Dear all,
I have been stuck with a problem for over a month and a half now, and I am still unable to reach the end of it.
NDPC_1_completed/cont/cont/bond_analysis$ simulate simulation.input
_cell_length_a: 82.675664
_cell_length_b: 71.671734
_cell_length_c: 69.479348
_cell_length_alpha: 90.000000
_cell_length_beta: 90.000000
_cell_length_gamma: 90.000000
_symmetry_space_group_name_Hall: P 1 found space group: 1
_symmetry_space_group_name_H-M: P 1 found space group: 1
_symmetry_Int_Tables_number: 1
space group found from symmetry elements: 1 (nr elements: 1)
End reading cif-file
Shift all potentials
free(): invalid next size (normal)
Aborted (core dumped)
I have defined pseudo atoms for 5185 atoms and force field mixing for 5185 atoms. I have the atom site label the same as the pseudo atoms, and the force field mixing and consistency in label are maintained. Yet I am getting this error!
This is my input file. If anyone is interested in resolving the error please ping into this thread. Thank you!
I have been stuck with a problem for over a month and a half now, and I am still unable to reach the end of it.
NDPC_1_completed/cont/cont/bond_analysis$ simulate simulation.input
_cell_length_a: 82.675664
_cell_length_b: 71.671734
_cell_length_c: 69.479348
_cell_length_alpha: 90.000000
_cell_length_beta: 90.000000
_cell_length_gamma: 90.000000
_symmetry_space_group_name_Hall: P 1 found space group: 1
_symmetry_space_group_name_H-M: P 1 found space group: 1
_symmetry_Int_Tables_number: 1
space group found from symmetry elements: 1 (nr elements: 1)
End reading cif-file
Shift all potentials
free(): invalid next size (normal)
Aborted (core dumped)
I have defined pseudo atoms for 5185 atoms and force field mixing for 5185 atoms. I have the atom site label the same as the pseudo atoms, and the force field mixing and consistency in label are maintained. Yet I am getting this error!
This is my input file. If anyone is interested in resolving the error please ping into this thread. Thank you!