Unable to run SHARC dynamics: No module named 'sharc.sharc'

[anugraha-cp]

Hello,

I am using SHARC 4 with ORCA 6 as the interface and I am currently in the process of running dynamics simulations. After setting up the traj/Singlet_2/TRAJ_00004 folder, I ran the following command: sh run.sh &however, when trying to execute the trajectory script, I encountered the following error:

(venv) (base) anugraha@DESKTOP-RABGN0T:sharc/sharc4/CH2NH2_orca/traj/Singlet_2/TRAJ_00004$ sh run.sh&
[2] 753183
(venv) (base) anugraha@DESKTOP-RABGN0T:~/sharc/sharc4/CH2NH2_orca/traj/Singlet_2/TRAJ_00004$ traj__0000
ERROR: sharc.sharc import failed. Do you have the correct Python environment loaded?
Traceback (most recent call last):
File "/home/anugraha/sharc/sharc4/bin/driver.py", line 37, in
import sharc.sharc as sharc
ModuleNotFoundError: No module named 'sharc.sharc'

Could you please guide me on how to resolve this error or correctly set up the environment for running trajectories with SHARC?

Thank you
Anugraha C P

[maisebastian]

Dear user,
you can find my reply to a similar question here: sharc-md/sharc4#9

Please note that you posted an issue in the repository for SHARC1-3 (https://github.com/sharc-md/sharc/) and not for SHARC4 (https://github.com/sharc-md/sharc4/).

Best,
Sebastian