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Getting error Transformations file does not exist error #95

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viswa72 opened this issue Nov 8, 2023 · 0 comments
Open

Getting error Transformations file does not exist error #95

viswa72 opened this issue Nov 8, 2023 · 0 comments

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@viswa72
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viswa72 commented Nov 8, 2023

Hi Good afternoon,
Downloaded leastest code from git. After that tried the following command.
To start the server .

"c:\Program Files\MongoDB\Server\7.0\bin\mongod.exe" --dbpath test_db
from other command prompt
python pymatgen-db\scripts\mgdb insert -c db.json test_db
Then it is shwoing the following output and got the error.

2842 msecs : Scanning for valid paths...
5760 msecs : 6 valid paths found.
C:\python\lib\site-packages\pymatgen\io\vasp\outputs.py:383: UnconvergedVASPWarning: pymatgen-db\test_files\db_test\stopped_mp_aflow\relax1\vasprun.xml is an unconverged VASP run.
Electronic convergence reached: False.
Ionic convergence reached: True.
warnings.warn(msg, UnconvergedVASPWarning)
Traceback (most recent call last):
File "C:\python\lib\site-packages\pymatgen\db\creator.py", line 510, in generate_doc
self.process_vasprun(dir_name, taskname, filename) for taskname, filename in vasprun_files.items()
File "C:\python\lib\site-packages\pymatgen\db\creator.py", line 510, in
self.process_vasprun(dir_name, taskname, filename) for taskname, filename in vasprun_files.items()
File "C:\python\lib\site-packages\pymatgen\db\creator.py", line 478, in process_vasprun
r = Vasprun(vasprun_file, parse_projected_eigen=parse_projected_eigen)
File "C:\python\lib\site-packages\pymatgen\io\vasp\outputs.py", line 371, in init
parse_projected_eigen=parse_projected_eigen,
File "C:\python\lib\site-packages\pymatgen\io\vasp\outputs.py", line 480, in _parse
raise ex
File "C:\python\lib\site-packages\pymatgen\io\vasp\outputs.py", line 395, in _parse
for event, elem in ET.iterparse(stream):
File "C:\python\lib\xml\etree\ElementTree.py", line 1228, in iterator
root = pullparser._close_and_return_root()
File "C:\python\lib\xml\etree\ElementTree.py", line 1275, in _close_and_return_root
root = self._parser.close()
File "", line None
xml.etree.ElementTree.ParseError: no element found: line 48888, column 0

Error in C:\work\pymatgen\pymatgen-db\test_files\db_test\killed_mp_aflow.
Traceback (most recent call last):
File "C:\python\lib\site-packages\pymatgen\db\creator.py", line 510, in generate_doc
self.process_vasprun(dir_name, taskname, filename) for taskname, filename in vasprun_files.items()
File "C:\python\lib\site-packages\pymatgen\db\creator.py", line 510, in
self.process_vasprun(dir_name, taskname, filename) for taskname, filename in vasprun_files.items()
File "C:\python\lib\site-packages\pymatgen\db\creator.py", line 478, in process_vasprun
r = Vasprun(vasprun_file, parse_projected_eigen=parse_projected_eigen)
File "C:\python\lib\site-packages\pymatgen\io\vasp\outputs.py", line 371, in init
parse_projected_eigen=parse_projected_eigen,
File "C:\python\lib\site-packages\pymatgen\io\vasp\outputs.py", line 480, in _parse
raise ex
File "C:\python\lib\site-packages\pymatgen\io\vasp\outputs.py", line 395, in _parse
for event, elem in ET.iterparse(stream):
File "C:\python\lib\xml\etree\ElementTree.py", line 1228, in iterator
root = pullparser._close_and_return_root()
File "C:\python\lib\xml\etree\ElementTree.py", line 1275, in _close_and_return_root
root = self._parser.close()
File "", line None
xml.etree.ElementTree.ParseError: no element found: line 48888, column 0

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