Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Errors when I ran logtodata.py #1

Open
WentongZhou opened this issue Aug 24, 2022 · 0 comments
Open

Errors when I ran logtodata.py #1

WentongZhou opened this issue Aug 24, 2022 · 0 comments

Comments

@WentongZhou
Copy link

After obtaining AIMD data from QE, I ran the data-convert script logtodata.py in this tutorial, the error was as below:
File "/SC21_DP_Tutorial/AIMD/QE/out/logtodata.py", line 12, in <module>
print(d_log_shuffled.sub_system(np.arange(i*Neach, (i+1)*Neach).tolist()).get_nframes())
File "/home/wz28l/bin/psi4conda/lib/python3.9/site-packages/dpdata/system.py", line 446, in sub_system
tmp.data[tt.name] = self.data[tt.name][tuple(new_shape)]
IndexError: index 212 is out of bounds for axis 0 with size 212

@WentongZhou WentongZhou changed the title Errors when I tried to run logtodata.py Errors when I run logtodata.py Aug 24, 2022
@WentongZhou WentongZhou changed the title Errors when I run logtodata.py Errors when I ran logtodata.py Aug 24, 2022
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant