[BUG] cannot find upload file due to the conflict between pr#1127 and dpdispatcher

[scott-5]

Summary

If the number of elements of the structure in sys_configs is less than type_map ( for example, exploring the single component A in the alloy ABC ), it will report pp file of B and C cannot be uploaded. It seems that this pr #1127 makes dpgen only copy the pp and orb of the elements required by the structure in sys_configs, but the dpdispatcher is uploaded following all the elements in param.json.

DPGEN Version and software of FP

The version of DPGEN is 0.11.1 which is combined with ABACUS.

Expected Behavior

Traceback (most recent call last):
  File "/home/user/anaconda3/envs/dpgen/bin/dpgen", line 10, in <module>
    sys.exit(main())
             ^^^^^^
  File "/home/user/anaconda3/envs/dpgen/lib/python3.11/site-packages/dpgen/main.py", line 233, in main
    args.func(args)
  File "/home/user/anaconda3/envs/dpgen/lib/python3.11/site-packages/dpgen/generator/run.py", line 5109, in gen_run
    run_iter(args.PARAM, args.MACHINE)
  File "/home/user/anaconda3/envs/dpgen/lib/python3.11/site-packages/dpgen/generator/run.py", line 4461, in run_iter
    run_fp(ii, jdata, mdata)
  File "/home/user/anaconda3/envs/dpgen/lib/python3.11/site-packages/dpgen/generator/run.py", line 3765, in run_fp
    run_fp_inner(
  File "/home/user/anaconda3/envs/dpgen/lib/python3.11/site-packages/dpgen/generator/run.py", line 3702, in run_fp_inner
    submission.run_submission()
  File "/home/user/anaconda3/envs/dpgen/lib/python3.11/site-packages/dpdispatcher/submission.py", line 219, in run_submission
    self.upload_jobs()
  File "/home/user/anaconda3/envs/dpgen/lib/python3.11/site-packages/dpdispatcher/submission.py", line 421, in upload_jobs
    self.machine.context.upload(self)
  File "/home/user/anaconda3/envs/dpgen/lib/python3.11/site-packages/dpdispatcher/ssh_context.py", line 570, in upload
    self._walk_directory(
  File "/home/user/anaconda3/envs/dpgen/lib/python3.11/site-packages/dpdispatcher/ssh_context.py", line 543, in _walk_directory
    raise RuntimeError(f"cannot find upload file {work_path} {jj}")
RuntimeError: cannot find upload file /home/user/colombo-ABACUS/run/iter.000001/02.fp/task.000.000000 Zn_ONCV_PBE-1.0.upf

Steps to Reproduce

This bug is easy to reproduce by the example with little modifications for adding an additional element such as Zn.

[pxlxingliang]

Hi @scott-5, this is really strange. PR #1127 is originally used to support the scenes you mentioned. In my server, I cannot reproduce this bug, can you provide me with the input files?

[pxlxingliang]

@scott-5 You are right, I have identified the problem codes. I will fix it latter.

[scott-5]

Thank you. Roughly tested with the commit codes, the problem is solved. Expecting codes to be merged !