From 9c4a82f2864e56a7c6cc0c1d33c8a8842a558adb Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 27 Sep 2021 16:50:25 -0400 Subject: [PATCH] be more specific about what the name of the LAMMPS executable can be also provide a few more examples without a machine suffix --- doc/src/Run_basics.rst | 11 +++++++++-- 1 file changed, 9 insertions(+), 2 deletions(-) diff --git a/doc/src/Run_basics.rst b/doc/src/Run_basics.rst index 3d57633df2..bd8cbc6d2d 100644 --- a/doc/src/Run_basics.rst +++ b/doc/src/Run_basics.rst @@ -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_`` with `` 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