84 lines
2.5 KiB
ReStructuredText
84 lines
2.5 KiB
ReStructuredText
.. index:: dump atom/adios
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.. index:: dump custom/adios
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dump atom/adios command
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=========================
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dump custom/adios command
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=========================
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Syntax
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""""""
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.. code-block:: LAMMPS
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dump ID group-ID atom/adios N file.bp
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dump ID group-ID custom/adios N file.bp args
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* ID = user-assigned name for the dump
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* group-ID = ID of the group of atoms to be imaged
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* adios = style of dump command (other styles *atom* or *cfg* or *dcd* or *xtc* or *xyz* or *local* or *custom* are discussed on the :doc:`dump <dump>` doc page)
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* N = dump every this many timesteps
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* file.bp = name of file/stream to write to
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* args = same options as in :doc:`dump custom <dump>` command
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Examples
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""""""""
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.. code-block:: LAMMPS
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dump adios1 all atom/adios 100 atoms.bp
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dump 4a all custom/adios 100 dump_adios.bp id v_p x y z
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dump 2 subgroup custom/adios 100 dump_adios.bp mass type xs ys zs vx vy vz
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Description
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"""""""""""
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Dump a snapshot of atom coordinates every :math:`N` timesteps in the `ADIOS
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<adios_>`_-based "BP" file format, or using different I/O solutions in
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ADIOS, to a stream that can be read on-line by another program.
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ADIOS-BP files are binary, portable, and self-describing.
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.. _adios: https://github.com/ornladios/ADIOS2
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.. note::
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To be able to use ADIOS, a file ``adios2_config.xml`` with specific
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configuration settings is expected in the current working directory.
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If the file is not present, LAMMPS will try to create a minimal
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default file. Please refer to the ADIOS documentation for details on
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how to adjust this file for optimal performance and desired features.
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**Use from write_dump:**
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It is possible to use these dump styles with the
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:doc:`write_dump <write_dump>` command. In this case, the sub-intervals
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must not be set at all. The write_dump command can be used to
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create a new file at each individual dump.
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.. code-block:: LAMMPS
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dump 4 all atom/adios 100 dump.bp
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write_dump all atom/adios singledump.bp
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----------
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Restrictions
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""""""""""""
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The number of atoms per snapshot **can** change with the adios style.
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When using the ADIOS tool 'bpls' to list the content of a .bp file,
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bpls will print *__* for the size of the output table indicating that
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its size is changing every step.
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The *atom/adios* and *custom/adios* dump styles are part of the ADIOS
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package. They are only enabled if LAMMPS was built with that package.
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See the :doc:`Build package <Build_package>` page for more info.
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----------
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Related commands
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""""""""""""""""
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:doc:`dump <dump>`, :doc:`dump_modify <dump_modify>`, :doc:`undump <undump>`
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