[BUG] UnboundLocalError: cannot access local variable 'stepbindex' where it is not associated with a value

[PenguinW1105]

Bug summary

When I used dpgen init_reaction to build my dataset in WSL2(Ubuntu 20.04), I met with the error "Unbound Local Error: cannot access local variable 'stepbindex' where it is not associated with a value". At first, in order to learn how to solve this problem, I used the same file and runed it on the Windows, but the problem did not appear. The specific message was shown in the part of "Steps to Reproduce"

DP-GEN Version

0.12.0

Platform, Python Version, Remote Platform, etc

WSL2(Ubuntu 20.04), python 3.11.4

Input Files, Running Commands, Error Log, etc.

Input files has been uploaded [param.json] [machine.json]
machine.json
param.json

Running Commands: dpgen init_reaction param.json machine.json

Error Log:
Traceback (most recent call last):
File "/home/penguinw/anaconda3/bin/datasetbuilder", line 8, in
sys.exit(_commandline())
^^^^^^^^^^^^^^
File "/home/penguinw/anaconda3/lib/python3.11/site-packages/mddatasetbuilder/datasetbuilder.py", line 711, in _commandline
DatasetBuilder(
File "/home/penguinw/anaconda3/lib/python3.11/site-packages/mddatasetbuilder/datasetbuilder.py", line 109, in init
self.crddetector = Detect.gettype("dump")(
^^^^^^^^^^^^^^^^^^^^^^^
File "/home/penguinw/anaconda3/lib/python3.11/site-packages/mddatasetbuilder/detect.py", line 23, in init
self.steplinenum = self._readN()
^^^^^^^^^^^^^
File "/home/penguinw/anaconda3/lib/python3.11/site-packages/mddatasetbuilder/detect.py", line 168, in _readN
steplinenum = stepbindex - stepaindex
^^^^^^^^^^
UnboundLocalError: cannot access local variable 'stepbindex' where it is not associated with a value

Steps to Reproduce

Firstly, I used the command "dpgen init_reaction param.json machine.json" and then the error appeared.
Secondly, I used another simple file to run lammps and produce the lammpstrj and bond file. And then I used the files to run the command " datasetbuilder -d pyrolysis.lammpstrj -b pyrolysis.bonds.out -a C H N O S -np 4 -c 6 -s 5000 -n pyrolysis" on the Windows Platform by anaconda prompt, and it did not appear any error.
Thirdly, I used the file which was the same one used in the second path to run the command "dpgen init_reaction param.json machine.json", but the error still appeared.

Further Information, Files, and Links

No response

[njzjz]

Please check two things and may post here:

(1) the final command you ran, which should be in *.sub.run file in the remote root;
(2) the lammps dump file in the remote root is not broken.

[PenguinW1105]

Please check two things and may post here:

(1) the final command you ran, which should be in *.sub.run file in the remote root; (2) the lammps dump file in the remote root is not broken.

Thank you very much for your answer, but the error still appeared. In fact, I used a local computer to run the dpgen. But if there was not "remote_root" in the machine json, it would generate a new error whose log was shown below:
Traceback (most recent call last):
File "/home/penguinw/anaconda3/bin/dpgen", line 10, in
sys.exit(main())
^^^^^^
File "/home/penguinw/anaconda3/lib/python3.11/site-packages/dpgen/main.py", line 255, in main
args.func(args)
File "/home/penguinw/anaconda3/lib/python3.11/site-packages/dpgen/data/reaction.py", line 237, in gen_init_reaction
run_build_dataset(jdata, mdata)
File "/home/penguinw/anaconda3/lib/python3.11/site-packages/dpgen/data/reaction.py", line 137, in run_build_dataset
make_submission_compat(
File "/home/penguinw/anaconda3/lib/python3.11/site-packages/dpgen/dispatcher/Dispatcher.py", line 145, in make_submission_compat
submission = make_submission(
^^^^^^^^^^^^^^^^
File "/home/penguinw/anaconda3/lib/python3.11/site-packages/dpgen/dispatcher/Dispatcher.py", line 30, in make_submission
machine = Machine.load_from_dict(abs_mdata_machine)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/penguinw/anaconda3/lib/python3.11/site-packages/dpdispatcher/machine.py", line 150, in load_from_dict
context = BaseContext.load_from_dict(machine_dict)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/penguinw/anaconda3/lib/python3.11/site-packages/dpdispatcher/base_context.py", line 45, in load_from_dict
context = context_class.load_from_dict(context_dict)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/penguinw/anaconda3/lib/python3.11/site-packages/dpdispatcher/contexts/local_context.py", line 67, in load_from_dict
remote_root = context_dict["remote_root"]
~~~~~~~~~~~~^^^^^^^^^^^^^^^
KeyError: 'remote_root'

[PenguinW1105]

Please check two things and may post here:

(1) the final command you ran, which should be in *.sub.run file in the remote root; (2) the lammps dump file in the remote root is not broken.

I seem to know what generates this problem. The lammpstrj in the 01.build/task.000 seem to be broken, and the specific message of the sub.run file was here:
cd $REMOTE_ROOT
cd task.000
test $? -ne 0 && exit 1
if [ ! -f 9307c5b04012a935431bbe1f56d6e3dd6d103dc0_task_tag_finished ] ;then
( datasetbuilder -n dpgen_init -a C H O N S -d lammpstrj -c 6.0 -s 5000 -k "force m062x/6-31g** Geom=PrintInputOrient" --nprocjob 1 --nproc 1 ) 1>>build_log 2>>build_log
if test $? -eq 0; then touch 9307c5b04012a935431bbe1f56d6e3dd6d103dc0_task_tag_finished; else echo 1 > $REMOTE_ROOT/ab1afb0fe00ed3fd28f23039df670e0ad1d79aa2_flag_if_job_task_fail;tail -v -c 1000 $REMOTE_ROOT/task.000/build_log > $REMOTE_ROOT/ab1afb0fe00ed3fd28f23039df670e0ad1d79aa2_last_err_file;fi
fi &
wait