mail[task #7807] Speed-up of dispersion models for Clustered analysis


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Posted by Troels E. Linnet on June 08, 2014 - 19:52:
Follow-up Comment #22, task #7807 (project relax):

System tests which fails

F    20.55 s for Relax_disp.test_hansen_cpmg_data_missing_auto_analysis
F    17.85 s for Relax_disp.test_sod1wt_t25_to_cr72

Checked on MacBook Pro
2.4 GHz Intel Core i5
8 GB 1067 Mhz DDR3 RAM.
Python Distribution -- Python 2.7.3 |EPD 7.3-2 (32-bit)| 

Timing for:
3 fields
('sfrq: ', 600000000.0, 'number of cpmg frq', 15, array([ 2., 6., 10., 14.,
18., 22., 26., 30., 34., 38., 42., 46., 50., 54., 58.])) 
('sfrq: ', 800000000.0, 'number of cpmg frq', 20, array([ 2., 6., 10., 14.,
18., 22., 26., 30., 34., 38., 42., 46., 50., 54., 58., 62., 66., 70., 74.,
78.])) 
('sfrq: ', 900000000.0, 'number of cpmg frq', 22, array([ 2., 6., 10., 14.,
18., 22., 26., 30., 34., 38., 42., 46., 50., 54., 58., 62., 66., 70., 74.,
78., 82., 86.])) 

iterations of function call: 1000

Timed for simulating 1 or 100 clustered spins.

########
For trunk: r23720
########

1 spin:
   ncalls  tottime  percall  cumtime  percall filename:lineno(function)
        1    0.000    0.000    0.561    0.561 <string>:1(<module>)
        1    0.001    0.001    0.561    0.561 pf:419(single)
     1000    0.002    0.000    0.557    0.001 pf:405(calc)
     1000    0.008    0.000    0.554    0.001
relax_disp.py:908(func_CR72_full)
     1000    0.053    0.000    0.541    0.001
relax_disp.py:456(calc_CR72_chi2)
     3003    0.384    0.000    0.427    0.000 cr72.py:100(r2eff_CR72)
     3000    0.042    0.000    0.057    0.000 chi2.py:32(chi2)


100 spins:
   ncalls  tottime  percall  cumtime  percall filename:lineno(function)
        1    0.000    0.000   54.497   54.497 <string>:1(<module>)
        1    0.002    0.002   54.497   54.497 pf:441(cluster)
     1000    0.004    0.000   54.411    0.054 pf:405(calc)
     1000    0.012    0.000   54.407    0.054
relax_disp.py:908(func_CR72_full)
     1000    5.241    0.005   54.380    0.054
relax_disp.py:456(calc_CR72_chi2)
   300300   38.743    0.000   43.050    0.000 cr72.py:100(r2eff_CR72)
   300000    4.224    0.000    5.736    0.000 chi2.py:32(chi2)



########
For disp_spin_speed: r23739
########

1 spin:
   ncalls  tottime  percall  cumtime  percall filename:lineno(function)
        1    0.000    0.000    0.794    0.794 <string>:1(<module>)
        1    0.001    0.001    0.793    0.793 pf:419(single)
     1000    0.002    0.000    0.788    0.001 pf:405(calc)
     1000    0.008    0.000    0.786    0.001
relax_disp.py:973(func_CR72_full)
     1000    0.145    0.000    0.772    0.001
relax_disp.py:496(calc_CR72_chi2)
     1003    0.163    0.000    0.376    0.000 cr72.py:101(r2eff_CR72)
    23029    0.195    0.000    0.195    0.000 {numpy.core.multiarray.array}
     4003    0.123    0.000    0.189    0.000 numeric.py:1862(allclose)
     3000    0.043    0.000    0.059    0.000 chi2.py:32(chi2)


100 spins:
   ncalls  tottime  percall  cumtime  percall filename:lineno(function)
        1    0.000    0.000   44.674   44.674 <string>:1(<module>)
        1    0.003    0.003   44.674   44.674 pf:441(cluster)
     1000    0.004    0.000   44.556    0.045 pf:405(calc)
     1000    0.015    0.000   44.551    0.045
relax_disp.py:973(func_CR72_full)
     1000   15.091    0.015   44.520    0.045
relax_disp.py:496(calc_CR72_chi2)
  1510108   20.473    0.000   20.473    0.000 {numpy.core.multiarray.array}
   300000    4.727    0.000    6.454    0.000 chi2.py:32(chi2)
     1300    1.403    0.001    2.184    0.002 cr72.py:101(r2eff_CR72)

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