OpenMD

Complete source code and samples:

openmd-2.0.tar.gz

MD5sum: c60566c2e41928934acbf3e886148ef0

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

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

Prerequisites

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 10.8 (intel)	c++	(Apple LLVM version 4.2)
   Mac OS X 10.8 (intel)	g++	(GNU v.4.7.3)
   Mac OS X 10.8 (intel)	icpc	(Intel v. 12.1)
   Linux (Ubuntu 13.04 – Intel x86_64)	g++	(GNU v. 4.7.3)
   Linux (RHEL 6.4 – AMD x86_64)	icpc	(Intel v. 12.1)
   Linux (RHEL 6.4 – AMD x86_64)	pgCC	(Portland Group v. 12.3)

   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 might work, but we haven’t tested them.
4. Other optional (but quite useful) libraries that will unlock some features of OpenMD: Open Babel, Qhull, FFTW, Doxygen
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.