Update traditional make info and synchronize information provided with CMake version
This commit is contained in:
Axel Kohlmeyer
@ -86,12 +86,20 @@ options and settings will be printed at the end. The ``cmake --build
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ultimately produce a library ``liblammps.a`` and the LAMMPS executable
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``lmp`` inside the ``build`` folder.
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If your machine has multiple CPU cores (most do these days), you can
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speed this up by compiling sources in parallel with ``make -j N`` (with
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N being the maximum number of concurrently executed tasks). Also
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installation of the `ccache <https://ccache.dev/>`_ (= Compiler Cache)
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software may speed up repeated compilation significantly, e.g. during code
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development.
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Compilation can take a long time, since LAMMPS is a large project with
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many features. If your machine has multiple CPU cores (most do these
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days), you can speed this up by compiling sources in parallel with
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``make -j N`` (with N being the maximum number of concurrently executed
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tasks). Also installation of the `ccache <https://ccache.dev/>`_ (=
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Compiler Cache) software may speed up repeated compilation even more,
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e.g. during code development.
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After the initial build, whenever you edit LAMMPS source files, add
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or remove packages, change compiler flags or build options,
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you must re-compile and relink the LAMMPS executable with ``cmake --build .``.
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If the compilation fails for some reason, try running ``cmake .`` and
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then compile again. The included dependency tracking of should insure
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that only the necessary subset of files are re-compiled.
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After compilation, you may optionally install the LAMMPS executable into
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your system with:
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@ -2,10 +2,14 @@ Build LAMMPS with make
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======================
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Building LAMMPS with traditional makefiles requires that you have a
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Makefile."machine" file appropriate for your system in the src/MAKE,
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src/MAKE/MACHINES, src/MAKE/OPTIONS, or src/MAKE/MINE directory (see
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below). It can include various options for customizing your LAMMPS
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build with a number of global compilation options and features.
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``Makefile.<machine>`` file appropriate for your system in either the
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``src/MAKE``, ``src/MAKE/MACHINES``, ``src/MAKE/OPTIONS``, or
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``src/MAKE/MINE`` directory (see below). It can include various options
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for customizing your LAMMPS build with a number of global compilation
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options and features.
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Requirements
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^^^^^^^^^^^^
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Those makefiles are written for and tested with GNU make and may not
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be compatible with other make programs. In most cases, if the "make"
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@ -16,44 +20,52 @@ with :doc:`CMake <Build_cmake>`. The makefiles of the traditional
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make based build process and the scripts they are calling expect a few
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additional tools to be available and functioning.
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* a Bourne shell compatible "Unix" shell program (often this is bash)
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* a few shell utilities: ls, mv, ln, rm, grep, sed, tr, cat, touch, diff, dirname
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* python (optional, required for "make lib-XXX" in the src folder)
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* a working C/C++ compiler toolchain; on Linux these are often the GNU compilers
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* a Bourne shell compatible "Unix" shell program (often this is ``bash``)
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* a few shell utilities: ``ls``, ``mv``, ``ln``, ``rm``, ``grep``, ``sed``, ``tr``, ``cat``, ``touch``, ``diff``, ``dirname``
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* python (optional, required for ``make lib-<pkg>`` in the src folder).
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python scripts are currently tested with python 2.7 and 3.6. The procedure
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for :doc:`building the documentation <Manual_build>` requires python 3.
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To include LAMMPS packages (i.e. optional commands and styles) you
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must enable them first, as discussed on the :doc:`Build package
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<Build_package>` doc page. If a packages requires (provided or
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Getting started
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^^^^^^^^^^^^^^^
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To include LAMMPS packages (i.e. optional commands and styles) you must
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enable (or "install") them first, as discussed on the :doc:`Build
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package <Build_package>` doc page. If a packages requires (provided or
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external) libraries, you must configure and build those libraries
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**before** building LAMMPS itself and especially **before** enabling
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such a package with "make yes-<package>". Building :doc:`LAMMPS
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with CMake <Build_cmake>` can automate much of this for many types of
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such a package with ``make yes-<package>``. Building :doc:`LAMMPS with
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CMake <Build_cmake>` can automate much of this for many types of
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machines, especially workstations, desktops, and laptops, so we suggest
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you try it first when building LAMMPS in those cases.
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The commands below perform a default LAMMPS build, producing the LAMMPS
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executable lmp_serial and lmp_mpi in lammps/src:
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executable ``lmp_serial`` and ``lmp_mpi`` in ``lammps/src``:
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.. code-block:: bash
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cd lammps/src
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make serial # build a serial LAMMPS executable
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cd lammps/src # change to main LAMMPS source folder
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make serial # build a serial LAMMPS executable using GNU g++
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make mpi # build a parallel LAMMPS executable with MPI
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make # see a variety of make options
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This initial compilation can take a long time, since LAMMPS is a large
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project with many features. If your machine has multiple CPU cores
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(most do these days), using a command like "make -jN mpi" (with N =
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the number of available CPU cores) can be much faster. If you plan to
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do development on LAMMPS or need to re-compile LAMMPS repeatedly, the
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installation of the ccache (= Compiler Cache) software may speed up
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compilation even more.
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Compilation can take a long time, since LAMMPS is a large project with
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many features. If your machine has multiple CPU cores (most do these
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days), you can speed this up by compiling sources in parallel with
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``make -j N`` (with N being the maximum number of concurrently executed
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tasks). Also installation of the `ccache <https://ccache.dev/>`_ (=
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Compiler Cache) software may speed up repeated compilation even more,
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e.g. during code development.
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After the initial build, whenever you edit LAMMPS source files, or add
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or remove new files to the source directory (e.g. by installing or
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uninstalling packages), you must re-compile and relink the LAMMPS
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executable with the same "make" command. This makefiles dependencies
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should insure that only the subset of files that need to be are
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re-compiled.
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executable with the same ``make <machine>`` command. The makefile's
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dependency tracking should insure that only the necessary subset of
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files are re-compiled. If you change settings in the makefile, you have
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to recompile *everything*. To delete all objects you can use ``make
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clean-<machine>``.
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.. note::
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@ -65,13 +77,15 @@ re-compiled.
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correctly detect which parts need to be recompiled after changes
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were made to the sources.
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----------
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Customized builds and alternate makefiles
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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The lammps/src/MAKE tree contains the Makefile.machine files included
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in the LAMMPS distribution. Typing "make machine" uses
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*Makefile.machine*\ . Thus the "make serial" or "make mpi" lines above
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use Makefile.serial and Makefile.mpi, respectively. Other makefiles
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are in these directories:
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The ``src/MAKE`` directory tree contains the ``Makefile.<machine>``
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files included in the LAMMPS distribution. Typing ``make example`` uses
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``Makefile.example`` from one of those folders, if available. Thus the
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``make serial`` and ``make mpi`` lines above use
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``src/MAKE/Makefile.serial`` and ``src/MAKE/Makefile.mpi``,
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respectively. Other makefiles are in these directories:
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.. code-block:: bash
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@ -79,11 +93,16 @@ are in these directories:
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MACHINES # Makefiles for specific machines
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MINE # customized Makefiles you create (you may need to create this folder)
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Typing "make" lists all the available Makefile.machine files. A file
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with the same name can appear in multiple folders (not a good idea).
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The order the directories are searched is as follows: src/MAKE/MINE,
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src/MAKE, src/MAKE/OPTIONS, src/MAKE/MACHINES. This gives preference
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to a customized file you put in src/MAKE/MINE.
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Simply typing ``make`` lists all the available ``Makefile.<machine>``
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files with a single line description toward the end of the output. A
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file with the same name can appear in multiple folders (not a good
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idea). The order the directories are searched is as follows:
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``src/MAKE/MINE``, ``src/MAKE``, ``src/MAKE/OPTIONS``,
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``src/MAKE/MACHINES``. This gives preference to a customized file you
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put in ``src/MAKE/MINE``. If you create your own custom makefile under
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a new name, please edit the first line with the description and machine
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name, so you will not confuse yourself, when looking at the machine
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summary.
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Makefiles you may wish to try include these (some require a package
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first be installed). Many of these include specific compiler flags
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