Hello, I have just installed ASE using WSL on windows 11 with Python 3.9.23. I have tried to work through the tutorials but I keep getting errors that say I don’t have permission.
When I try to run the .py file for the Nitrogen on Copper tutorial Introduction: Nitrogen on copper — ASE documentation
I get this error message
Traceback (most recent call last):
File “/home/dylan/ASE_tut/N2Cu.py”, line 22, in
dyn = QuasiNewton(slab, trajectory=‘N2Cu.traj’)
File “/home/dylan/miniforge3/envs/ace/lib/python3.9/site-packages/ase/optimize/bfgslinesearch.py”, line 95, in init
Optimizer.init(self, atoms, restart, logfile, trajectory, **kwargs)
File “/home/dylan/miniforge3/envs/ace/lib/python3.9/site-packages/ase/optimize/optimize.py”, line 347, in init
super().init(
File “/home/dylan/miniforge3/envs/ace/lib/python3.9/site-packages/ase/optimize/optimize.py”, line 130, in init
trajectory = self.closelater(Trajectory(
File “/home/dylan/miniforge3/envs/ace/lib/python3.9/site-packages/ase/io/trajectory.py”, line 58, in Trajectory
return TrajectoryWriter(filename, mode, atoms, properties, master=master,
File “/home/dylan/miniforge3/envs/ace/lib/python3.9/site-packages/ase/io/trajectory.py”, line 111, in init
self._open(filename, mode)
File “/home/dylan/miniforge3/envs/ace/lib/python3.9/site-packages/ase/io/trajectory.py”, line 127, in _open
self.backend = ulm.open(filename, mode, tag=‘ASE-Trajectory’)
File “/home/dylan/miniforge3/envs/ace/lib/python3.9/site-packages/ase/io/ulm.py”, line 161, in open
return Writer(filename, mode, tag or ‘’)
File “/home/dylan/miniforge3/envs/ace/lib/python3.9/site-packages/ase/io/ulm.py”, line 248, in init
fd = fd.open(‘wb’)
File “/home/dylan/miniforge3/envs/ace/lib/python3.9/pathlib.py”, line 1180, in open
return io.open(self, mode, buffering, encoding, errors, newline,
File “/home/dylan/miniforge3/envs/ace/lib/python3.9/pathlib.py”, line 1038, in _opener
return self._accessor.open(self, flags, mode)
PermissionError: [Errno 13] Permission denied: ‘N2Cu.traj’
In another tutorial Atomization energy — ASE documentation, when I try to run this script
from ase import Atoms
atoms = Atoms(‘N2’, positions=[[0,0,-1], [0,0,1]])
from ase.visualize import view
view(atoms)
from ase.io import write
write(‘myatoms.traj’, atoms)
I get this error with the same error code
Traceback (most recent call last):
File “/home/dylan/ASE_tut/DFT.py”, line 6, in
write(‘myatoms.traj’, atoms)
File “/home/dylan/miniforge3/envs/ace/lib/python3.9/site-packages/ase/io/formats.py”, line 707, in write
return _write(filename, fd, format, io, images,
File “/home/dylan/miniforge3/envs/ace/lib/python3.9/site-packages/ase/parallel.py”, line 274, in new_func
return func(*args, **kwargs)
File “/home/dylan/miniforge3/envs/ace/lib/python3.9/site-packages/ase/io/formats.py”, line 740, in _write
fd = open_with_compression(filename, mode)
File “/home/dylan/miniforge3/envs/ace/lib/python3.9/site-packages/ase/io/formats.py”, line 612, in open_with_compression
return open(filename, mode)
PermissionError: [Errno 13] Permission denied: ‘myatoms.traj’
I’m completely new to using WSL so the issue may be something to do with how I’ve set up everything