Segmentation fault (core dumped) occured at qstem.build_potential()

[Takumi-Watanabe-19WD]

Dear PyQSTEM developers,

I'm trying pyqstem on Ubuntu 20.04.1 LTS (Focal Fossa) and python3.8.2. I faced segmentation fault in this condition at the line of qstem.build_potential, although it went well on windows.

Code is shown as below; from future import print_function import numpy as np import matplotlib.pyplot as plt from pyqstem import PyQSTEM from pyqstem.util import atoms_plot import ase from ase.build import nanotube from pyqstem.imaging import CTF

atoms = nanotube(13,7,length=2, verbose=True) atoms.wrap()

Figure

atoms.center(vacuum=2,axis=2) fig,(ax1,ax2)=plt.subplots(1,2,figsize=(8,4)) atoms_plot(atoms,direction=2,ax=ax1) atoms_plot(atoms,direction=1,ax=ax2)

qstem = PyQSTEM('TEM') qstem.set_atoms(atoms) v0=80

qstem.build_wave('plane',v0,(100,100)) wave=qstem.get_wave()

wave.view()

plt.show()

qstem.build_potential(5) #segmentation fault (core dumped)

potential = qstem.get_potential_or_transfunc()

potential.view(method='real') plt.show() qstem.run()

wave = qstem.get_wave() ctf = CTF(defocus=-60, Cs = 0.005, focal_spread = 30) image_wave=wave.apply_ctf(ctf)

image_wave.view() plt.show()

Thanks and regards.

[Takumi-Watanabe-19WD]

I tried this command $ ulimit -c unlimited

but, core file haven't been produced.

[Takumi-Watanabe-19WD]

somehow, during modifying ase source code, this problem was solved.