Hi, This is not really a bug. It's just that the numerical precision on MS Windows is not as good as on Linux and Mac, and therefore many system tests have to be made less stringent for MS Windows. Despite this, the results are pretty much the same. I'll fix this one.
Regards, Edward On 2 September 2013 23:08, Troels Emtekær Linnet <[email protected]> wrote: > Hi. > > I have a system test fail: > > Calling: > relax -s Relax_disp.test_hansen_cpmg_data_to_ns_cpmg_2site_star > > Is this a bug? > > ============================= > = System / functional tests = > ============================= > > F > ====================================================================== > FAIL: test_hansen_cpmg_data_to_ns_cpmg_2site_star > (test_suite.system_tests.relax_disp.Relax_disp) > Optimisation of Dr. Flemming Hansen's CPMG data to the 'NS CPMG 2-site star' > dispersion model. > ---------------------------------------------------------------------- > > relax> pipe.create(pipe_name='relax_disp', pipe_type='relax_disp', > bundle=None) > > relax> pipe.create(pipe_name='base pipe', pipe_type='relax_disp', > bundle=None) > > relax> > results.read(file='C:\\WinPython27\\relax\\relax_disp\\test_suite\\shared_data\\dispersion\\Hansen\\base_pipe', > dir=None) > Opening the file > 'C:\\WinPython27\\relax\\relax_disp\\test_suite\\shared_data\\dispersion\\Hansen\\base_pipe.bz2' > for reading. > > relax> spin.isotope(isotope='15N', spin_id=None, force=False) > > relax> pipe.create(pipe_name='R2eff', pipe_type='relax_disp', bundle=None) > > relax> pipe.switch(pipe_name='R2eff') > > relax> > results.read(file='C:\\WinPython27\\relax\\relax_disp\\test_suite\\shared_data\\dispersion\\Hansen\\r2eff_pipe', > dir=None) > Opening the file > 'C:\\WinPython27\\relax\\relax_disp\\test_suite\\shared_data\\dispersion\\Hansen\\r2eff_pipe.bz2' > for reading. > > relax> pipe.copy(pipe_from='base pipe', pipe_to='NS CPMG 2-site star', > bundle_to='relax_disp') > > relax> pipe.switch(pipe_name='NS CPMG 2-site star') > > relax> relax_disp.select_model(model='NS CPMG 2-site star') > The numerical reduced solution for the 2-site Bloch-McConnell equations for > CPMG data using complex conjugate matrices, whereby the simplification R20A > = R20B is assumed. > > > relax> value.copy(pipe_from='R2eff', pipe_to='NS CPMG 2-site star', > param='r2eff') > > relax> minimise(min_algor='simplex', line_search=None, hessian_mod=None, > hessian_type=None, func_tol=1e-05, grad_tol=None, max_iter=1000, > constraints=False, scaling=True, > verbosity=1) > > > Fitting to the spin block [':70@N'] > ----------------------------------- > > > Simplex minimisation > ~~~~~~~~~~~~~~~~~~~~ > > k: 0 xk: [ 0.6996327746, 0.9452051268, 5.644862195, > 0.9897519798, 0.1723820567] fk: 18.1084550687 > k: 100 xk: [ 0.6993370616, 0.9451812929, 5.641863707, > 0.9897487812, 0.1724861979] fk: 18.0898622831 > > Parameter values: [0.69933709785769582, 0.94518128839624382, > 5.6418635141462259, 0.98974878081309914, 0.1724861988987203] > Function value: 18.089785814826453 > Iterations: 109 > Function calls: 253 > Gradient calls: 0 > Hessian calls: 0 > Warning: None > > > Optimised parameter values: > r2 (500.000 MHz): 6.993370978576959 > r2 (800.000 MHz): 9.451812883962438 > dw: 5.641863514146226 > pA: 0.989748780813099 > kex: 1724.861988987202949 > > > Fitting to the spin block [':71@N'] > ----------------------------------- > > > Simplex minimisation > ~~~~~~~~~~~~~~~~~~~~ > > k: 0 xk: [ 0.4978654237, 0.9276918959, 4.577891393, > 0.9968032899, 0.1830044597] fk: 1.37022318277 > > Parameter values: [0.49810082210753637, 0.95128284016159537, > 4.5690931023020607, 0.99680135212783216, 0.1831062464247688] > Function value: 1.3691246829648778 > Iterations: 92 > Function calls: 225 > Gradient calls: 0 > Hessian calls: 0 > Warning: None > > > Optimised parameter values: > r2 (500.000 MHz): 4.981008221075363 > r2 (800.000 MHz): 9.512828401615954 > dw: 4.569093102302061 > pA: 0.996801352127832 > kex: 1831.062464247688013 > > > Optimised parameters: > > Parameter Value (:70) Value (:71) > R2 (500 MHz) 6.99337097857696 4.98100822107536 > R2 (800 MHz) 9.45181288396244 9.51282840161595 > pA 0.989748780813099 0.996801352127832 > dw 5.64186351414623 4.56909310230206 > kex 1724.8619889872 1831.06246424769 > chi2 18.0897858148265 1.36912468296488 > > Traceback (most recent call last): > File > "C:\WinPython27\relax\relax_disp\test_suite\system_tests\relax_disp.py", > line 679, in test_hansen_cpmg_data_to_ns_cpmg_2site_star > self.assertAlmostEqual(spin70.r2[0], 6.99632787205716, 4) > AssertionError: 6.9933709785769587 != 6.99632787205716 within 4 places > > ---------------------------------------------------------------------- > Ran 1 test in 15.216s > > FAILED (failures=1) > > > =================================== > = Summary of the relax test suite = > =================================== > > > > Optional packages/modules > ========================= > > No tests skipped due to missing modules. > > > > Synopsis > ======== > > System/functional tests > ................................................................. [ Failed ] > > > Troels Emtekær Linnet > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-devel mailing list > [email protected] > > 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 > _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] 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
