By downloading the ls1 mardyn source code from this website, you have understood to accept the terms of the ls1 mardyn license (BSD two-clause license). Please cite the work of Niethammer et al. (2014), J. Chem. Theory Comput. 10: 4455, in all publications containing the results of MD simulations with the ls1 mardyn program.

Github

The code of ls1 mardyn is being developed as open source on GitHub.

 Version used for most recent world record (WR 2017) of largest MD simulation

• WR_2017-Release.tar.gz (39.0 MB)

This revision of the ls1 mardyn software comprises several extensions, including a redesign of the SIMD vectorization via wrappers, MPI improvements for better strong scalability and a software redesign to allow memory-efficient execution with the production trunk, as well as two novel OpenMP traversal schemes. Details on the software extensions and the performance results can be found in journals.sagepub.com/doi/10.1177/1094342018819741

 Source code of ls1 mardyn (present stable release)

• Release 1.1.1 (dated 3rd February 2016), tar.bz2 archive (16.6 MB)

As a new major feature, this release contains an efficient long-range correction at planar interfaces which facilitates reliable simulations of the surface tension for molecular fluids.

 Previous releases of ls1 mardyn

• Release 1.1 (dated 10th August 2015), tar.bz2 archive (16.5 MB)

• Release 1.0 (dated 19th August 2014), tar.bz2 archive (15.7 MB)

The development team can be contacted via the ls1 mardyn contact point at the University of Kaiserslautern.