% Installation guide for GROMACS @PROJECT_VERSION@
-# Building GROMACS #
+# Introduction to building GROMACS #
These instructions pertain to building GROMACS
@PROJECT_VERSION@. Up-to-date installation instructions may be found
at <http://www.gromacs.org/Documentation/Installation_Instructions>.
-# Quick and dirty installation #
+## Quick and dirty installation ##
1. Get the latest version of your C and C++ compilers.
2. Check that you have CMake version @GMX_CMAKE_MINIMUM_REQUIRED_VERSION@ or later.
hardware, libraries, and compilers are only going to continue to get
more complex.
-# Typical GROMACS installation #
+## Typical GROMACS installation ##
As above, and with further details below, but you should consider
using the following [CMake options](#using-cmake-command-line-options) with the
* `-DGMX_FFT_LIBRARY=xxx` to select whether to use `fftw`, `mkl` or `fftpack` libraries for [FFT support](#fast-fourier-transform-library)
* `-DCMAKE_BUILD_TYPE=Debug` to build GROMACS in debug mode
-# Building older GROMACS versions #
+## Building older GROMACS versions ##
For installation instructions for old GROMACS versions, see the
documentation at
transforms, and a software library to perform these is always
required. We recommend [FFTW](http://www.fftw.org) (version 3 or
higher only) or
-[Intel MKL](http://software.intel.com/en-us/intel-mkl). The choice of
+[Intel MKL](https://software.intel.com/en-us/intel-mkl). The choice of
library can be set with `cmake -DGMX_FFT_LIBRARY=<name>`, where
`<name>` is one of `fftw`, `mkl`, or `fftpack`. FFTPACK is bundled
with GROMACS as a fallback, and is acceptable if mdrun performance is
`share/man/`
: Installed man pages go here.
-## Building GROMACS ##
+## Compiling and linking ##
-Once you have configured with `cmake`, you can build GROMACS. It is
-expected that the `make` procedure will always complete successfully,
-and give few or no warnings. The tests GROMACS makes on the settings
+Once you have configured with `cmake`, you can build GROMACS with `make`.
+It is expected that this will always complete successfully, and
+give few or no warnings. The CMake-time tests GROMACS makes on the settings
you choose are pretty extensive, but there are probably a few cases we
have not thought of yet. Search the web first for solutions to
problems, but if you need help, ask on gmx-users, being sure to
If you have a multi-core or multi-CPU machine with `N`
processors, then using
+
$ make -j N
+
will generally speed things up by quite a bit. Other build generator systems
supported by `cmake` (e.g. `ninja`) also work well.