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Roskilde University Molecular Dynamics package

Download

The recent versions of RUMD can be downloaded here

Version number Download Release date
3.3 rumd_3.3.tar.xz 21/07-2017
3.2 rumd_3.2.tar.xz 02/06-2016
3.1 rumd_3.1.tar.xz 27/04-2016
3.0 rumd_3.0.tar.gz 16/03-2015
2.1.2 rumd_2.1.2.tar.gz 16/02-2015
2.1.1 rumd_2.1.1.tar.gz 23/06-2014
2.1 rumd_2.1.tar.gz 09/12-2013
2.0.2 rumd_2.0.2.tar.gz 12/09-2013
2.0.1 rumd_2.0.1.tar.gz 04/06-2013
2.0 rumd_2.0.tar.gz 31/05-2013
1.2.2 rumd_1.2.2.tar.gz 28/06-2012
1.2.1 rumd_1.2.1.tar.gz 29/05-2012
1.2 rumd_1.2.tar.gz 14/01-2012
(fixed 19/3-2012)
1.1.1 rumd_1.1.1.tar.gz 16/12-2011
1.1 rumd_1.1.tar.gz 05/07-2011
1.0 rumd_1.0.tar.gz 16/05-2011
0.10.0 rumd_0.10.0.tar.gz 17/04-2011
0.9.1 rumd_0.9.1.tar.gz 24/09-2010
0.9.0 rumd_0.9.0.tar.gz 02/07-2010

The easy way: Installation from repository

For Debian-like amd64 systems, RUMD can be installed as a package. Use the following repository entries appended to

/etc/apt/sources.list

or in a file in /etc/apt/sources.list.d/

deb http://debian.ruc.dk/rumd stretch main
deb-src http://debian.ruc.dk/rumd stretch main

Install with the equivalent of

apt-get install rumd python-rumd rumd-doc

You can also get the source from the repository

apt-get source rumd

The hard way: Build RUMD from source

To build from the source you need
  1. The GNU Make utility
  2. gcc/g++ version 4.7 or newer
  3. The NVIDIA CUDA library version 5.0 or newer
  4. Python version 2.7
  5. zlib
  6. tcsh or c-shell
  7. Boost C++ library 1.49 or newer
  8. Swig version 2.0 or newer
To fully benefit from the post-analysis programs, we also recommend that you have
  1. GNU Octave
  2. grace
  3. vmd
To install you need to
  1. Download the source
  2. Unpack the compressed archieve by

    tar xJvf rumd_3.3.tar.xz

  3. Build the software by

    cd rumd-3.3
    make

  4. To test your installation type

    make test