ASE Error: "Atoms object has no calculator."

Dear Developer, thanks for your contribution. I want to search for the transition state of the diffusion of an oxygen atom in the Perovskite oxide with ABACUS + ATST-Tools. I have optimized the structures of the initial and final state using ABACUS. Then I use pymatgen-analysis-diffusion package to build an init_neb_chain.traj (Which can automatically match the atoms between initial and final states, and handle the PBC). After submitting the task, I encountered an error: raise RuntimeError('Atoms object has no calculator.'). Here is my calculation setting: n_iamges = 8 node = 4 ntasks-per-node=2 cpus-per-task=32 The input file and log file are in the attachment. Thank you! [input_log.zip](https://github.com/QuantumMisaka/ATST-Tools/files/14786340/input_log.zip)