45 lines
1.3 KiB
ReStructuredText
45 lines
1.3 KiB
ReStructuredText
Troubleshooting
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***************
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Testing if Python can launch LAMMPS
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===================================
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To test if LAMMPS is callable from Python, launch Python interactively
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and type:
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.. code-block:: python
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>>> from lammps import lammps
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>>> lmp = lammps()
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If you get no errors, you're ready to use LAMMPS from Python. If the
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second command fails, the most common error to see is
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.. code-block:: bash
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OSError: Could not load LAMMPS dynamic library
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which means Python was unable to load the LAMMPS shared library. This
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typically occurs if the system can't find the LAMMPS shared library or
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one of the auxiliary shared libraries it depends on, or if something
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about the library is incompatible with your Python. The error message
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should give you an indication of what went wrong.
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If your shared library uses a suffix, such as ``liblammps_mpi.so``, change
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the constructor call as follows (see :ref:`python_create_lammps` for more details):
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.. code-block:: python
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>>> lmp = lammps(name='mpi')
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You can also test the load directly in Python as follows, without
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first importing from the ``lammps`` module:
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.. code-block:: python
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>>> from ctypes import CDLL
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>>> CDLL("liblammps.so")
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If an error occurs, carefully go through the steps in :ref:`python_install_guides` and on the
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:doc:`Build_basics <Build_basics>` doc page about building a shared library.
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