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Axel Kohlmeyer
2020-04-28 17:03:20 -04:00
parent 3392dca7b8
commit c6dc0cf8c5
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doc/src/Install_linux.rst
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@ -39,7 +39,7 @@ To install LAMMPS do the following once:
$ sudo apt-get install lammps-daily
This downloads an executable named "lmp_daily" to your box, which
This downloads an executable named ``lmp_daily`` to your box, which
can then be used in the usual way to run input scripts:
.. code-block:: bash
@ -61,18 +61,17 @@ To get a copy of the current documentation and examples:
$ sudo apt-get install lammps-daily-doc
which will download the doc files in
/usr/share/doc/lammps-daily-doc/doc and example problems in
/usr/share/doc/lammps-doc/examples.
``/usr/share/doc/lammps-daily-doc/doc`` and example problems in
``/usr/share/doc/lammps-doc/examples``.
To get a copy of the current potentials files
To un-install LAMMPS, do the following:
To get a copy of the current potentials files:
.. code-block:: bash
$ sudo apt-get install lammps-daily-data
which will download the potentials files in
/usr/share/lammps-daily/potentials.
which will download the potentials files to
``/usr/share/lammps-daily/potentials``
The LAMMPS binary is built with the :ref:`KIM package <kim>` which
results in the above command also installing the `kim-api` binaries when LAMMPS
@ -89,7 +88,7 @@ To un-install LAMMPS, do the following:
$ sudo apt-get remove lammps-daily
Please use "lmp_daily -help" to see which compilation options, packages,
Please use ``lmp_daily -help`` to see which compilation options, packages,
and styles are included in the binary.
Thanks to Anton Gladky (gladky.anton at gmail.com) for setting up this
@ -111,14 +110,14 @@ linking to the C library interface (lammps-devel, lammps-mpich-devel,
lammps-openmpi-devel), the header for compiling programs using
the C library interface (lammps-headers), and the LAMMPS python
module for Python 3. All packages can be installed at the same
time and the name of the LAMMPS executable is *lmp* and *lmp_openmpi*
or *lmp_mpich* respectively. By default, *lmp* will refer to the
time and the name of the LAMMPS executable is ``lmp`` and ``lmp_openmpi``
or ``lmp_mpich`` respectively. By default, ``lmp`` will refer to the
serial executable, unless one of the MPI environment modules is loaded
("module load mpi/mpich-x86_64" or "module load mpi/openmpi-x86_64").
(``module load mpi/mpich-x86_64`` or ``module load mpi/openmpi-x86_64``).
Then the corresponding parallel LAMMPS executable can be used.
The same mechanism applies when loading the LAMMPS python module.
To install LAMMPS with OpenMPI and run an input in.lj with 2 CPUs do:
To install LAMMPS with OpenMPI and run an input ``in.lj`` with 2 CPUs do:
.. code-block:: bash
@ -126,10 +125,10 @@ To install LAMMPS with OpenMPI and run an input in.lj with 2 CPUs do:
$ module load mpi/openmpi-x86_64
$ mpirun -np 2 lmp -in in.lj
The "dnf install" command is needed only once. In case of a new LAMMPS
stable release, "dnf update" will automatically update to the newer
The ``dnf install`` command is needed only once. In case of a new LAMMPS
stable release, ``dnf update`` will automatically update to the newer
version as soon at the RPM files are built and uploaded to the download
mirrors. The "module load" command is needed once per (shell) session
mirrors. The ``module load`` command is needed once per (shell) session
or shell terminal instance, unless it is automatically loaded from the
shell profile.
@ -142,7 +141,7 @@ can install the `openkim-models` package
$ dnf install openkim-models
Please use "lmp -help" to see which compilation options, packages,
Please use ``lmp -help`` to see which compilation options, packages,
and styles are included in the binary.
Thanks to Christoph Junghans (LANL) for making LAMMPS available in Fedora.
@ -161,10 +160,10 @@ in the `Extra Packages for Enterprise Linux (EPEL) repository <https://fedorapro
for use with Red Hat Enterprise Linux (RHEL) or CentOS version 7.x
and compatible Linux distributions. Names of packages, executable,
and content are the same as described above for Fedora Linux.
But RHEL/CentOS 7.x uses the "yum" package manager instead of "dnf"
But RHEL/CentOS 7.x uses the ``yum`` package manager instead of ``dnf``
in Fedora 28.
Please use "lmp -help" to see which compilation options, packages,
Please use ``lmp -help`` to see which compilation options, packages,
and styles are included in the binary.
Thanks to Christoph Junghans (LANL) for making LAMMPS available in EPEL.
@ -184,13 +183,13 @@ in OpenSuse as of Leap 15.0. You can install the package with:
$ zypper install lammps
This includes support for OpenMPI. The name of the LAMMPS executable
is *lmp*\ . Thus to run an input in parallel on 2 CPUs you would do:
is ``lmp``. Thus to run an input in parallel on 2 CPUs you would do:
.. code-block:: bash
$ mpirun -np 2 lmp -in in.lj
Please use "lmp -help" to see which compilation options, packages,
Please use ``lmp -help`` to see which compilation options, packages,
and styles are included in the binary.
The LAMMPS binary is built with the :ref:`KIM package <kim>` which