SpeedCHEM compilation instructions

The SpeedCHEM library can be compiled with most Fortran 2003-compliant compiler. Most of the code development has been done using gfortran, the Fortran frontend of the GNU suite of compilers. The current most stable version, 4.8.0, has all the modern Fortran features required by the most recent version of the library. SpeedCHEM v1.0 has been successfully compiled also with Intel Fortran 9.1. The library also requires an implementation of the MPI communication protocol to be available and linked during compilation.

Compiling the code under Windows environments [tested with Windows 7 x64]

1. First of all, you will need a build of the GCC compiler suite for windows. Equation solutions has a nice Windows install package containing the latest builds. Download the latest stable version compatible with your sistem (Self-Extracting File) and install it. As an alternative, the GCC suite may also be obtained through Cygwin.

2. Add the GCC binary folder to your PATH environment variable:

Click "Start" > right-click on "Computer" > "Properties" > "Advanced system settings" > "Environment Variables";

Then, "Edit" the variable named PATH under "System variables" and append the path to your GCC build, e.g. by adding a string similar to the following:


To check the correctness of your installation, you may just open a command prompt and run:

C:\>gfortran --version

If you are able to see the gfortran version header, your installation is OK:

GNU Fortran (GCC) 4.8.0 20130120 (experimental)
Copyright (C) 2013 Free Software Foundation, Inc.

GNU Fortran comes with NO WARRANTY, to the extent permitted by law.
You may redistribute copies of GNU Fortran
under the terms of the GNU General Public License.
For more information about these matters, see the file named COPYING

3. Install the MPI distribution. Open the download page on MPICH2 website and download the most recent release for Windows (currently, under Unofficial Binary packages, version 1.4.1p1). Install in C:\MPICH2 if you do not want to modify the included makefiles.

4. You will need a suite of Unix-style commands to have everything working. I find UnixUtils very useful. Extract the zip and add the location to your PATH variable, as done in point 1., or to a folder that is already in the path (e.g., gcc\bin).

5. Enjoy! Compile the library and the included constant-volume application, and you are all set: