ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

be more specific about what the name of the LAMMPS executable can be

Browse Source 
also provide a few more examples without a machine suffix
This commit is contained in:
Axel Kohlmeyer
2021-09-27 16:50:25 -04:00
parent 9dbd5bb27d
commit 9c4a82f286
1 changed files with 9 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

11
doc/src/Run_basics.rst
View File

@ -2,15 +2,22 @@ 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 -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:
.. code-block:: bash
$ lmp_serial -in in.file
$ lmp_serial < in.file
$ lmp -in in.file
$ 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
$ mpirun -np 8 /path/to/lammps/src/lmp_mpi -in in.file
$ mpirun -np 6 /usr/local/bin/lmp -in in.file