A problem of init_bulk

[nzynpu]

init_bulk task has always been normal, but recently this error suddenly appeared, what is the reason for this?

File "/public/home/sugon/.local/lib/python3.9/site-packages/dpgen/data/tools/create_random_disturb.py", line 13, in

from dpgen.generator.lib.abacus_scf import get_abacus_STRU, make_abacus_scf_stru

ModuleNotFoundError: No module named 'dpgen'

Traceback (most recent call last):

File "/public/home/sugon/.local/bin/dpgen", line 8, in

sys.exit(main())

File "/public/home/sugon/.local/lib/python3.9/site-packages/dpgen/main.py", line 185, in main

args.func(args)

File "/public/home/sugon/.local/lib/python3.9/site-packages/dpgen/data/gen.py", line 1433, in gen_init_bulk

pert_scaled(jdata)

File "/public/home/sugon/.local/lib/python3.9/site-packages/dpgen/data/gen.py", line 701, in pert_scaled sp.check_call(pert_cmd, shell = True)

File "/public/home/sugon/miniconda3/lib/python3.9/subprocess.py", line 373, in check_call

raise CalledProcessError(retcode, cmd)

subprocess.CalledProcessError: Command 'python3 /public/home/sugon/.local/lib/python3.9/site-packages/dpgen/data/tools/create_random_disturb.py -etmax 0.030000 -ofmt vasp POSCAR 30 0.010000 > /dev/null' returned non-zero exit status 1.

[HuangJiameng]

ModuleNotFoundError: No module named 'dpgen'
Something is wrong with your environment.

[Kangxuxin]

Teacher, what environment does the environment refer to? Can you give more details?

[Kangxuxin]

Did you solve your problem? I also met the same problem.

2023-01-05 00:36:55,251 - INFO : info:check_all_finished: False
2023-01-05 00:36:55,256 - INFO : job: 18a36fe7643034ad466cfd62dbd66b181c332354 unsubmitted; submit it
2023-01-05 00:36:55,305 - INFO : job: 18a36fe7643034ad466cfd62dbd66b181c332354 submit; job_id is 18570
2023-01-05 00:37:26,606 - INFO : job: 18a36fe7643034ad466cfd62dbd66b181c332354 18570 finished
Traceback (most recent call last):
File "/public/home/duanxiangmei/softwore/dpgen/lib/python3.8/site-packages/dpgen/data/tools/create_random_disturb.py", line 10, in
import ase.io
ModuleNotFoundError: No module named 'ase'
Traceback (most recent call last):
File "/public/home/duanxiangmei/softwore/dpgen/bin/dpgen", line 10, in
sys.exit(main())
File "/public/home/duanxiangmei/softwore/dpgen/lib/python3.8/site-packages/dpgen/main.py", line 175, in main
args.func(args)
File "/public/home/duanxiangmei/softwore/dpgen/lib/python3.8/site-packages/dpgen/data/gen.py", line 784, in gen_init_bulk
pert_scaled(jdata)
File "/public/home/duanxiangmei/softwore/dpgen/lib/python3.8/site-packages/dpgen/data/gen.py", line 413, in pert_scaled
sp.check_call(pert_cmd, shell = True)
File "/public/home/duanxiangmei/softwore/dpgen/lib/python3.8/subprocess.py", line 364, in check_call
raise CalledProcessError(retcode, cmd)
subprocess.CalledProcessError: Command 'python3 /public/home/duanxiangmei/softwore/dpgen/lib/python3.8/site-packages/dpgen/data/tools/create_random_disturb.py -etmax 0.030000 -ofmt vasp POSCAR 30 0.010000 > /dev/null' returned non-zero exit status 1.

[HuangJiameng]

ModuleNotFoundError: No module named 'ase'

Try pip install ase to install ase

[njzjz]

The possible reason is that the hard-coded Python executable is not the Python that runs DP-GEN. @HuangJiameng Could you submit a PR to replace all python3 by sys.executable?

[Kangxuxin]

Thank you teacher. By modifying the gen.py and surf.py files, my problem has been solved.