Instructions for using the Makefile provided. --------------------------------------------- There is a Makefile for use on Linux and Mac, and an NMakefile for use with Microsoft's "nmake" program. For Fortran, the Makefile expects gfortran to be in the path while NMakefile expects "ifort" (Intel Fortran). You must already have the OpenMM binaries installed from SimTK.org/home/OpenMM. Pay careful attention to the installation instructions -- if you are hoping to get GPU acceleration you may also have to install appropriate vendor libraries and a driver. You may need to slightly edit the Makefile or NMakefile to make it run on your system, depending where you installed OpenMM and the particular requirements of your compiler versions for mixed Fortran/C++ programming. Type "make" (or "make default") to get just one C++ example built (HelloArgon). Make sure it runs. To compile all example programs type "make all". That includes Fortran examples though so you will see failures unless you have gfortran installed (Linux and Mac) or ifort installed (Windows). However, the C++ and C examples should compile with just g++ or cl. To build just one example, type "make HelloArgonInC" or whatever. Before you run the executables, remember to add the OpenMM dynamic library directory to your library path. The simplest way to do this is to type the following commands: For linux (for the bash shell, assuming installation was done in the default location: /usr/local/openmm): $ export LD_LIBRARY_PATH=/usr/local/openmm/lib For MAC (for the bash shell, assuming installation was done in the default location: /usr/local/openmm): $ export DYLD_LIBRARY_PATH=/usr/local/openmm/lib For Windows (command tool, assuming installation was done in the default location: C:/Program Files/OpenMM): C:\> set path=%path%;C:\Program Files\OpenMM\lib