Cosmetic changes

pySDC/core/Controller.py

@@ -160,40 +160,41 @@ def dump_setup(self, step, controller_params, description):
         self.logger.info(out)
         out = '----------------------------------------------------------------------------------------------------\n\n'
         out += 'Controller: %s\n' % self.__class__
-        for k, v in vars(self.params).items():
+        for k, v in sorted(vars(self.params).items()):
             if not k.startswith('_'):
                 if k in controller_params:
                     out += '--> %s = %s\n' % (k, v)
                 else:
                     out += '    %s = %s\n' % (k, v)
 
         out += '\nStep: %s\n' % step.__class__
-        for k, v in vars(step.params).items():
+        for k, v in sorted(vars(step.params).items()):
             if not k.startswith('_'):
                 if k in description['step_params']:
                     out += '--> %s = %s\n' % (k, v)
                 else:
                     out += '    %s = %s\n' % (k, v)
+        out += f'    Number of steps: {step.status.time_size}\n'
 
         out += '    Level: %s\n' % step.levels[0].__class__
         for L in step.levels:
             out += '        Level %2i\n' % L.level_index
-            for k, v in vars(L.params).items():
+            for k, v in sorted(vars(L.params).items()):
                 if not k.startswith('_'):
                     if k in description['level_params']:
                         out += '-->         %s = %s\n' % (k, v)
                     else:
                         out += '            %s = %s\n' % (k, v)
             out += '-->         Problem: %s\n' % L.prob.__class__
-            for k, v in L.prob.params.items():
+            for k, v in sorted(L.prob.params.items()):
                 if k in description['problem_params']:
                     out += '-->             %s = %s\n' % (k, v)
                 else:
                     out += '                %s = %s\n' % (k, v)
             out += '-->             Data type u: %s\n' % L.prob.dtype_u
             out += '-->             Data type f: %s\n' % L.prob.dtype_f
             out += '-->             Sweeper: %s\n' % L.sweep.__class__
-            for k, v in vars(L.sweep.params).items():
+            for k, v in sorted(vars(L.sweep.params).items()):
                 if not k.startswith('_'):
                     if k in description['sweeper_params']:
                         out += '-->                 %s = %s\n' % (k, v)
@@ -206,14 +207,14 @@ def dump_setup(self, step, controller_params, description):
                 out += '-->     Base Transfer: %s\n' % step.base_transfer.__class__
             else:
                 out += '        Base Transfer: %s\n' % step.base_transfer.__class__
-            for k, v in vars(step.base_transfer.params).items():
+            for k, v in sorted(vars(step.base_transfer.params).items()):
                 if not k.startswith('_'):
                     if k in description['base_transfer_params']:
                         out += '-->         %s = %s\n' % (k, v)
                     else:
                         out += '            %s = %s\n' % (k, v)
             out += '-->     Space Transfer: %s\n' % step.base_transfer.space_transfer.__class__
-            for k, v in vars(step.base_transfer.space_transfer.params).items():
+            for k, v in sorted(vars(step.base_transfer.space_transfer.params).items()):
                 if not k.startswith('_'):
                     if k in description['space_transfer_params']:
                         out += '-->         %s = %s\n' % (k, v)

pySDC/core/ConvergenceController.py

@@ -44,7 +44,7 @@ def __init__(self, controller, params, description, **kwargs):
         """
         self.params = Pars(self.setup(controller, params, description))
         params_ok, msg = self.check_parameters(controller, params, description)
-        assert params_ok, msg
+        assert params_ok, f'{type(self).__name__} -- {msg}'
         self.dependencies(controller, description)
         self.logger = logging.getLogger(f"{type(self).__name__}")
 

pySDC/core/Problem.py

@@ -35,6 +35,9 @@ def __call__(self, *args, **kwargs):
     def decrement(self):
         self.niter -= 1
 
+    def __str__(self):
+        return f'{self.niter}'
+
 
 class ptype(RegisterParams):
     """

pySDC/helpers/problem_helper.py

@@ -164,7 +164,7 @@ def get_finite_difference_matrix(
             neumann_bc_order = par.pop('neumann_bc_order')
             assert len(par) == 0, f"unused BCs parameters : {par}"
 
-            # -- halh stencil width
+            # -- half stencil width
             sWidth = -min(steps) if iS == 0 else max(steps)
 
             # -- loop over lines of A that have to be modified

pySDC/implementations/convergence_controller_classes/estimate_embedded_error.py

@@ -49,7 +49,11 @@ def setup(self, controller, params, description, **kwargs):
         Returns:
             dict: Updated parameters
         """
-        sweeper_type = 'RK' if RungeKutta in description['sweeper_class'].__mro__ else 'SDC'
+        sweeper_type = 'SDC'
+        if RungeKutta in description['sweeper_class'].__mro__:
+            sweeper_type = 'RK'
+        elif 'SweeperMPI' in [me.__name__ for me in description['sweeper_class'].__mro__]:
+            sweeper_type = 'MPI'
         return {
             "control_order": -80,
             "sweeper_type": sweeper_type,
@@ -94,10 +98,13 @@ def estimate_embedded_error_serial(self, L):
         elif self.params.sweeper_type == "SDC":
             # order rises by one between sweeps, making this so ridiculously easy
             return abs(L.uold[-1] - L.u[-1])
+        elif self.params.sweeper_type == 'MPI':
+            comm = L.sweep.comm
+            return comm.bcast(abs(L.uold[comm.rank + 1] - L.u[comm.rank + 1]), root=comm.size - 1)
         else:
             raise NotImplementedError(
                 f"Don't know how to estimate embedded error for sweeper type \
-{self.params.sweeper_type}"
+\"{self.params.sweeper_type}\""
             )
 
     def setup_status_variables(self, controller, **kwargs):
@@ -139,6 +146,7 @@ def post_iteration_processing(self, controller, S, **kwargs):
         if S.status.iter > 0 or self.params.sweeper_type == "RK":
             for L in S.levels:
                 L.status.error_embedded_estimate = max([self.estimate_embedded_error_serial(L), np.finfo(float).eps])
+                self.debug(f'L.status.error_embedded_estimate={L.status.error_embedded_estimate:.5e}', S)
 
         return None
 

pySDC/implementations/hooks/log_errors.py

@@ -48,7 +48,7 @@ def log_global_error(self, step, level_number, suffix=''):
             iter=step.status.iter,
             sweep=L.status.sweep,
             type=f'e_global_rel{suffix}',
-            value=abs((u_ref - L.uend / u_ref)),
+            value=abs(u_ref - L.uend) / abs(u_ref),
         )
 
     def log_local_error(self, step, level_number, suffix=''):
@@ -195,7 +195,7 @@ def post_run(self, step, level_number):
                 iter=step.status.iter,
                 sweep=L.status.sweep,
                 type='e_global_rel_post_run',
-                value=abs((u_num - u_ref) / u_ref),
+                value=abs(u_num - u_ref) / abs(u_ref),
             )
 
 

pySDC/implementations/problem_classes/Lorenz.py

@@ -1,6 +1,7 @@
 import numpy as np
 from pySDC.core.Problem import ptype, WorkCounter
 from pySDC.implementations.datatype_classes.mesh import mesh
+from pySDC.core.Errors import ConvergenceError
 
 
 class LorenzAttractor(ptype):
@@ -57,13 +58,13 @@ class LorenzAttractor(ptype):
     dtype_u = mesh
     dtype_f = mesh
 
-    def __init__(self, sigma=10.0, rho=28.0, beta=8.0 / 3.0, newton_tol=1e-9, newton_maxiter=99):
+    def __init__(self, sigma=10.0, rho=28.0, beta=8.0 / 3.0, newton_tol=1e-9, newton_maxiter=99, stop_at_nan=True):
         """Initialization routine"""
 
         nvars = 3
         # invoke super init, passing number of dofs, dtype_u and dtype_f
         super().__init__(init=(nvars, None, np.dtype('float64')))
-        self._makeAttributeAndRegister('nvars', localVars=locals(), readOnly=True)
+        self._makeAttributeAndRegister('nvars', 'stop_at_nan', localVars=locals(), readOnly=True)
         self._makeAttributeAndRegister(
             'sigma', 'rho', 'beta', 'newton_tol', 'newton_maxiter', localVars=locals(), readOnly=False
         )
@@ -141,7 +142,13 @@ def solve_system(self, rhs, dt, u0, t):
 
             # compute the residual and determine if we are done
             res = np.linalg.norm(G, np.inf)
-            if res <= self.newton_tol or np.isnan(res):
+            if res <= self.newton_tol:
+                break
+            if np.isnan(res) and self.stop_at_nan:
+                self.logger.warning('Newton got nan after %i iterations...' % _n)
+                raise ConvergenceError('Newton got nan after %i iterations, aborting...' % _n)
+            elif np.isnan(res):
+                self.logger.warning('Newton got nan after %i iterations...' % _n)
                 break
 
             # assemble inverse of Jacobian J of G

pySDC/implementations/problem_classes/Van_der_Pol_implicit.py

@@ -165,6 +165,7 @@ def solve_system(self, rhs, dt, u0, t):
             self.work_counters['newton']()
 
         if np.isnan(res) and self.stop_at_nan:
+            self.logger.warning('Newton got nan after %i iterations...' % n)
             raise ProblemError('Newton got nan after %i iterations, aborting...' % n)
         elif np.isnan(res):
             self.logger.warning('Newton got nan after %i iterations...' % n)

pySDC/implementations/sweeper_classes/imex_1st_order.py

@@ -28,7 +28,7 @@ def __init__(self, params):
             params['QE'] = 'EE'
 
         # call parent's initialization routine
-        super(imex_1st_order, self).__init__(params)
+        super().__init__(params)
 
         # IMEX integration matrices
         self.QI = self.get_Qdelta_implicit(coll=self.coll, qd_type=self.params.QI)

pySDC/projects/Resilience/collocation_adaptivity.py

@@ -55,13 +55,6 @@
 }
 
 
-def get_collocation_order(quad_type, num_nodes, node_type):
-    """
-    Compute the maximal order achievable by a given collocation method
-    """
-    pass
-
-
 # define a few hooks
 class LogSweeperParams(hooks):
     """