Compiling NAMD

To compile NAMD for a particular machine, follow these steps:

1.

Obtain the latest release of Charm from http://charm.cs.uiuc.edu/ and compile it for the platforms you wish to use.

2.

Edit Make.charm so that the CHARMBASE variable points to the top directory of your Charm installation.

3.

The arch directory contains files of the form Makearch.<architecture>. Find the file which is closest to the platform you wish to compile for and edit it. You may need to alter some of the following:

• CXX - C++ compiler
• CXXOPTS - C++ compiler options
• CC - C compiler
• COPTS - C compiler options
• CHARMARCH - Charm architecture name
• TCL... - definitions for Tcl installation (optional)
• MDCOMM... - definitions for MDComm installation (very optional)

4.

In the main directory run ../config <architecture> which will create a new build subdirectory <architecture>. You only need to repeat this step if you add new source files.

5.

Change to this new directory and type make.