Author: bugman Date: Wed Jun 18 15:22:21 2014 New Revision: 24089 URL: http://svn.gna.org/viewcvs/relax?rev=24089&view=rev Log: Added the 'NS CPMG 2-site 3D' model to the dispersion super profiling script. To handle the fact that this script has nr_iter set to 100 rather than 1000 (as otherwise it is too slow), a list of scaling factors has been created to scale all timing numbers to equivalent values. Modified: branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/disp_profile_all.py Modified: branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/disp_profile_all.py URL: http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/disp_profile_all.py?rev=24089&r1=24088&r2=24089&view=diff ============================================================================== --- branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/disp_profile_all.py (original) +++ branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/disp_profile_all.py Wed Jun 18 15:22:21 2014 @@ -40,7 +40,8 @@ 'CR72', 'TSMFK01', 'B14', - 'NS CPMG 2-site expanded' + 'NS CPMG 2-site expanded', + 'NS CPMG 2-site 3D' ] # The current scripts. @@ -48,7 +49,17 @@ 'profiling_cr72.py', 'profiling_tsmfk01.py', 'profiling_b14.py', - 'profiling_ns_cpmg_2site_expanded.py' + 'profiling_ns_cpmg_2site_expanded.py', + 'profiling_ns_cpmg_2site_3D.py' +] + +# Multiplication factors (to scale for different nr_iter values). +scaling_factor = [ + 1.0, + 1.0, + 1.0, + 1.0, + 10.0 ] # Path to relax 3.2.2, or any other version. @@ -140,25 +151,28 @@ speed_up_cluster = {} # Loop over the models. -for model in models: - # The averages. - ave_new[model] = average(timings_new[model][0]) - ave_new_cluster[model] = average(timings_new[model][1]) - ave_alt[model] = average(timings_alt[model][0]) - ave_alt_cluster[model] = average(timings_alt[model][1]) +for i in range(len(models)): + # Alias. + model = models[i] + + # The averages (scaled for different nr_iter). + ave_new[model] = average(timings_new[model][0]) * scaling_factor[i] + ave_new_cluster[model] = average(timings_new[model][1]) * scaling_factor[i] + ave_alt[model] = average(timings_alt[model][0]) * scaling_factor[i] + ave_alt_cluster[model] = average(timings_alt[model][1]) * scaling_factor[i] # The SD. - sd_new[model] = std(timings_new[model][0]) - sd_new_cluster[model] = std(timings_new[model][1]) - sd_alt[model] = std(timings_alt[model][0]) - sd_alt_cluster[model] = std(timings_alt[model][1]) + sd_new[model] = std(timings_new[model][0]) * scaling_factor[i] + sd_new_cluster[model] = std(timings_new[model][1]) * scaling_factor[i] + sd_alt[model] = std(timings_alt[model][0]) * scaling_factor[i] + sd_alt_cluster[model] = std(timings_alt[model][1]) * scaling_factor[i] # The speed up. speed_up[model] = ave_alt[model] / ave_new[model] speed_up_cluster[model] = ave_alt_cluster[model] / ave_new_cluster[model] # Final printout. -print("\n\nSingle spin analysis:") +print("\n\n100 single spins analysis:") for model in models: print("%-10s: %.3f+/-%.3f -> %.3f+/-%.3f, %.3fx faster." % (model, ave_alt[model], sd_alt[model], ave_new[model], sd_new[model], speed_up[model])) print("\nCluster of 100 spins analysis:")