diff --git a/docs/source/lammps.rst b/docs/source/lammps.rst index 011f9e7..e2808c9 100644 --- a/docs/source/lammps.rst +++ b/docs/source/lammps.rst @@ -53,7 +53,7 @@ Then, from the ``src/`` folder, type: Run LAMMPS ---------- -Create a bash (``.sh``) file with the following content: +Create a bash file named *sub.sh* with the following content: .. code-block:: bash @@ -69,15 +69,15 @@ Create a bash (``.sh``) file with the following content: mpirun -np 4 ${lmp} -in input.lmp -where ``input.lmp`` is your LAMMPS input file, and there the project was assumed +where ``input.lmp`` is your LAMMPS input file, and where the project was assumed to be `tamtam` (to adapt to your case). Here, 4 CPU cores are requested, as well as a total duration of 12 hours. Then, make the file file executable with chmod and launch it using: .. code-block:: bash - chmod +x ./myfile.sh - oarsub -S ./myfile.sh + chmod +x ./sub.sh + oarsub -S ./sub.sh Launch multiple jobs using bash _______________________________