Hi Troels, This is exactly as I would expect as the parallisation is currently at the level of the spin cluster. Therefore if you have only one cluster, using MPI will not result in any speed ups. This was mentioned in the commit message: http://thread.gmane.org/gmane.science.nmr.relax.scm/18737 I am currently considering how to implement an additional parallisiation at the Monte Carlo simulation level. My idea is to have the multi-processor box singleton used in the minimise user function backend, specifically in the pipe_control.minimise.minimise() function. Instead of running processor.run_queue() at the end of the minimise() method of the specific_analyses.relax_disp.api.Relax_disp class, it is run at the end of the pipe_control.minimise.minimise() function. This might involve less that 10 lines of code changed to fully implement Monte Carlo simulation parallisation. But the problem is that it needs testing to see how the non-parallised analyses handle this. Regards, Edward On 15 September 2013 19:14, Troels Emtekær Linnet <tlinnet@xxxxxxxxx> wrote:
Hi Edward. I try to perform some speed-analysis. As mentioned here: http://wiki.nmr-relax.com/OpenMPI#Results I am very happy to see, that the analysis time go down from 8 hours, to 2 hours, when you change to a computer with 24 CPU's. Now I am trying to make a cluster analysis. But making the monte-carlo analysis for a clustering of 78 residues, takes extremely long time. This is for the test, where I only use 1 CPU. After 1 Hour, it has not even passed simulation 1. For the faster computer, is has passed simulation 3. But the time for 50 MC simulation, now looks like to take extremely long time. Do you know, if this is expected? Troels Emtekær Linnet _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list relax-devel@xxxxxxx To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel