====== LAMMPS - atomistica ======

**NEW**: https://github.com/Atomistica/atomistica/blob/master/README.LAMMPS.md

You can also find a special version (20150516) of lammps extended by the "interatomic potentials" module ''**atomistica**''.
It can **only** be used with **MPI** (''**module load mpi/openmpi-x86_64**'').
<code bash>
lmp_all
</code>

== Convert result dummps ==

[[http://li.mit.edu/Archive/Graphics/A/]]

Some Linux machines give semi-transparent Atomeye windows. This is the same behavior like in Abaqus.

<code bash>
export XLIB_SKIP_ARGB_VISUALS=1 
/usr/net/bin/AtomicEye2
</code>

There is a 64Bit Executable with OpenMP available
<code bash>
/usr/net/bin/AtomicEye3
</code>

=== HDF5 in Lammps ===
[[http://pdebuyl.be/blog/2014/using-h5md-in-lammps.html]]

==== HPC/woody ====

We use the Intel compiler and the Intel MKL (Blas) library.


<code bash>
module load mkl/11.2up02
module load intel64/15.0up02
module load openmpi/1.7.2-intel13.1
</code>

<code bash>
make lammps_factories
make atomistica
</code>