133 lines
4.3 KiB
ReStructuredText
133 lines
4.3 KiB
ReStructuredText
.. index:: info
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info command
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============
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Syntax
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""""""
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.. parsed-literal::
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info args
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* args = one or more of the following keywords: *out*, *all*, *system*, *memory*, *communication*, *computes*, *dumps*, *fixes*, *groups*, *regions*, *variables*, *coeffs*, *styles*, *time*, *accelerator*, or *configuration*
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* *out* values = *screen*, *log*, *append* filename, *overwrite* filename
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* *styles* values = *all*, *angle*, *atom*, *bond*, *compute*, *command*, *dump*, *dihedral*, *fix*, *improper*, *integrate*, *kspace*, *minimize*, *pair*, *region*
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Examples
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""""""""
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.. code-block:: LAMMPS
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info system
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info groups computes variables
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info all out log
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info all out append info.txt
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info styles all
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info styles atom
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Description
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"""""""""""
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Print out information about the current internal state of the running
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LAMMPS process. This can be helpful when debugging or validating
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complex input scripts. Several output categories are available and
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one or more output category may be requested.
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The *out* flag controls where the output is sent. It can only be sent
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to one target. By default this is the screen, if it is active. The
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*log* argument selects the log file instead. With the *append* and
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*overwrite* option, followed by a filename, the output is written
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to that file, which is either appended to or overwritten, respectively.
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The *all* flag activates printing all categories listed below.
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The *configuration* category prints some information about the
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LAMMPS version as well as architecture and OS it is run on.
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The *memory* category prints some information about the current
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memory allocation of MPI rank 0 (this the amount of dynamically
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allocated memory reported by LAMMPS classes). Where supported,
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also some OS specific information about the size of the reserved
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memory pool size (this is where malloc() and the new operator
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request memory from) and the maximum resident set size is reported
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(this is the maximum amount of physical memory occupied so far).
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The *system* category prints a general system overview listing. This
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includes the unit style, atom style, number of atoms, bonds, angles,
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dihedrals, and impropers and the number of the respective types, box
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dimensions and properties, force computing styles and more.
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The *communication* category prints a variety of information about
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communication and parallelization: the MPI library version level,
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the number of MPI ranks and OpenMP threads, the communication style
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and layout, the processor grid dimensions, ghost atom communication
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mode, cutoff, and related settings.
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The *computes* category prints a list of all currently defined
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computes, their IDs and styles and groups they operate on.
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The *dumps* category prints a list of all currently active dumps,
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their IDs, styles, filenames, groups, and dump frequencies.
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The *fixes* category prints a list of all currently defined fixes,
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their IDs and styles and groups they operate on.
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The *groups* category prints a list of all currently defined groups.
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The *regions* category prints a list of all currently defined regions,
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their IDs and styles and whether "inside" or "outside" atoms are
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selected.
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The *variables* category prints a list of all currently defined
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variables, their names, styles, definition and last computed value, if
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available.
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The *coeffs* category prints a list for each defined force style
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(pair, bond, angle, dihedral, improper) indicating which of the
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corresponding coefficients have been set. This can be very helpful
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to debug error messages like "All pair coeffs are not set".
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The *accelerator* category prints out information about compile time
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settings of included accelerator support for the GPU, KOKKOS, INTEL,
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and OPENMP packages.
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The *styles* category prints the list of styles available in the
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current LAMMPS binary. It supports one of the following options
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to control which category of styles is printed out:
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* all
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* angle
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* atom
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* bond
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* compute
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* command
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* dump
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* dihedral
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* fix
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* improper
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* integrate
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* kspace
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* minimize
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* pair
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* region
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The *time* category prints the accumulated CPU and wall time for the
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process that writes output (usually MPI rank 0).
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Restrictions
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""""""""""""
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none
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Related commands
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""""""""""""""""
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:doc:`print <print>`
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Default
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"""""""
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The *out* option has the default *screen*\ .
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The *styles* option has the default *all*\ .
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