Hello again,
I am trying to use python scripts to perform a more difficult calculation on data during a LAMMPS script, but I am having a problem getting it to run correctly.
I have downloaded the “LAMMPS 64-bit 22Jul2025 with Python” version for Windows and no matter what script I try running, lammps crashes and I get the following output:
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "C:\Users\User\AppData\Roaming\Python\Python312\Scripts\lmp.exe\__main__.py", line 2, in <module>
File "C:\Users\User\AppData\Local\LAMMPS 64-bit 22Jul2025 with Python\Python\lammps\__init__.py", line 54, in <module>
__version__ = get_version_number()
^^^^^^^^^^^^^^^^^^^^
File "C:\Users\User\AppData\Local\LAMMPS 64-bit 22Jul2025 with Python\Python\lammps\__init__.py", line 51, in get_version_number
t = time.strptime(vstring, "%Y.%m.%d")
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\Python312\Lib\_strptime.py", line 549, in _strptime_time
tt = _strptime(data_string, format)[0]
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\Python312\Lib\_strptime.py", line 336, in _strptime
raise ValueError("unconverted data remains: %s" %
ValueError: unconverted data remains: .4.0
I have attempted a few, including from the examples in the documentation. Even just running this:
python python_hello input 1 SELF format p here """
def python_hello(handle):
from lammps import lammps
lmp = lammps(ptr=handle)
me = lmp.extract_setting('world_rank')
if me == 0:
print('Hello, LAMMPS!')
"""
python python_hello invoke
causes the above error to appear.
I presume I have set something up incorrectly. Could you suggest what I might be doing wrong?
Thank you for your time.
), can you confirm that you are using the latest stable version update, e.g. this one: