small tweak

This commit is contained in:
Axel Kohlmeyer
2021-09-27 17:13:32 -04:00
parent 9c4a82f286
commit 913ce25a01

View File

@ -3,11 +3,12 @@ Basics of running LAMMPS
LAMMPS is run from the command line, reading commands from a file via
the -in command line flag, or from standard input. Using the "-in
in.file" variant is recommended. The name of the LAMMPS executable is
either ``lmp`` or ``lmp_<machine>`` with `<machine>` being the machine
string used when compiling LAMMPS. This is required when compiling
LAMMPS with the traditional build system (e.g. with ``make mpi``),
but optional when using CMake to configure and build LAMMPS:
in.file" variant is recommended (see note below). The name of the
LAMMPS executable is either ``lmp`` or ``lmp_<machine>`` with
`<machine>` being the machine string used when compiling LAMMPS. This
is required when compiling LAMMPS with the traditional build system
(e.g. with ``make mpi``), but optional when using CMake to configure and
build LAMMPS:
.. code-block:: bash
@ -17,9 +18,9 @@ but optional when using CMake to configure and build LAMMPS:
$ lmp < in.file
$ /path/to/lammps/src/lmp_serial -i in.file
$ mpirun -np 4 lmp_mpi -in in.file
$ mpirun -np 4 lmp -in in.file
$ mpiexec -np 4 lmp -in in.file
$ mpirun -np 8 /path/to/lammps/src/lmp_mpi -in in.file
$ mpirun -np 6 /usr/local/bin/lmp -in in.file
$ mpiexec -n 6 /usr/local/bin/lmp -in in.file
You normally run the LAMMPS command in the directory where your input
script is located. That is also where output files are produced by
@ -30,7 +31,7 @@ executable itself can be placed elsewhere.
.. note::
The redirection operator "<" will not always work when running
in parallel with mpirun; for those systems the -in form is required.
in parallel with mpirun or mpiexec; for those systems the -in form is required.
As LAMMPS runs it prints info to the screen and a logfile named
*log.lammps*\ . More info about output is given on the