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dump atom/adios command

dump custom/adios command

Syntax

dump ID group-ID atom/adios N file.bp
dump ID group-ID custom/adios N file.bp args

  • ID = user-assigned name for the dump

  • group-ID = ID of the group of atoms to be imaged

  • adios = style of dump command (other styles atom or cfg or dcd or xtc or xyz or local or custom are discussed on the dump doc page)

  • N = dump every this many timesteps

  • file.bp = name of file/stream to write to

  • args = same options as in dump custom command

Examples

dump adios1 all atom/adios   100 atoms.bp
dump 4a     all custom/adios 100 dump_adios.bp id v_p x y z
dump 2 subgroup custom/adios 100 dump_adios.bp mass type xs ys zs vx vy vz

Description

Dump a snapshot of atom coordinates every \(N\) timesteps in the ADIOS-based “BP” file format, or using different I/O solutions in ADIOS, to a stream that can be read on-line by another program. ADIOS-BP files are binary, portable, and self-describing.

Note

To be able to use ADIOS, a file adios2_config.xml with specific configuration settings is expected in the current working directory. If the file is not present, LAMMPS will try to create a minimal default file. Please refer to the ADIOS documentation for details on how to adjust this file for optimal performance and desired features.

Use from write_dump:

It is possible to use these dump styles with the write_dump command. In this case, the sub-intervals must not be set at all. The write_dump command can be used to create a new file at each individual dump.

dump 4     all atom/adios 100 dump.bp
write_dump all atom/adios singledump.bp

Restrictions

The number of atoms per snapshot can change with the adios style. When using the ADIOS tool ‘bpls’ to list the content of a .bp file, bpls will print __ for the size of the output table indicating that its size is changing every step.

The atom/adios and custom/adios dump styles are part of the ADIOS package. They are only enabled if LAMMPS was built with that package. See the Build package page for more info.