Monte-Carlo simulation for a clustering of 78 residues in a dispersion analysis is extremely slow -- September 15, 2013 - 19:15

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