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Roskilde University Molecular Dynamics package

Download

The recent versions of RUMD can be downloaded here

Version number Download Release date
3.6 rumd_3.6.tar.xz 2022-08-030
3.5 rumd_3.5.tar.xz 2020-04-09
3.4 rumd_3.4.tar.xz 2019-05-21
3.3 rumd_3.3.tar.xz 2017-07-21
3.2 rumd_3.2.tar.xz 2016-06-02
3.1 rumd_3.1.tar.xz 2016-04-27
3.0 rumd_3.0.tar.gz 2015-03-16
2.1.2 rumd_2.1.2.tar.gz 2015-02-16
2.1.1 rumd_2.1.1.tar.gz 2014-06-03
2.1 rumd_2.1.tar.gz 2013-12-09
2.0.2 rumd_2.0.2.tar.gz 2013-09-12
2.0.1 rumd_2.0.1.tar.gz 2013-06-04
2.0 rumd_2.0.tar.gz 2013-05-31
1.2.2 rumd_1.2.2.tar.gz 2012-06-28
1.2.1 rumd_1.2.1.tar.gz 2012-05-09
1.2 rumd_1.2.tar.gz 2012-01-14
(fixed 19/3-2012)
1.1.1 rumd_1.1.1.tar.gz 2011-12-16
1.1 rumd_1.1.tar.gz 2011-07-05
1.0 rumd_1.0.tar.gz 2011-05-16
0.10.0 rumd_0.10.0.tar.gz 2011-04-17
0.9.1 rumd_0.9.1.tar.gz 2010-09-04
0.9.0 rumd_0.9.0.tar.gz 2010-07-02

The easy way: Installation from repository:

For Debian11-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 /etc/apt/sources.list.d/rumd.list

deb [trusted=yes arch=amd64] http://rumd.org/rumd bullseye main
deb-src [trusted=yes arch=amd64] http://rumd.org/rumd bullseye main

Notice: repository was moved from debian.ruc.dk to rumd.org on 2018-09-10
After adding the repository, update the package lists by:

apt update

Install the binary packages:

apt install rumd python3-rumd rumd-doc

You can also get the source from the repository:

apt source rumd

This will download and unpack the source so it is ready to be rebuilt as a package on your platform.

The harder way: Build RUMD from source

To build from the source you need
  1. The GNU Make utility
  2. gcc/g++ version 10 or maybe newer
  3. The NVIDIA CUDA library version 10 or newer
  4. Python version 3.9
  5. Numpy
  7. zlib
  8. Boost C++ library 1.67 or newer
  9. Swig version 4.0 or newer
To fully benefit from the post-analysis programs, we also recommend that you have
  1. GNU Octave
  2. grace
  3. vmd
  4. povray
  5. gnuplot
To install you need to
  1. Download the source
  2. Unpack the compressed archive by

    tar xJvf rumd_3.6.tar.xz

  3. Build the software by

    cd rumd-3.6
    make

  4. To test your installation type

    make test