574e4067dc
This is the first step for moving the documentation format from *.txt to the *.rst format. In the last years we've been automatically converting txt files from Steve's markup into RST to generate the documentation pages via Sphinx. The decision has now been made to fully migrate to RST and avoid the conversion in the future. This will enable us to fully use RST and Sphinx to improve the documentation. For the intermediate period, while there are still pending PRs with documentation changes, we will keep both source files and update the RST files accordingly.
129 lines
3.6 KiB
ReStructuredText
129 lines
3.6 KiB
ReStructuredText
.. index:: shell
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shell command
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=============
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Syntax
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""""""
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.. parsed-literal::
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shell cmd args
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* cmd = *cd* or *mkdir* or *mv* or *rm* or *rmdir* or *putenv* or arbitrary command
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.. parsed-literal::
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*cd* arg = dir
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dir = directory to change to
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*mkdir* args = dir1 dir2 ...
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dir1,dir2 = one or more directories to create
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*mv* args = old new
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old = old filename
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new = new filename
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*rm* args = file1 file2 ...
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file1,file2 = one or more filenames to delete
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*rmdir* args = dir1 dir2 ...
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dir1,dir2 = one or more directories to delete
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*putenv* args = var1=value1 var2=value2
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var=value = one of more definitions of environment variables
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anything else is passed as a command to the shell for direct execution
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Examples
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""""""""
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.. parsed-literal::
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shell cd sub1
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shell cd ..
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shell mkdir tmp1 tmp2 tmp3
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shell rmdir tmp1
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shell mv log.lammps hold/log.1
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shell rm TMP/file1 TMP/file2
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shell putenv LAMMPS_POTENTIALS=../../potentials
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shell my_setup file1 10 file2
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shell my_post_process 100 dump.out
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Description
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"""""""""""
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Execute a shell command. A few simple file-based shell commands are
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supported directly, in Unix-style syntax. Any command not listed
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above is passed as-is to the C-library system() call, which invokes
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the command in a shell.
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This is means to invoke other commands from your input script. For
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example, you can move files around in preparation for the next section
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of the input script. Or you can run a program that pre-processes data
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for input into LAMMPS. Or you can run a program that post-processes
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LAMMPS output data.
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With the exception of *cd*\ , all commands, including ones invoked via a
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system() call, are executed by only a single processor, so that
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files/directories are not being manipulated by multiple processors.
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The *cd* cmd executes the Unix "cd" command to change the working
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directory. All subsequent LAMMPS commands that read/write files will
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use the new directory. All processors execute this command.
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The *mkdir* cmd executes the Unix "mkdir" command to create one or
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more directories.
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The *mv* cmd executes the Unix "mv" command to rename a file and/or
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move it to a new directory.
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The *rm* cmd executes the Unix "rm" command to remove one or more
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files.
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The *rmdir* cmd executes the Unix "rmdir" command to remove one or
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more directories. A directory must be empty to be successfully
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removed.
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The *putenv* cmd defines or updates an environment variable directly.
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Since this command does not pass through the shell, no shell variable
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expansion or globbing is performed, only the usual substitution for
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LAMMPS variables defined with the :doc:`variable <variable>` command is
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performed. The resulting string is then used literally.
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Any other cmd is passed as-is to the shell along with its arguments as
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one string, invoked by the C-library system() call. For example,
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these lines in your input script:
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.. parsed-literal::
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variable n equal 10
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variable foo string file2
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shell my_setup file1 $n ${foo}
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would be the same as invoking
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.. parsed-literal::
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% my_setup file1 10 file2
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from a command-line prompt. The executable program "my\_setup" is run
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with 3 arguments: file1 10 file2.
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Restrictions
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""""""""""""
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LAMMPS does not detect errors or print warnings when any of these
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commands execute. E.g. if the specified directory does not exist,
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executing the *cd* command will silently do nothing.
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**Related commands:** none
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**Default:** none
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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