Complete source code and samples:

Download OpenMD

MD5sum: 4ffa3c5a9159921bb930db138546268b
SHA256: 41ff6f7d9ef86baea9226ddb00bcddfbf16c11b99493aa1fbe524ed552305ace
rmd160: d0d367edf3410c183f38e3ae1b0bf364de86ae16

Alternatively you can use svn to get a copy of the bleeding edge version of OpenMD:

svn co openmd-latest

be warned that bleeding edge versions may not run (or even compile), and almost certainly haven’t been tested.


You can use our tutorial for installing the rerequisites for OpenMD.   If you are going it alone, and have some experience building and installing unix software, you’ll need:

  1. A good C++ compiler. We build and test OpenMD on the following architecture & compiler combinations:
    Architecture CXX Notes
    Mac OS X 10.10 (intel) c++ (Apple LLVM 6.0, Open MPI 1.7.5, MPICH 3.1.2)
    Mac OS X 10.10 (intel) g++ (GNU v.4.8.3)
    Mac OS X 10.10 (intel) icpc (Intel v. 14.0.2)
    Linux (Ubuntu 13.10 – Intel x86_64) g++ (GNU v. 4.8.1, Open MPI 1.4.5)
    Linux (RHEL 6.6 – AMD x86_64) icpc (Intel v. 14.0, Open MPI 1.6.5)
    Linux (RHEL 6.6 – AMD x86_64) pgCC (Portland Group v. 12.3, Open MPI 1.6.3)

    OpenMD uses features in the standard template library (STL).  Most (but not all) C++ compilers support these features.

  2. CMake, a cross-platform build system. Most Linux and some Unix distributions provide CMake as a standard package. If not, please download it, and make sure you get a recent version. Mac OS X users can either download the CMake installer or install it from the command line using macports.
  3. An implementation of MPI-2 is optional for the single processor version of OpenMD, but is required if you want OpenMD to run in parallel. We like OpenMPI. Other implementations of MPI-2 also work, but we don’t test them as extensively.
  4. Other optional (but quite useful) libraries that will unlock some features of OpenMD: Open BabelQhullFFTWDoxygen
  5. Some of the utility scripts depend on Python and Perl. These interpreters are common installations on most flavors of Unix and Mac OS X.

Building OpenMD

Once you’ve got all the prerequisites installed and working, you can follow our tutorial on building and installing OpenMD.