fix: hard-coded model name in gromacs model devi calculation (#1544)

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## Summary by CodeRabbit

- **Refactor**
- Improved efficiency in model name processing within the model
deviation functionality.

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Co-authored-by: Han Wang <[email protected]>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

Author: 3 people

dpgen/generator/run.py

@@ -2002,7 +2002,9 @@ def run_md_model_devi(iter_index, jdata, mdata):
             command += f'&& echo -e "{grp_name}\\n{grp_name}\\n" | {model_devi_exec} trjconv -s {ref_filename} -f {deffnm}.trr -o {traj_filename} -pbc mol -ur compact -center'
         command += "&& if [ ! -d traj ]; then \n mkdir traj; fi\n"
         command += f"python -c \"import dpdata;system = dpdata.System('{traj_filename}', fmt='gromacs/gro'); [system.to_gromacs_gro('traj/%d.gromacstrj' % (i * {trj_freq}), frame_idx=i) for i in range(system.get_nframes())]; system.to_deepmd_npy('traj_deepmd')\""
-        command += f"&& dp model-devi -m ../graph.000.pb ../graph.001.pb ../graph.002.pb ../graph.003.pb -s traj_deepmd -o model_devi.out -f {trj_freq}"
+        _rel_model_names = " ".join([str(os.path.join("..", ii)) for ii in model_names])
+        command += f"&& dp model-devi -m {_rel_model_names} -s traj_deepmd -o model_devi.out -f {trj_freq}"
+        del _rel_model_names
         commands = [command]
 
         forward_files = [