Hi Edward. As you please.
Best Troels 2014-08-22 18:52 GMT+02:00 Edward d'Auvergne <[email protected]>: > Hi Troels, > > I have been looking at profiling the 'NS R1rho 2-site' model as I > would like to see what happens with the change: > > Index: lib/dispersion/ns_r1rho_2site.py > =================================================================== > --- lib/dispersion/ns_r1rho_2site.py (revision 25225) > +++ lib/dispersion/ns_r1rho_2site.py (working copy) > @@ -233,11 +233,8 @@ > Rexpo_mat = matrix_exponential(R_mat) > > # Magnetization evolution. > - Rexpo_M0_mat = einsum('...ij, ...jk', Rexpo_mat, M0) > + MA_mat = einsum('...ij, ...jk, ...kl', M0_T, Rexpo_mat, M0)[:, :, > :, :, :, 0, 0] > > - # Magnetization evolution, which include all dimensions. > - MA_mat = einsum('...ij, ...jk', M0_T, Rexpo_M0_mat)[:, :, :, :, :, 0, 0] > - > # Insert safe checks. > if min(MA_mat) < 0.0: > mask_min_MA_mat = masked_less(MA_mat, 0.0) > > > This change appears to work and might make things faster, but the > profiling scripts no longer work due to the relax_times data structure > changes. I don't know how we would fix this so that it continues to > run on older relax versions as well as the current version with the > relax_times structure updated. Maybe we could create 2 relax_times > data structures, and then decide which is best based on the > Dispersion.__init__.__doc__ contents. What do you think? I will > probably rerun the full profiling disp_profile_all.py script before > releasing relax 3.3.0, as the timings are now out of date. > > Cheers, > > Edward > > > P. S. I thought of this change while trying to work out why different > T_relax values cause this module to return different R1rho values! > Strange. > > _______________________________________________ > 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
