Problem: When running dpgen, I get an error after calculating the vasp task in the first step of ‘fp’.

[Luo-Xiaofeng]

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When running the methane molecule example, the steps for deepmd-kit and MD have been completed.

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Description
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INFO:dpgen:-------------------------iter.000000 task 01--------------------------
2024-08-04 09:28:17,341 - INFO : info:check_all_finished: False
2024-08-04 09:28:17,361 - INFO : job: b0c8414584744f26ee7837c5d969d6d6ff6562f7 submit; job_id is 198753
2024-08-04 09:34:19,435 - INFO : job: b0c8414584744f26ee7837c5d969d6d6ff6562f7 198753 finished
INFO:dpgen:-------------------------iter.000000 task 02--------------------------
INFO:dpgen:-------------------------iter.000000 task 03--------------------------
INFO:dpgen:-------------------------iter.000000 task 04--------------------------
2024-08-04 09:34:19,747 - INFO : info:check_all_finished: False
2024-08-04 09:34:19,790 - INFO : job: bb112fb76458d94e601ae9acc7625065a3783768 submit; job_id is 200369
2024-08-04 09:34:19,801 - INFO : job: ffc6fd65c60041c2ccb566e8a054c07d58032e09 submit; job_id is 200371
2024-08-04 09:34:19,813 - INFO : job: 9d2e59595f571a79c6b526132dd002910a90135d submit; job_id is 200377
2024-08-04 09:34:19,824 - INFO : job: 6856fa911511920db3c0016a3ecee3c21a0adb59 submit; job_id is 200385
2024-08-04 09:34:19,836 - INFO : job: 081c80e8e315c3f0f2935bb0d0f62606693e450e submit; job_id is 200393
2024-08-04 09:34:51,331 - INFO : job: bb112fb76458d94e601ae9acc7625065a3783768 200369 finished
2024-08-04 09:34:51,355 - INFO : job: ffc6fd65c60041c2ccb566e8a054c07d58032e09 200371 finished
2024-08-04 09:34:51,376 - INFO : job: 9d2e59595f571a79c6b526132dd002910a90135d 200377 finished
2024-08-04 09:34:51,398 - INFO : job: 6856fa911511920db3c0016a3ecee3c21a0adb59 200385 finished
2024-08-04 09:34:51,429 - INFO : job: 081c80e8e315c3f0f2935bb0d0f62606693e450e 200393 finished
INFO:dpgen:-------------------------iter.000000 task 05--------------------------
INFO:dpgen:-------------------------iter.000000 task 06--------------------------
INFO:dpgen:system 000 candidate : 263 in 310 84.84 %
INFO:dpgen:system 000 failed : 28 in 310 9.03 %
INFO:dpgen:system 000 accurate : 19 in 310 6.13 %
INFO:dpgen:system 000 accurate_ratio: 0.0613 thresholds: 1.0000 and 1.0000 eff. task min and max -1 20 number of fp tasks: 20
INFO:dpgen:-------------------------iter.000000 task 07--------------------------
2024-08-04 09:34:51,992 - INFO : info:check_all_finished: False
2024-08-04 09:34:52,111 - INFO : job: c41d68c54648fccd53595ad5e3006c3715daccba submit; job_id is 347366.master
2024-08-04 09:34:52,150 - INFO : job: 51d4d60b7b3466348823ce5e2256d128a13bafbc submit; job_id is 347367.master
2024-08-04 09:34:52,187 - INFO : job: e8046be278e7aee7187abb8f3ef1ce261590a333 submit; job_id is 347368.master
2024-08-04 09:34:52,224 - INFO : job: 5421f78b6a0c9d7a09440e5976dbf387f6bcf087 submit; job_id is 347369.master
2024-08-04 09:34:52,262 - INFO : job: 52ceb720d9ec924a30b3dd4813009e151e1deded submit; job_id is 347370.master

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Calculation of task 07 using vasp has been successfully completed, but the following error occurs while working on task 08:

Traceback (most recent call last):

File "/home/lxf/deepmd-kit/bin/dpgen", line 8, in
sys.exit(main())
^^^^^^
File "/home/lxf/deepmd-kit/lib/python3.11/site-packages/dpgen/main.py", line 255, in main
args.func(args)
File "/home/lxf/deepmd-kit/lib/python3.11/site-packages/dpgen/generator/run.py", line 5394, in gen_run
run_iter(args.PARAM, args.MACHINE)
File "/home/lxf/deepmd-kit/lib/python3.11/site-packages/dpgen/generator/run.py", line 4746, in run_iter
run_fp(ii, jdata, mdata)
File "/home/lxf/deepmd-kit/lib/python3.11/site-packages/dpgen/generator/run.py", line 3966, in run_fp
run_fp_inner(
File "/home/lxf/deepmd-kit/lib/python3.11/site-packages/dpgen/generator/run.py", line 3945, in run_fp_inner
submission.run_submission()
File "/home/lxf/deepmd-kit/lib/python3.11/site-packages/dpdispatcher/submission.py", line 234, in run_submission
self.update_submission_state()
File "/home/lxf/deepmd-kit/lib/python3.11/site-packages/dpdispatcher/submission.py", line 345, in update_submission_state
job.get_job_state()
File "/home/lxf/deepmd-kit/lib/python3.11/site-packages/dpdispatcher/submission.py", line 831, in get_job_state
job_state = self.machine.check_status(self)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/lxf/deepmd-kit/lib/python3.11/site-packages/dpdispatcher/machines/pbs.py", line 93, in check_status
status_word = status_line.split()[-2]
~~~~~~~~~~~~~~~~~~~^^^^
IndexError: list index out of range

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Also attached files: machine.json and param.json**

param.json
machine.json

[njzjz]

deepmodeling/dpdispatcher#84

[Luo-Xiaofeng]

We can find the run.py script that reported the error and change or add ‘-l’ after ‘qstat’ in the script.