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Merge pull request #37 from evenmn/docs2
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Fixed cross-references
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evenmn authored Aug 23, 2023
2 parents 3faeaa5 + 48f21fb commit cf30fb5
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2 changes: 1 addition & 1 deletion docs/source/args.rst
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Expand Up @@ -9,7 +9,7 @@ When launching a LAMMPS simulation, the general command
mpirun <mpi_args> <lmp_exec> <lmp_args>
is executed. :code:`mpi_args` usually contains the flag :code:`-n <num_procs>`, and :code:`-hostfile hostfile` is added if :code:`activate_virtual=True` (see `activate virtual cores`_). For the LAMMPS command line arguments :code:`lmp_args`, the flag :code:`-in <lmp_exec>` is always included, with :code:`lmp_exec` being the LAMMPS executable. How to pass custom MPI and LAMMPS arguments is described below.
is executed. :code:`mpi_args` usually contains the flag :code:`-n <num_procs>`, and :code:`-hostfile hostfile` is added if :code:`activate_virtual=True` (see :ref:`activate virtual cores`). For the LAMMPS command line arguments :code:`lmp_args`, the flag :code:`-in <lmp_exec>` is always included, with :code:`lmp_exec` being the LAMMPS executable. How to pass custom MPI and LAMMPS arguments is described below.


MPI arguments
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2 changes: 1 addition & 1 deletion docs/source/installation.rst
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Expand Up @@ -20,5 +20,5 @@ Prerequisites

1. Python 3.3+ (subprocess.DEVNULL from 3.3 needed)
2. `NumPy <https://numpy.org>`_
3. `LAMMPS (any recent version) <https://lammps.sandia.gov>_
3. `LAMMPS (any recent version) <https://lammps.sandia.gov>`_

4 changes: 2 additions & 2 deletions docs/source/runscript.rst
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Expand Up @@ -23,7 +23,7 @@ Sometimes it can be useful to define a :code:`Device` object, especially when ru
device = CPU(num_procs=4, lmp_exec="lmp")
sim.run(device=device)
Other devices include :code:`GPU` (run LAMMPS with the :code:`GPU` or :code:`KOKKOS` package), :code:`SlurmCPU` (submit LAMMPS CPU jobs to Slurm) and :code:`SlurmGPU` (submit LAMMPS GPU jobs to Slurm). The Slurm support is further described in the `Slurm`_-section.
Other devices include :code:`GPU` (run LAMMPS with the :code:`GPU` or :code:`KOKKOS` package), :code:`SlurmCPU` (submit LAMMPS CPU jobs to Slurm) and :code:`SlurmGPU` (submit LAMMPS GPU jobs to Slurm). The Slurm support is further described in the :ref:`Slurm`-section.

.. _activate virtual cores:

Expand Down Expand Up @@ -52,4 +52,4 @@ By doing this, a simulation can be run both on the physical and the virtual core
sim.set_input_script("script.in")
sim.run(num_procs=4, lmp_exec="lmp", activate_virtual=True)
For more information about MPI command line arguments, see `command line arguments`_.
For more information about MPI command line arguments, see :ref:`command line arguments`.

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