Installation in Ubuntu

In the following a quick step-by-step guide how to download and install HALMD in Ubuntu will be given.

Ubuntu 14.04 LTS

Prepare installation

First, make sure you have all required packages installed:

sudo apt-get install git build-essential libluajit-5.1-dev zlib1g-dev wget nvidia-cuda-toolkit

Clone the HALMD source code repository:

git clone --recursive

Build and install prerequisites

Then you will have to build boost from source using examples/

mkdir halmd-prerequisites
cd halmd-prerequisites
nice make CONCURRENCY_LEVEL=4 -f ../halmd/examples/ install-boost install-hdf5 install-cmake

This step is required as using the according packages from the Ubuntu repository will not work—all these packages need special build options not provided in the official packages. Note that this installation will require some time but you need to do this only once. A more detailed description of the package installation can be found in Automatic installation.

After executing the above commands, the necessary packages will be installed in ~/opt. In order to make these packages available for the subsequent build tools, run

source <(make -f ../halmd/examples/ env-boost env-hdf5 env-cmake)

Alternatively, you may append the output to your ~/.bashrc. You can verify that everything went well by running cmake --version which should output something like cmake version with native CUDA support (the important part is with native CUDA support).

Build and install HALMD

Now, we can start building HALMD. First, create a build directory (this can be anywhere, for convenience we create it in our home directory) and then run cmake to generate the necessary Makefiles

mkdir ~/halmd-build && cd ~/halmd-build
cmake ~/halmd -DCMAKE_INSTALL_DIRECTORY=~/opt/halmd/

There may be warnings now about missing packages (e.g. Sphinx) but this is not essential now as it is only required to build the manual page. If you are building with CUDA support, make sure that the CUDA compiler has been detected and works. If there was a problem and you were able to fix this, it may be necessary to remove the build directory completely and rerun cmake ~/halmd afterwards.

You are now ready to build HALMD. Execute

nice make -j4

and the build process will start.


The build process is very memory hungry, consider reducing the number of parallel builds to a lower number (i.e. use -j2 instead of -j4 if you want 2 parallel builds) if you experience problems.

If successful, you can run ./halmd/halmd --version from the build directory and this should give you simple version information about HALMD.

If you want to install HALMD, simply run make install from the build directory. In order to be able to run halmd from everywhere, run

echo "export PATH=\"${HOME}/opt/halmd/bin\${PATH+:\$PATH}\"" >> ~/.bashrc

and log out and in again.

You can test now a simple example by running

halmd ~/opt/halmd/share/doc/halmd/examples/liquid/lennard_jones_equilibration.lua -v

You may now clean-up the build directories halmd-prerequisites and halmd-build.