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Hello!
My OUTCAR is not complete, it was interrupted halfway.
I read it directly and got the following error:
xwj@eniac:~/materials/Cu-Li/Cu100@Li100$ python vasp-dp.py
Traceback (most recent call last):
File "/home/xwj/materials/Cu-Li/Cu100@Li100/vasp-dp.py", line 10, in
data = dpdata.LabeledSystem('./OUTCAR', fmt = 'vasp/outcar')
File "/root/soft/miniconda3/envs/deepmd/lib/python3.10/site-packages/dpdata/system.py", line 183, in init
self.from_fmt(
File "/root/soft/miniconda3/envs/deepmd/lib/python3.10/site-packages/dpdata/system.py", line 220, in from_fmt
return self.from_fmt_obj(load_format(fmt), file_name, **kwargs)
File "/root/soft/miniconda3/envs/deepmd/lib/python3.10/site-packages/dpdata/system.py", line 1113, in from_fmt_obj
data = fmtobj.from_labeled_system(file_name, **kwargs)
File "/root/soft/miniconda3/envs/deepmd/lib/python3.10/site-packages/dpdata/plugins/vasp.py", line 79, in from_labeled_system
) = dpdata.vasp.outcar.get_frames(
File "/root/soft/miniconda3/envs/deepmd/lib/python3.10/site-packages/dpdata/vasp/outcar.py", line 76, in get_frames
coord, cell, energy, force, virial, is_converge = analyze_block(
File "/root/soft/miniconda3/envs/deepmd/lib/python3.10/site-packages/dpdata/vasp/outcar.py", line 145, in analyze_block
assert (force is not None) and len(coord) > 0 and len(cell) > 0
AssertionError
I want to use such OUTCAR. what should I do to make sure i have correct reading.
I split it because the file was too large. Here are my files:
The first two files need to be manually removed from the .zip suffix
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Hello!
My OUTCAR is not complete, it was interrupted halfway.
I read it directly and got the following error:
I want to use such OUTCAR. what should I do to make sure i have correct reading.
I split it because the file was too large. Here are my files:
The first two files need to be manually removed from the .zip suffix
OUTCAR.z02.zip
OUTCAR.zip
OUTCAR.z01.zip
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