To process this test data, two separate analyses will be performed:
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.
The relax user manual (PDF), created 2020-08-26.