update documentation for the fact that exceptions in LAMMPS are always used
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@ -180,19 +180,11 @@ discarded but by setting the verbose flag (via setting the ``TEST_ARGS``
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environment variable, ``TEST_ARGS=-v``) it can be printed and used to
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understand why tests fail unexpectedly.
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Another complexity of these tests stems from the need to capture
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situations where LAMMPS will stop with an error, i.e. handle so-called
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"death tests". Here the LAMMPS code will operate differently depending
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on whether it was configured to throw C++ exceptions on errors or call
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either ``exit()`` or ``MPI_Abort()``. In the latter case, the test code
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also needs to detect whether LAMMPS was compiled with the OpenMPI
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library, as OpenMPI is **only** compatible the death test options of the
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GoogleTest library when C++ exceptions are enabled; otherwise those
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"death tests" must be skipped to avoid reporting bogus failures. The
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specifics of this step are implemented in the ``TEST_FAILURE()``
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macro. These tests operate by capturing the screen output when executing
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the failing command and then comparing that with a provided regular
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expression string pattern. Example:
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The specifics of so-called "death tests", i.e. conditions where LAMMPS
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should fail and throw an exception, are implemented in the
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``TEST_FAILURE()`` macro. These tests operate by capturing the screen
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output when executing the failing command and then comparing that with a
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provided regular expression string pattern. Example:
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.. code-block:: c++
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@ -3038,14 +3038,6 @@ Procedures Bound to the :f:type:`lammps` Derived Type
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This function can be used to query if an error inside of LAMMPS
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has thrown a :ref:`C++ exception <exceptions>`.
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.. note::
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This function will always report "no error" when the LAMMPS library
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has been compiled without ``-DLAMMPS_EXCEPTIONS``, which turns fatal
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errors aborting LAMMPS into C++ exceptions. You can use the library
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function :cpp:func:`lammps_config_has_exceptions` to check if this is
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the case.
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:to: :cpp:func:`lammps_has_error`
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:r has_error: ``.TRUE.`` if there is an error.
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:rtype has_error: logical
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@ -3068,13 +3060,6 @@ Procedures Bound to the :f:type:`lammps` Derived Type
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would happen only in a single MPI rank and thus may not be recoverable, as
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other MPI ranks may be waiting on the failing MPI rank(s) to send messages.
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.. note::
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This function will do nothing when the LAMMPS library has been
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compiled without ``-DLAMMPS_EXCEPTIONS``, which turns errors aborting
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LAMMPS into C++ exceptions. You can use the function
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:f:func:`config_has_exceptions` to check whether this is the case.
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:p character(len=\*) buffer: string buffer to copy the error message into
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:o integer(c_int) status [optional]: 1 when all ranks had the error,
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2 on a single-rank error.
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@ -80,13 +80,15 @@ run LAMMPS in serial mode.
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:class: note
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If the LAMMPS executable encounters an error condition, it will abort
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after printing an error message. For a library interface this is
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usually not desirable. Thus LAMMPS can be compiled to to :ref:`throw
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a C++ exception <exceptions>` instead. If enabled, the library
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functions will catch those exceptions and return. The error status
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:cpp:func:`can be queried <lammps_has_error>` and an :cpp:func:`error
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message retrieved <lammps_get_last_error_message>`. We thus
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recommend enabling C++ exceptions when using the library interface,
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after printing an error message. It does so by catching the
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exceptions that LAMMPS could throw. For a C library interface this
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is usually not desirable since the calling code might lack the
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ability to catch such exceptions. Thus, the library functions will
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catch those exceptions and return from the affected functions. The
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error status :cpp:func:`can be queried <lammps_has_error>` and an
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:cpp:func:`error message retrieved <lammps_get_last_error_message>`.
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This is, for example used by the :doc:`LAMMPS python module
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<Python_module>` and then a suitable Python exception is thrown.
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.. admonition:: Using the C library interface as a plugin
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:class: note
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@ -15,9 +15,7 @@ Python exception handling mechanism.
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try:
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# LAMMPS will normally terminate itself and the running process if an error
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# occurs. This would kill the Python interpreter. To avoid this, make sure to
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# compile with LAMMPS_EXCEPTIONS enabled. This ensures the library API calls
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# will not terminate the parent process. Instead, the library wrapper will
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# occurs. This would kill the Python interpreter. The library wrapper will
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# detect that an error has occured and throw a Python exception
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lmp.command('unknown')
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@ -5,8 +5,7 @@ The LAMMPS Python module enables calling the :ref:`LAMMPS C library API
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<lammps_c_api>` from Python by dynamically loading functions in the
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LAMMPS shared library through the Python `ctypes <ctypes_>`_
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module. Because of the dynamic loading, it is required that LAMMPS is
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compiled in :ref:`"shared" mode <exe>`. It is also recommended to
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compile LAMMPS with :ref:`C++ exceptions <exceptions>` enabled.
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compiled in :ref:`"shared" mode <exe>`.
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Two components are necessary for Python to be able to invoke LAMMPS code:
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@ -1044,10 +1044,9 @@ to built-in commands. For all of these styles except *command*,
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appending of active suffixes is also tried before reporting failure.
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The *feature* category checks the availability of the following
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compile-time enabled features: GZIP support, PNG support, JPEG
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support, FFMPEG support, and C++ exceptions for error
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handling. Corresponding names are *gzip*, *png*, *jpeg*, *ffmpeg* and
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*exceptions*\ .
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compile-time enabled features: GZIP support, PNG support, JPEG support,
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FFMPEG support, and C++ exceptions for error handling. Corresponding
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names are *gzip*, *png*, *jpeg*, *ffmpeg* and *exceptions*\ .
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Example: Only dump in a given format if the compiled binary supports it.
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@ -481,7 +481,7 @@ void lammps_error(void *handle, int error_type, const char *error_text)
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}
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END_CAPTURE
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// with enabled exceptions the above code will simply throw an
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// in case of an error the above code will simply throw an
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// exception and record the error message. So we have to explicitly
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// stop here like we do in main.cpp
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if (lammps_has_error(handle)) {
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@ -6608,13 +6608,6 @@ has thrown a :ref:`C++ exception <exceptions>`.
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instance, but instead would check the global error buffer of the
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library interface.
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.. note::
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This function will always report "no error" when the LAMMPS library
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has been compiled without ``-DLAMMPS_EXCEPTIONS``, which turns fatal
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errors aborting LAMMPS into C++ exceptions. You can use the library
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function :cpp:func:`lammps_config_has_exceptions` to check whether this is
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the case.
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\endverbatim
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*
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* \param handle pointer to a previously created LAMMPS instance cast to ``void *`` or NULL
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@ -6663,12 +6656,6 @@ the failing MPI ranks to send messages.
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The *buffer* pointer may be ``NULL``. This will clear any error
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status without copying the error message.
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.. note::
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This function will do nothing when the LAMMPS library has been
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compiled without ``-DLAMMPS_EXCEPTIONS``, which turns errors aborting
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LAMMPS into C++ exceptions. You can use the library function
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:cpp:func:`lammps_config_has_exceptions` to check whether this is the case.
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\endverbatim
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*
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* \param handle pointer to a previously created LAMMPS instance cast to ``void *`` or NULL.
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