Spin-resolved TD calculation causes Segmentation fault
Hello everyone,
I'm trying to do non-collinear spin-resolved TDDFT and encountered the following error:
` %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Octopus was killed by signal 11: Segmentation fault
Note: Octopus is currently trapping signals. This might prevent the use of debuggers or the generation of core dumps. To change this behavior, use the DebugTrapSignals input option.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% *-------------------------------------------------------------------- Octopus debug trace:
main/run.F90.run > main/time_dependent.F90.time_dependent_run %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Octopus was killed by signal 11: Segmentation fault
Note: Octopus is currently trapping signals. This might prevent the use of debuggers or the generation of core dumps. To change this behavior, use the DebugTrapSignals input option.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% *-------------------------------------------------------------------- Octopus debug trace:
main/run.F90.run > main/time_dependent.F90.time_dependent_run > main/time_dependent.F90.time_dependent_run_legacy > td/td.F90.td_init_run > td/td.F90.td_init_with_wavefunctions > td/td.F90.td_run_zero_iter > td/td_write.F90.td_write_iter > td/td_write.F90.td_write_partial_charges > electrons/partial_charges.F90.partial_charges_calculate > hamiltonian/hirshfeld.F90.hirshfeld_init main/time_dependent.F90.time_dependent_run_legacy > td/td.F90.td_init_run > td/td.F90.td_init_with_wavefunctions > td/td.F90.td_run_zero_iter > td/td_write.F90.td_write_iter > td/td_write.F90.td_write_partial_charges > electrons/partial_charges.F90.partial_charges_calculate > hamiltonian/hirshfeld.F90.hirshfeld_init `
I have also attached my input file and the full output file. A (non-collinear) ground-state calculation was carried out before this step.
Thank you very much in advance!
Kind regards,
Ulrich