

Heigo Ers
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170505/dd809de8/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: NaCl.in
Type: application/octet-stream
Size: 2840 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170505/dd809de8/attachment.obj>


More information about the CP2K-user mailing list