GROMACS: Fast, Free and Flexible MD
 
 
 
Compiliation
Friday, 09 September 2005

Once GROMACS is configured it is trivial to compile it. Just type

make  

or, if you want to have a log of the build process,

make >& log  

If you have already compile the normal version of GROMACS and only want e.g. an MPI version of mdrun, you could instead use

make mdrun  

If you are using GNU make (any Linux system) and have more than one CPU you can do a parallel build by adding the option "-j N", where N is the number of build threads. It compiles amazingly fast on a 16-way SMP machine!

Otherwise - sit back and wait for the package to compile. Once it's done you might want to check the output of the make command, or at least make sure there weren't any fatal errors.

Take me to the last step!

 
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