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Description
Summary
I come across a problem that dpgen cannot recognize vasp_std
DP-GEN Version
0.13.2
Platform, Python Version, etc
Ubuntu 24.04.3 LTS
Details
vasp was firstly installed and can be successfully runned.After installing deepmd-kit and dpgen in conda environment,I ran the examples provided in "Hands-on tutorial for DP-GEN (v0.10.6)",and come across an error:
INFO:dpgen:-------------------------iter.000000 task 07--------------------------
2025-10-13 10:54:49,753 - INFO : info:check_all_finished: False
2025-10-13 10:54:49,759 - INFO : job: 8990a877934816f287da1378d33e5bdd76594d8a submit; job_id is 63693
2025-10-13 10:54:50,776 - INFO : job: 8990a877934816f287da1378d33e5bdd76594d8a 63693 terminated; fail_cout is 1; resubmitting job
2025-10-13 10:54:50,778 - INFO : job:8990a877934816f287da1378d33e5bdd76594d8a re-submit after terminated; new job_id is 63999
2025-10-13 10:54:51,007 - INFO : job:8990a877934816f287da1378d33e5bdd76594d8a job_id:63999 after re-submitting; the state now is <JobStatus.running: 3>
2025-10-13 10:55:21,023 - INFO : job: 8990a877934816f287da1378d33e5bdd76594d8a 63999 terminated; fail_cout is 2; resubmitting job
2025-10-13 10:55:21,025 - INFO : job:8990a877934816f287da1378d33e5bdd76594d8a re-submit after terminated; new job_id is 64320
2025-10-13 10:55:21,255 - INFO : job:8990a877934816f287da1378d33e5bdd76594d8a job_id:64320 after re-submitting; the state now is <JobStatus.running: 3>
2025-10-13 10:55:51,271 - INFO : job: 8990a877934816f287da1378d33e5bdd76594d8a 64320 terminated; fail_cout is 3; resubmitting job
Traceback (most recent call last):
File "/home/wjj/.local/lib/python3.12/site-packages/dpdispatcher/submission.py", line 356, in handle_unexpected_submission_state
job.handle_unexpected_job_state()
File "/home/wjj/.local/lib/python3.12/site-packages/dpdispatcher/submission.py", line 855, in handle_unexpected_job_state
raise RuntimeError(err_msg)
RuntimeError: job:8990a877934816f287da1378d33e5bdd76594d8a 64320 failed 3 times.
Possible remote error message: ==> /home/ecust/lws/908a36d8905077a9f8ff1d3d86d69c9db3c9cd0e/task.000.000003/fp.log <==
[proxy:0:0@wjj] HYD_spawn (../../../../../src/pm/i_hydra/libhydra/spawn/intel/hydra_spawn.c:177): execvp error on file vasp_std (No such file or directory)
[proxy:0:0@wjj] HYD_spawn (../../../../../src/pm/i_hydra/libhydra/spawn/intel/hydra_spawn.c:177): execvp error on file vasp_std (No such file or directory)
[proxy:0:0@wjj] HYD_spawn (../../../../../src/pm/i_hydra/libhydra/spawn/intel/hydra_spawn.c:177): execvp error on file vasp_std (No such file or directory)
[proxy:0:0@wjj] HYD_spawn (../../../../../src/pm/i_hydra/libhydra/spawn/intel/hydra_spawn.c:177): execvp error on file vasp_std (No such file or directory)
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "/home/wjj/.local/bin/dpgen", line 7, in
sys.exit(main())
^^^^^^
File "/home/wjj/.local/lib/python3.12/site-packages/dpgen/main.py", line 255, in main
args.func(args)
File "/home/wjj/.local/lib/python3.12/site-packages/dpgen/generator/run.py", line 5474, in gen_run
run_iter(args.PARAM, args.MACHINE)
File "/home/wjj/.local/lib/python3.12/site-packages/dpgen/generator/run.py", line 4826, in run_iter
run_fp(ii, jdata, mdata)
File "/home/wjj/.local/lib/python3.12/site-packages/dpgen/generator/run.py", line 4047, in run_fp
run_fp_inner(
File "/home/wjj/.local/lib/python3.12/site-packages/dpgen/generator/run.py", line 4026, in run_fp_inner
submission.run_submission()
File "/home/wjj/.local/lib/python3.12/site-packages/dpdispatcher/submission.py", line 260, in run_submission
self.handle_unexpected_submission_state()
File "/home/wjj/.local/lib/python3.12/site-packages/dpdispatcher/submission.py", line 360, in handle_unexpected_submission_state
raise RuntimeError(
RuntimeError: Meet errors will handle unexpected submission state.
Debug information: remote_root==/home/ecust/lws/908a36d8905077a9f8ff1d3d86d69c9db3c9cd0e.
Debug information: submission_hash==908a36d8905077a9f8ff1d3d86d69c9db3c9cd0e.
Please check error messages above and in remote_root. The submission information is saved in /home/wjj/.dpdispatcher/submission/908a36d8905077a9f8ff1d3d86d69c9db3c9cd0e.json.
For furthur actions, run the following command with proper flags: dpdisp submission 908a36d8905077a9f8ff1d3d86d69c9db3c9cd0e
vasp can be runned separately both in and out of the conda environment.Seems that dpgen cannt identify the vasp_std