Formatting and comments update.

gprMax/gprMax.py

@@ -33,7 +33,7 @@ from ._version import __version__
 from .constants import c, e0, m0, z0
 from .exceptions import GeneralError
 from .fields_update import update_electric, update_magnetic, update_electric_dispersive_multipole_A, update_electric_dispersive_multipole_B, update_electric_dispersive_1pole_A, update_electric_dispersive_1pole_B
-from .grid import FDTDGrid, dispersion_check, Ix, Iy, Iz
+from .grid import FDTDGrid, dispersion_check
 from .input_cmds_geometry import process_geometrycmds
 from .input_cmds_file import process_python_include_code, write_processed_file, check_cmd_names
 from .input_cmds_multiuse import process_multicmds
@@ -125,7 +125,7 @@ def run_main(args):
         else:
             run_std_sim(args, numbermodelruns, inputfile, usernamespace)
 
-        print('\nSimulation completed.\n{}\n'.format(68*'*'))
+        print('\nSimulation completed.\n{}\n'.format(68 * '*'))
 
 
 def run_std_sim(args, numbermodelruns, inputfile, usernamespace, optparams=None):
@@ -165,13 +165,14 @@ def run_benchmark_sim(args, inputfile, usernamespace):
     # Number of threads to test - start from max physical CPU cores and divide in half until 1
     thread = psutil.cpu_count(logical=False)
     threads = [thread]
-    while not thread%2:
+    while not thread % 2:
         thread /= 2
         threads.append(int(thread))
 
     benchtimes = np.zeros(len(threads))
 
     numbermodelruns = len(threads)
+    usernamespace['number_model_runs'] = numbermodelruns
     tsimstart = perf_counter()
     for modelrun in range(1, numbermodelruns + 1):
         os.environ['OMP_NUM_THREADS'] = str(threads[modelrun - 1])
@@ -181,7 +182,7 @@ def run_benchmark_sim(args, inputfile, usernamespace):
 
     # Save number of threads and benchmarking times to NumPy archive
     threads = np.array(threads)
-    np.savez(os.path.splitext(inputfile)[0], threads=threads, benchtimes=benchtimes)
+    np.savez(os.path.splitext(inputfile)[0], threads=threads, benchtimes=benchtimes, version=__version__)
 
     print('\nTotal simulation time [HH:MM:SS]: {}'.format(datetime.timedelta(seconds=int(tsimend - tsimstart))))
 
@@ -215,7 +216,7 @@ def run_mpi_sim(args, numbermodelruns, inputfile, usernamespace, optparams=None)
         closedworkers = 0
         print('Master: PID {} on {} using {} workers.'.format(os.getpid(), name, numworkers))
         while closedworkers < numworkers:
-            data = comm.recv(source=MPI.ANY_SOURCE, tag=MPI.ANY_TAG, status=status)
+            # data = comm.recv(source=MPI.ANY_SOURCE, tag=MPI.ANY_TAG, status=status)  # Check if this line is really needed
             source = status.Get_source()
             tag = status.Get_tag()
 
@@ -238,7 +239,7 @@ def run_mpi_sim(args, numbermodelruns, inputfile, usernamespace, optparams=None)
         print('Worker {}: PID {} on {} requesting {} OpenMP threads.'.format(rank, os.getpid(), name, os.environ.get('OMP_NUM_THREADS')))
         while True:
             comm.send(None, dest=0, tag=tags.READY.value)
-            modelrun = comm.recv(source=0, tag=MPI.ANY_TAG, status=status) # Receive a model number to run from the master
+            modelrun = comm.recv(source=0, tag=MPI.ANY_TAG, status=status)  #  Receive a model number to run from the master
             tag = status.Get_tag()
 
             # Run a model
@@ -281,8 +282,8 @@ def run_model(args, modelrun, numbermodelruns, inputfile, usernamespace):
     global G
 
     # Normal model reading/building process; bypassed if geometry information to be reused
-    if not 'G' in globals():
-        print('\n{}\n\nModel input file: {}\n'.format(68*'*', inputfile))
+    if 'G' not in globals():
+        print('\n{}\n\nModel input file: {}\n'.format(68 * '*', inputfile))
 
         # Add the current model run to namespace that can be accessed by user in any Python code blocks in input file
         usernamespace['current_model_run'] = modelrun
@@ -355,7 +356,7 @@ def run_model(args, modelrun, numbermodelruns, inputfile, usernamespace):
         if G.messages:
             print('\nMaterials:\n')
             print('ID\tName\t\tProperties')
-            print('{}'.format('-'*50))
+            print('{}'.format('-' * 50))
         for material in G.materials:
 
             # Calculate update coefficients for material
@@ -370,7 +371,7 @@ def run_model(args, modelrun, numbermodelruns, inputfile, usernamespace):
             if Material.maxpoles != 0:
                 z = 0
                 for pole in range(Material.maxpoles):
-                    G.updatecoeffsdispersive[material.numID, z:z+3] = e0 * material.eqt2[pole], material.eqt[pole], material.zt[pole]
+                    G.updatecoeffsdispersive[material.numID, z:z + 3] = e0 * material.eqt2[pole], material.eqt[pole], material.zt[pole]
                     z += 3
 
             if G.messages:
@@ -423,7 +424,7 @@ def run_model(args, modelrun, numbermodelruns, inputfile, usernamespace):
         tgeostart = perf_counter()
         for geometryview in G.geometryviews:
             geometryview.write_vtk(modelrun, numbermodelruns, G)
-        #geometryview.write_xdmf(modelrun, numbermodelruns, G)
+            # geometryview.write_xdmf(modelrun, numbermodelruns, G)
         tgeoend = perf_counter()
         print('\nGeometry file(s) written in [HH:MM:SS]: {}'.format(datetime.timedelta(seconds=int(tgeoend - tgeostart))))
 
@@ -519,8 +520,8 @@ def run_model(args, modelrun, numbermodelruns, inputfile, usernamespace):
         write_hdf5(outputfile, G.Ex, G.Ey, G.Ez, G.Hx, G.Hy, G.Hz, G)
 
         tsolveend = perf_counter()
-        print('\n\nSolving took [HH:MM:SS]: {}'.format(datetime.timedelta(seconds=int(tsolveend - tsolvestart))))
-        print('Peak memory (approx) used: {}'.format(human_size(p.memory_info().rss)))
+        print('\n\nSolving took [HH:MM:SS]: {} @ {:g} cells/s'.format(datetime.timedelta(seconds=int(tsolveend - tsolvestart)), (G.nx * G.ny * G.nz) / (tsolveend - tsolvestart)))
+        print('Memory (RAM) usage: ~{}'.format(human_size(p.memory_info().rss)))
 
         ##################################
         #  End - Main FDTD calculations  #
@@ -531,7 +532,3 @@ def run_model(args, modelrun, numbermodelruns, inputfile, usernamespace):
             del G
 
         return int(tsolveend - tsolvestart)
-
-
-
-