Hi Troels, Unfortunately this commit introduces a bug:
On 27 May 2015 at 03:09, <tlin...@nmr-relax.com> wrote: > Author: tlinnet > Date: Wed May 27 03:09:55 2015 > New Revision: 27843 > > URL: http://svn.gna.org/viewcvs/relax?rev=27843&view=rev > Log: > In pipe_control of minimise, adding the possibility to control verbosity in > multi processor mode. > > Modified: > trunk/pipe_control/minimise.py > > Modified: trunk/pipe_control/minimise.py > URL: > http://svn.gna.org/viewcvs/relax/trunk/pipe_control/minimise.py?rev=27843&r1=27842&r2=27843&view=diff > ============================================================================== > --- trunk/pipe_control/minimise.py (original) > +++ trunk/pipe_control/minimise.py Wed May 27 03:09:55 2015 > @@ -31,6 +31,7 @@ > from lib.float import isNaN > from lib.io import write_data > from multi import Processor_box > +from multi.misc import Verbosity; mverbosity = Verbosity() > from pipe_control.mol_res_spin import return_spin, spin_loop > from pipe_control import pipes > from pipe_control.pipes import check_pipe > @@ -428,7 +429,7 @@ > cdp.grid_zoom_level = level > > > -def minimise(min_algor=None, line_search=None, hessian_mod=None, > hessian_type=None, func_tol=None, grad_tol=None, max_iter=None, > constraints=True, scaling=True, verbosity=1, sim_index=None): > +def minimise(min_algor=None, line_search=None, hessian_mod=None, > hessian_type=None, func_tol=None, grad_tol=None, max_iter=None, > constraints=True, scaling=True, verbosity=1, mp_verbosity=0, sim_index=None): > """Minimisation function. > > @keyword min_algor: The minimisation algorithm to use. > @@ -451,6 +452,8 @@ > @type scaling: bool > @keyword verbosity: The amount of information to print. The > higher the value, the greater the verbosity. > @type verbosity: int > + @keyword mp_verbosity: The amount of information to print from the > multi processor module. The higher the value, the greater the verbosity. > + @type mp_verbosity: int > @keyword sim_index: The index of the simulation to optimise. > This should be None if normal optimisation is desired. > @type sim_index: None or int > """ > @@ -487,6 +490,9 @@ > processor_box = Processor_box() > processor = processor_box.processor > > + # Store the verbosity level for the multiprocessor. > + mverbosity.set(mp_verbosity) > + > # Single Monte Carlo simulation. > if sim_index != None: > # Reset the minimisation statistics. > @@ -511,8 +517,8 @@ > api.minimise(min_algor=min_algor, min_options=min_options, > func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iter, > constraints=constraints, scaling_matrix=scaling_matrix, > verbosity=verbosity-1, sim_index=i) > > # Print out. > - if verbosity and not processor.is_queued(): > - print("Simulation " + repr(i+1)) > + if verbosity and processor.is_queued(): > + print("Queueing Simulation nr:" + repr(i+1)) The first print statement should not have been deleted! In the uni-processor mode, it is required to print out the currently completed MC simulation. For example before: """ $ ./relax -sd Mf.test_opt_constr_newton_gmw_mt_S2_0_970_te_2048_Rex_0_149 [snip] relax> monte_carlo.setup(number=3) relax> monte_carlo.create_data(method='back_calc', distribution='measured', fixed_error=None) relax> monte_carlo.initial_values() relax> minimise.execute(min_algor='newton', line_search=None, hessian_mod=None, hessian_type=None, func_tol=1e-25, grad_tol=None, max_iter=10000000, constraints=True, scaling=True, verbosity=1) Over-fit spin deselection: No spins have been deselected. Simulation 1 Simulation 2 Simulation 3 relax> monte_carlo.error_analysis() """ And after: """ $ ./relax -sd Mf.test_opt_constr_newton_gmw_mt_S2_0_970_te_2048_Rex_0_149 [snip] relax> monte_carlo.setup(number=3) relax> monte_carlo.create_data(method='back_calc', distribution='measured', fixed_error=None) relax> monte_carlo.initial_values() relax> minimise.execute(min_algor='newton', line_search=None, hessian_mod=None, hessian_type=None, func_tol=1e-25, grad_tol=None, max_iter=10000000, constraints=True, scaling=True, verbosity=1, mp_verbosity=0) Over-fit spin deselection: No spins have been deselected. relax> monte_carlo.error_analysis() """ The second printout might be better if the mp_verbosity flag is set, rather than verbosity. This is not needed for normal analysis, as the aim is to have the same output and behaviour from the uni-processor and multi-processor, i.e. before the change: """ $ mpirun -np 6 relax -sd Mf.test_opt_constr_newton_gmw_mt_S2_0_970_te_2048_Rex_0_149 --multi=mpi4py [snip] relax> monte_carlo.setup(number=3) relax> monte_carlo.create_data(method='back_calc', distribution='measured', fixed_error=None) relax> monte_carlo.initial_values() relax> minimise.execute(min_algor='newton', line_search=None, hessian_mod=None, hessian_type=None, func_tol=1e-25, grad_tol=None, max_iter=10000000, constraints=True, scaling=True, verbosity=1) Over-fit spin deselection: No spins have been deselected. Idle set: set([2, 3, 4, 5]) Running set: set([1]) Simulation 1 Idle set: set([2, 3, 4, 5]) Running set: set([1]) Simulation 2 Idle set: set([2, 3, 4, 5]) Running set: set([1]) Simulation 3 relax> monte_carlo.error_analysis() """ Currently the muti-processor output is delayed until the end, but all the "Queuing..." statements will pop out at the start before anything is run. Neither is ideal. Also, I would suggest having instead: > + if mp_verbosity and processor.is_queued(): > + print("Queueing simulation " + repr(i+1)) This is to maintain the same format. Also note that these print statements are in all of the functions of pipe_control.minimise, however this change is only for one of the functions. So if you would like to keep this, then please extend to all the functions. Cheers, Edward _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list relax-devel@gna.org 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
