[Draft] Mayes 2018 Test

examples/expanding_beam/run_expanding.py

@@ -1,15 +1,18 @@
 #!/usr/bin/env python3
 #
 # Copyright 2022 ImpactX contributors
-# Authors: Axel Huebl, Chad Mitchell
+# Authors: Axel Huebl, Christopher E. Mayes
 # License: BSD-3-Clause-LBNL
 #
 # -*- coding: utf-8 -*-
 
+import numpy as np
+
 import amrex
 from impactx import ImpactX, RefPart, distribution, elements
 
 pp_amr = amrex.ParmParse("amr")
+# pp_amr.addarr("n_cell", [128, 128, 128])
 pp_amr.addarr("n_cell", [40, 40, 32])
 
 sim = ImpactX()
@@ -21,39 +24,88 @@
 sim.prob_relative = 1.0
 
 # beam diagnostics
-# sim.diagnostics = False  # benchmarking
+sim.diagnostics = False
 sim.slice_step_diagnostics = False
 
 # domain decomposition & space charge mesh
 sim.init_grids()
 
-# load a 2 GeV electron beam with an initial
+# load a 10 MeV electron beam with an initial
 # unnormalized rms emittance of 2 nm
-energy_MeV = 250  # reference energy
+energy_MeV = 10  # reference energy
+mass_MeV = 0.510998950  # electron mass in MeV/c^2
 bunch_charge_C = 1.0e-9  # used with space charge
-npart = 10000  # number of macro particles
+npart = int(10000)  # number of macro particles
 
 #   reference particle
 ref = sim.particle_container().ref_particle()
-ref.set_charge_qe(-1.0).set_mass_MeV(0.510998950).set_energy_MeV(energy_MeV)
+ref.set_charge_qe(-1.0).set_mass_MeV(mass_MeV).set_energy_MeV(energy_MeV)
 
 #   particle bunch
+r = 1.0  # aspect ratio = sigma_z / sigma_perp = 0.01 - 10
+sigma_z = 1.0e-6  # mm
+sigma_r = sigma_z / r
+gamma = energy_MeV / mass_MeV
+beta = (1.0 - (1.0 / gamma) ** 2) ** 0.5
+c0 = 2.99792458e8  # speed of light in m/s
+sigma_t = sigma_z / (c0 * beta)
+print(f"sigma_t={sigma_t}s")
+
 distr = distribution.Waterbag(
-    sigmaX=4.472135955e-4,
-    sigmaY=4.472135955e-4,
-    sigmaT=9.12241869e-7,
+    sigmaX=sigma_r,
+    sigmaY=sigma_r,
+    sigmaT=sigma_t,
     sigmaPx=0.0,
     sigmaPy=0.0,
     sigmaPt=0.0,
 )
 sim.add_particles(bunch_charge_C, distr, npart)
 
 # design the accelerator lattice
-sim.lattice.append(elements.Drift(ds=6.0, nslice=30))
+sim.lattice.append(elements.Drift(ds=1.0, nslice=30))
 
 # run simulation
 sim.evolve()
 
+# calculate phase space
+#   hack:
+import matplotlib.pyplot as plt
+
+num_plots_per_row = 2
+f, axs = plt.subplots(1, num_plots_per_row, figsize=(7, 2))
+ax_x_px = axs[0]
+ax_z_pz = axs[1]
+
+pc = sim.particle_container()
+lev = pc.GetParticles(0)
+for tile_ind, pt in lev.items():
+    # positions + id + cpuid
+    aos = pt.GetArrayOfStructs()
+    aos_arr = np.array(aos, copy=False)
+
+    # momentum & particle weight
+    real_arrays = pt.GetStructOfArrays().GetRealData()
+    px = np.array(real_arrays[0], copy=False)
+    pz = np.array(real_arrays[2], copy=False)
+
+    print(f"tile_ind={tile_ind}, pt={pt}")
+    print(f"aos_arr={aos_arr}, aos_arr.shape={aos_arr.shape}")
+    print(f"px={px}, px.shape={px.shape}")
+
+    ax_x_px.scatter(aos_arr[()]["x"], px)
+    ax_z_pz.scatter(aos_arr[()]["z"], pz)
+plt.show()
+
+# MPI reduce phase space
+#   TODO SUM up histograms via MPI
+
+# plot phase space
+# import matplotlib.pyplot as plt
+# f = plt.figure()
+# ax = plt.gca()
+# ax.scatter()
+
 # clean shutdown
+#   note: timers turned stop here
 del sim
 amrex.finalize()

src/particles/spacecharge/PoissonSolve.cpp

@@ -52,8 +52,8 @@ namespace impactx::spacecharge
         amrex::Real const mlmg_relative_tolerance = 1.e-7; // relative TODO: make smaller for SP
         amrex::Real const mlmg_absolute_tolerance = 0.0;   // ignored
 
-        int const mlmg_max_iters = 100;
-        int const mlmg_verbosity = 1;
+        int const mlmg_max_iters = 250;
+        int const mlmg_verbosity = 2;
 
         struct PoissonBoundaryHandler {
             amrex::Array<amrex::LinOpBCType, AMREX_SPACEDIM> const lobc = {