Merge pull request #1862 from akohlmey/restart-consistency

   This should not happen unless you explicitly deleted

   a secondary fix that fix adapt created internally.

*Could not find fix halt variable name*

   Self-explanatory.

*Could not find fix gcmc exclusion group ID*

   Self-explanatory.

   The dimension command cannot be used after a read_data,

   read_restart, or create_box command.

*Disk limit not supported by OS or illegal path*

   Self-explanatory.

*Dispersion PPPMDisp order has been reduced below minorder*

   The default minimum order is 2.  This can be reset by the

   kspace_modify minorder command.

*Fix gld tau coefficients must be > 0*

   Self-explanatory.

*Fix halt variable is not equal-style variable*

   Self-explanatory.

*Fix heat group has no atoms*

   Self-explanatory.

*Invalid fix box/relax pressure settings*

   Settings for coupled dimensions must be the same.

*Invalid fix halt attribute*

   Self-explanatory.

*Invalid fix halt operator*

   Self-explanatory.

*Invalid fix nvt/npt/nph command for a 2d simulation*

   Cannot control z dimension in a 2d model.

   A FENE bond has stretched dangerously far.  It's interaction strength

   will be truncated to attempt to prevent the bond from blowing up.

*Fix halt condition for fix-id %s met on step %ld with value %g*

   Self explanatory.

*Fix SRD walls overlap but fix srd overlap not set*

   You likely want to set this in your input script.

Download an executable for Linux or Mac via Conda

=================================================

Binaries are available for macOS or Linux via `Conda <conda_>`_.

Binaries are available for MacOS or Linux via `Conda <conda_>`_.

First, one must setup the Conda package manager on your system.  Follow the

instructions to install `Miniconda <mini_conda_install_>`_, then create a conda

  .. parsed-literal::

       bondmax = length of longest bond in the system

       tlimit = elapsed CPU time

       bondmax = length of longest bond in the system (in length units)

       tlimit = elapsed CPU time (in seconds)

       diskfree = free disk space (in megabytes)

       v_name = name of :doc:`equal-style variable <variable>`

* operator = "<" or "<=" or ">" or ">=" or "==" or "!=" or "\|\^"

* avalue = numeric value to compare attribute to

* zero or more keyword/value pairs may be appended

* keyword = *error* or *message*

* keyword = *error* or *message* or *path*

  .. parsed-literal::

       *error* value = *hard* or *soft* or *continue*

       *message* value = *yes* or *no*

       *path* value = path to check for free space (may be in quotes)

Examples

""""""""

.. code-block:: LAMMPS

   fix 10 all halt 1 bondmax > 1.5

   fix 10 all print 10 v_myCheck != 0 error soft

   fix 10 all halt 10 v_myCheck != 0 error soft

   fix 10 all halt 100 diskfree < 100000.0 path "dump storage/."

Description

"""""""""""

Check a condition every N steps during a simulation run.  N must be >=

1.  If the condition is met, exit the run immediately.  In this

context a "run" can be dynamics or minimization iterations, as

specified by the :doc:`run <run>` or :doc:`minimize <minimize>` command.

Check a condition every N steps during a simulation run.  N must be >=1.

If the condition is met, exit the run.  In this context a "run" can be

dynamics or minimization iterations, as specified by the :doc:`run

<run>` or :doc:`minimize <minimize>` command.

The specified group-ID is ignored by this fix.

The specified *attribute* can be one of the options listed above,

namely *bondmax* or *tlimit*\ , or an :doc:`equal-style variable <variable>` referenced as *v_name*, where "name" is the

name of a variable that has been defined previously in the input

script.

The specified *attribute* can be one of the options listed above, namely

*bondmax*, *tlimit*\ , *diskfree*\ , or an :doc:`equal-style variable

<variable>` referenced as *v_name*, where "name" is the name of a

variable that has been defined previously in the input script.

The *bondmax* attribute will loop over all bonds in the system,

compute their current lengths, and set *attribute* to the longest bond

the timer frequently across a large number of processors may be

non-negligible.

The *diskfree* attribute will check for available disk space (in

megabytes) on supported operating systems. By default it will

check the file system of the current working directory.  This

can be changed with the optional *path* keyword, which will take

the path to a file or folder on the file system to be checked

as argument.  This path must be given with single or double quotes,

if it contains blanks or other special characters (like \$).

Equal-style variables evaluate to a numeric value.  See the

:doc:`variable <variable>` command for a description.  They calculate

formulas which can involve mathematical operations, atom properties,

Restrictions

""""""""""""

 none

The *diskfree* attribute is currently only supported on Linux and MacOS.

Related commands

""""""""""""""""

Default

"""""""

The option defaults are error = hard and message = yes.

The option defaults are error = hard, message = yes, and path = ".".

Mackrodt

Macromolecules

macroparticle

macOS

MacOS

Madura

Magda

Magdeburg