Segmentation fault after activating LDOS feature
Heigo Ers
heig... at gmail.com
Fri May 5 10:10:19 UTC 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
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