# Lammps on BC4

## 1. Clone lammps from github to BC4:

git clone -b stable https://github.com/lammps/lammps.git mylammps

This will create a directory called mylammps with all of the lammps source code in it.

## 2. Load required modules

Before building lammps you may need to load up some modules if you have not done so already, the relevant ones for this are:

- languages/gcc/9.3.0
- tools/cmake/3.20.0
- module load OpenMPI/3.0.0-GCC-7.2.0-2.29

The first two you need to build LAMMPS. Open MPI can be added in your shell submission script. These are added using:

module add languages/gcc/9.3.0

## 3. Build LAMMPS

There are two options for this: make and cmake. I prefer make but I have done both so I will explain both methods in case you have a preference.

### make

Move into the source directory :

cd mylammps/src/

add any modules you'd like included in the build (for example the dipole package)

make yes-dipole

Build lammps executables: both the serial and mpi versions.

make serial

make mpi

These can then be added to your path and used as normal.

### cmake
set up the build directory:

cd mylammps
mkdir build
cd build

Add lammps packaged (eg. the dipole package)

 cmake -D PKG_DIPOLE=on ../cmake

Now build:

 cmake --build .

- This will create the `lmp` executable in the `mylammps/build` directory. You can install this executable to your system with:

 make install