OpenMD

Complete source code and samples:

openmd-1.0.1.tar.gz

MD5sum: 81b8d649e2f958053b4a3018dfd26b30

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. Good C, C++ and Fortran95 compilers. We build and test OpenMD on the following architecture & compiler combinations:
   

   Architecture	CC	CXX	FC	Notes
   Linux (Fedora 12 – i686)	icc	icpc	ifort	(Intel v. 11)
   Mac OS X 10.6 (intel)	gcc	g++	gfortran	(GNU v.4.3)
   Mac OS X 10.6 (intel)	icc	icpc	ifort	(Intel v. 11)
   Linux (RHEL 5.4 – AMD x86_64)	pathcc	pathCC	pathf95	(Pathscale 3.2)

   OpenMD uses features of the Fortran 95 language. The fortran portions of our code will not compile if your compiler does not support these particular features. Some (but not all) Fortran 90 compilers do support these features. Compilers that are known to work on OpenMD include: Intel’s ifort, Pathscale’s pathf95, IBM’s xlf95, Portland’s pgf95 (version 6 or higher), Sun’s f95. There may be others that work as well.

2. GNU make (also known as gmake). Regular make won’t work. If you are using Linux or MacOS X, you probably already have this.
3. Perl. You probably already have this.
4. An implementation of MPI-2 is required if you want OpenMD to run in parallel. We like OpenMPI. Other implementations of MPI-2 might work, but we haven’t tried.

Building OpenMD

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