fixed libpfasst discrepancy, added flexibility for residual

Author: pancetta

pySDC/core/Level.py

@@ -7,6 +7,7 @@ def __init__(self, params):
         self.dt = None
         self.restol = 0.0
         self.nsweeps = 1
+        self.residual_type = 'full_abs'
         for k, v in params.items():
             setattr(self, k, v)
         # freeze class, no further attributes allowed from this point

pySDC/core/Sweeper.py

@@ -277,7 +277,17 @@ def compute_residual(self):
             res_norm.append(abs(res[m]))
 
         # find maximal residual over the nodes
-        L.status.residual = max(res_norm)
+        if L.params.residual_type == 'full_abs':
+            L.status.residual = max(res_norm)
+        elif L.params.residual_type == 'last_abs':
+            L.status.residual = res_norm[-1]
+        elif L.params.residual_type == 'full_rel':
+            L.status.residual = max(res_norm) / abs(L.u[0])
+        elif L.params.residual_type == 'last_rel':
+            L.status.residual = res_norm[-1] / abs(L.u[0])
+        else:
+            raise ParameterError(f'residual_type = {L.params.residual_type} not implemented, choose '
+                                 f'full_abs, last_abs, full_rel or last_rel instead')
 
         # indicate that the residual has seen the new values
         L.status.updated = False

pySDC/implementations/problem_classes/GrayScott_MPIFFT.py

@@ -55,7 +55,7 @@ def __init__(self, problem_params, dtype_u=parallel_mesh, dtype_f=parallel_imex_
         self.ndim = len(problem_params['nvars'])
         axes = tuple(range(self.ndim))
         self.fft = PFFT(problem_params['comm'], list(problem_params['nvars']), axes=axes, dtype=np.float64,
-                        collapse=True)
+                        collapse=True, backend='fftw')
 
         # get test data to figure out type and dimensions
         tmp_u = newDistArray(self.fft, problem_params['spectral'])

pySDC/playgrounds/mpifft/grayscott.py

@@ -10,6 +10,7 @@
 from pySDC.implementations.sweeper_classes.multi_implicit import multi_implicit
 from pySDC.implementations.problem_classes.GrayScott_MPIFFT import grayscott_imex_diffusion, grayscott_imex_linear, \
     grayscott_mi_diffusion, grayscott_mi_linear
+# from pySDC.implementations.problem_classes.GrayScott_FFT import grayscott_imex_linear
 from pySDC.implementations.transfer_classes.TransferMesh_MPIFFT import fft_to_fft
 
 
@@ -31,6 +32,7 @@ def run_simulation(spectral=None, splitting_type=None, ml=None, num_procs=None):
     level_params['restol'] = 1E-12
     level_params['dt'] = 1E-00
     level_params['nsweeps'] = [1]
+    level_params['residual_type'] = 'last_abs'
 
     # initialize sweeper parameters
     sweeper_params = dict()
@@ -58,7 +60,6 @@ def run_simulation(spectral=None, splitting_type=None, ml=None, num_procs=None):
     problem_params['newton_maxiter'] = 100
     problem_params['newton_tol'] = 1E-11
 
-
     # initialize step parameters
     step_params = dict()
     step_params['maxiter'] = 500
@@ -128,10 +129,12 @@ def run_simulation(spectral=None, splitting_type=None, ml=None, num_procs=None):
 
     plt.figure()
     plt.imshow(P.fft.backward(uend[..., 0]))#, vmin=0, vmax=1)
+    # plt.imshow(np.fft.irfft2(uend.values[..., 0]))#, vmin=0, vmax=1)
     plt.title('u')
     plt.colorbar()
     plt.figure()
     plt.imshow(P.fft.backward(uend[..., 1]))#, vmin=0, vmax=1)
+    # plt.imshow(np.fft.irfft2(uend.values[..., 1]))#, vmin=0, vmax=1)
     plt.title('v')
     plt.colorbar()
     # plt.figure()