Dispersion GUI mode - two analyses

To process this test data, two separate analyses will be performed:

• The first analysis will consists of treating all spins independently from each other. This will use model selection to determine if any statistically significant relaxation dispersion is present by comparing to the `No Rex' dispersion model.
• The second analysis will consists of clustering spins with similar kinetics and thermodynamics parameters (exchange rates and populations respectively) and optimising these clusters using a common set of exchange parameters.

In this example, Gary Thompson's multiprocessor framework (see section 11.9.11 on page ) will be used with OpenMPI on a single four-core, hyper-threaded computer with the command:

$ mpirun -np 8 /data/relax/relax-trunk/relax -multi='mpi4py' -log ∼/tmp/dispersion/log_non_clustered -gui

Note that the ∼/tmp/dispersion directory should be created before starting relax. If running on a system where your home directory is not defined as ∼/, MS Windows for example, the ∼ part will need to be replaced with some other directory. A different command will be used for the clustered analysis to store the log messages in a separate file. The two logs will be used to compare the two analysis types at the end.