From 7f925bfed6c94b8ce42dc39a1e018f462f83a15f Mon Sep 17 00:00:00 2001 From: Michael Zingale Date: Thu, 6 Jun 2024 12:50:54 -0400 Subject: [PATCH] sync up with the MAESTROeX xrb_layered (#2830) also add a non-uniform grid version --- Exec/science/xrb_layered/_prob_params | 6 +- .../xrb_layered/analysis/slice_vertical.py | 113 + Exec/science/xrb_layered/analysis/vol-zvel.py | 99 + Exec/science/xrb_layered/inputs_2d | 9 +- Exec/science/xrb_layered/inputs_2d.nonsquare | 96 + Exec/science/xrb_layered/inputs_3d.nonsquare | 103 + Exec/science/xrb_layered/problem_initialize.H | 1 - .../problem_initialize_state_data.H | 12 +- Exec/science/xrb_layered/problem_tagging.H | 6 +- ...hot_castro_3cm.hse => toy_atm_hot_3cm.hse} | 2048 ++++++++--------- 10 files changed, 1460 insertions(+), 1033 deletions(-) create mode 100644 Exec/science/xrb_layered/analysis/slice_vertical.py create mode 100644 Exec/science/xrb_layered/analysis/vol-zvel.py create mode 100644 Exec/science/xrb_layered/inputs_2d.nonsquare create mode 100644 Exec/science/xrb_layered/inputs_3d.nonsquare rename Exec/science/xrb_layered/{toy_atm_hot_castro_3cm.hse => toy_atm_hot_3cm.hse} (59%) diff --git a/Exec/science/xrb_layered/_prob_params b/Exec/science/xrb_layered/_prob_params index 99a716b817..b03bbf55a0 100644 --- a/Exec/science/xrb_layered/_prob_params +++ b/Exec/science/xrb_layered/_prob_params @@ -1,4 +1,8 @@ -H_min real 1.e-4_rt y +# H mass fraction above which to refine +H_min real -1.0 y + +# He mass fraction above which to refine +He_min real -1.0 y cutoff_density real 50.0_rt y diff --git a/Exec/science/xrb_layered/analysis/slice_vertical.py b/Exec/science/xrb_layered/analysis/slice_vertical.py new file mode 100644 index 0000000000..576aaab71e --- /dev/null +++ b/Exec/science/xrb_layered/analysis/slice_vertical.py @@ -0,0 +1,113 @@ +import argparse +import os +import sys + +import matplotlib +import matplotlib.pyplot as plt +import numpy as np +from mpl_toolkits.axes_grid1 import ImageGrid + +import yt +from yt.frontends.boxlib.api import CastroDataset +# assume that our data is in CGS +from yt.units import amu, cm + +matplotlib.use('agg') + +def doit(plotfiles): + + plotfile = sys.argv[1] + ds = CastroDataset(plotfile) + + xmin = ds.domain_left_edge[0] + xmax = ds.domain_right_edge[0] + xctr = 0.5 * (xmin + xmax) + L_x = xmax - xmin + + ymin = ds.domain_left_edge[1] + ymax = ds.domain_right_edge[1] + yctr = 0.5*(ymin + ymax) + + zmin = ds.domain_left_edge[2] + zmax = ds.domain_right_edge[2] + zctr = 0.5*(zmin + zmax) + + + zctr = 0.5*(zmin + zmax) + L_z = zmax - zmin + + fig = plt.figure() + + grid = ImageGrid(fig, 111, nrows_ncols=(len(plotfiles), 1), + axes_pad=0.25, label_mode="L", + cbar_mode="single", cbar_size="3%") + + for i, pf in enumerate(plotfiles): + + ds = CastroDataset(pf) + + f = "magvort" + + sp = yt.SlicePlot(ds, "y", f, origin="native", center=[xctr, yctr, zctr], + width=[L_z, L_x], fontsize="11") + sp.set_buff_size((4800,4800)) + sp.swap_axes() + + if f == "Temp": + sp.set_zlim(f, 5.e5, 5.e8) + sp.set_cmap(f, "magma_r") + elif f == "enuc": + sp.set_zlim(f, 1.e14, 1.e17) + sp.set_log(f, True) + sp.set_cmap(f, "plasma_r") + elif f == "density": + sp.set_zlim(f, 1.e-5, 5.e6) + elif f == "abar": + sp.set_zlim(f, 1, 8) + sp.set_log(f, False) + sp.set_cmap(f, "plasma_r") + elif f == "magvort": + sp.set_zlim(f, 2.0, 2.e5) + sp.set_log(f, True) + elif f.startswith(r"X("): + sp.set_zlim(f, 1.e-5, 1.0) + sp.set_log(f, True) + + sp.set_axes_unit("cm") + + sp.annotate_text((0.05, 0.05), "{:5.2f} ms".format(1000.0*float(ds.current_time.in_cgs())), + coord_system="figure", text_args={"color": "black", "size": 11}) + + plot = sp.plots[f] + plot.figure = fig + plot.axes = grid[i].axes + plot.cax = grid.cbar_axes[i] + if i < len(plotfiles)-1: + grid[i].axes.xaxis.offsetText.set_visible(False) + + sp._setup_plots() + + fig.set_size_inches(8, 6.5) + fig.subplots_adjust(left=0.05, right=0.95, top=0.95, bottom=0.05) + fig.tight_layout() + fig.savefig(f"xrb_{f}.png") + +if __name__ == "__main__": + + p = argparse.ArgumentParser() + + p.add_argument("--skip", type=int, default=1, + help="interval between plotfiles") + p.add_argument("plotfiles", type=str, nargs="+", + help="list of plotfiles to plot") + + args = p.parse_args() + + plot_prefix = args.plotfiles[0].split("plt")[0] + "plt" + plot_nums = sorted([p.split("plt")[1] for p in args.plotfiles], key=int) + + plotfiles = [] + for n in range(0, len(plot_nums), args.skip): + plotfiles.append("{}{}".format(plot_prefix, plot_nums[n])) + + doit(plotfiles) diff --git a/Exec/science/xrb_layered/analysis/vol-zvel.py b/Exec/science/xrb_layered/analysis/vol-zvel.py new file mode 100644 index 0000000000..013a772f75 --- /dev/null +++ b/Exec/science/xrb_layered/analysis/vol-zvel.py @@ -0,0 +1,99 @@ +#!/usr/bin/env python + +import sys + +import matplotlib +import numpy as np + +import yt +from yt.frontends.boxlib.api import CastroDataset +from yt.units import cm +#from yt.visualization.volume_rendering.render_source import VolumeSource +from yt.visualization.volume_rendering.api import Scene, create_volume_source + +matplotlib.use('agg') + +resolution = (1920, 1080) + +# this is for the wdconvect problem + +def doit(plotfile): + + ds = CastroDataset(plotfile) + ds._periodicity = (True, True, True) + + field = ('boxlib', 'z_velocity') + ds._get_field_info(field).take_log = False + + sc = Scene() + + + # add a volume: select a sphere + #center = (0, 0, 0) + #R = (5.e8, 'cm') + + #dd = ds.sphere(center, R) + + vol = create_volume_source(ds.all_data(), field=field) + sc.add_source(vol) + + + # transfer function + vals = [-1.e7, -5.e6, -2.5e6, 2.5e6, 5.e6, 1.e7] + sigma = 5.e5 + + tf = yt.ColorTransferFunction((min(vals), max(vals))) + + tf.clear() + + cmap = "coolwarm" + + for v in vals: + tf.sample_colormap(v, sigma**2, alpha=0.2, colormap=cmap) + + sc.get_source(0).transfer_function = tf + + cam = sc.add_camera(ds, lens_type="perspective") + cam.resolution = resolution + + # view 1 + + center = 0.5*(ds.domain_left_edge + ds.domain_right_edge) + + cam.position = [2.5*ds.domain_right_edge[0], + 2.5*ds.domain_right_edge[1], + center[2]+0.25*ds.domain_right_edge[2]] + + # look toward the center -- we are dealing with an octant + normal = (center - cam.position) + normal /= np.sqrt(normal.dot(normal)) + + cam.switch_orientation(normal_vector=normal, + north_vector=[0., 0., 1.]) + cam.set_width(ds.domain_width) + + sc.camera = cam + + sc.save(f"{plotfile}_zvel.png", sigma_clip=4.0) + + sc.annotate_axes(alpha=0.005, thickness=6) + sc.annotate_domain(ds, color=np.array([0.05, 0.05, 0.05, 0.05])) + sc.save(f"{plotfile}_zvel_axes.png", sigma_clip=3.0) + + sc.save_annotated(f"{plotfile}_zvel_annotated.png", + sigma_clip=4.0, label_fmt="%.2f", + text_annotate=[[(0.05, 0.05), + f"t = {ds.current_time.d:7.5f} s", + dict(horizontalalignment="left")]]) + + +if __name__ == "__main__": + + # Choose a field + plotfile = "" + + + try: plotfile = sys.argv[1] + except: sys.exit("ERROR: no plotfile specified") + + doit(plotfile) diff --git a/Exec/science/xrb_layered/inputs_2d b/Exec/science/xrb_layered/inputs_2d index 2fe04eae09..2992aacaf8 100644 --- a/Exec/science/xrb_layered/inputs_2d +++ b/Exec/science/xrb_layered/inputs_2d @@ -7,7 +7,7 @@ geometry.is_periodic = 1 0 geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical geometry.prob_lo = 0.0 0.0 geometry.prob_hi = 3072 3072 -amr.n_cell = 128 128 +amr.n_cell = 256 256 # >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< # 0 = Interior 3 = Symmetry @@ -75,11 +75,14 @@ amr.plot_int = 1000 # number of timesteps between plotfiles amr.derive_plot_vars = ALL # PROBLEM PARAMETERS -problem.model_name = "toy_atm_hot_castro_3cm.hse" +problem.model_name = "toy_atm_hot_3cm.hse" problem.apply_perturbation = 1 -problem.model_shift = 300.0 +problem.H_min = 1.e-5 +problem.He_min = 1.e-5 + +problem.model_shift = 750.0 # MICROPHYSICS integrator.jacobian = 1 diff --git a/Exec/science/xrb_layered/inputs_2d.nonsquare b/Exec/science/xrb_layered/inputs_2d.nonsquare new file mode 100644 index 0000000000..2782d5aa7f --- /dev/null +++ b/Exec/science/xrb_layered/inputs_2d.nonsquare @@ -0,0 +1,96 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 1000000 +stop_time = 1000.0 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 1 0 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = 0.0 0.0 +geometry.prob_hi = 3072 3072 +amr.n_cell = 128 256 + +castro.allow_non_unit_aspect_zones = 1 +castro.domain_is_plane_parallel = 1 + +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +# 0 = Interior 3 = Symmetry +# 1 = Inflow 4 = SlipWall +# 2 = Outflow 5 = NoSlipWall +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +castro.lo_bc = 0 3 +castro.hi_bc = 0 2 + +castro.fill_ambient_bc = 1 +castro.ambient_fill_dir = 1 +castro.ambient_outflow_vel = 1 + + +# WHICH PHYSICS +castro.do_hydro = 1 +castro.do_react = 1 +castro.add_ext_src = 0 +castro.do_grav = 1 +castro.do_sponge = 1 + +castro.ppm_type = 1 +castro.grav_source_type = 2 +castro.use_pslope = 1 +castro.pslope_cutoff_density = 1.e4 + +gravity.gravity_type = ConstantGrav +gravity.const_grav = -1.29e14 + +# burning +castro.react_rho_min = 1.e2 +castro.react_T_min = 5.e6 + + +# TIME STEP CONTROL +castro.cfl = 0.8 # cfl number for hyperbolic system +castro.init_shrink = 0.1 # scale back initial timestep +castro.change_max = 1.1 # max time step growth + +# SPONGE +castro.sponge_upper_density = 1.e3 +castro.sponge_lower_density = 1.e2 +castro.sponge_timescale = 1.0e-7 + +# DIAGNOSTICS & VERBOSITY +castro.sum_interval = 1 # timesteps between computing mass +castro.v = 1 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp + +# REFINEMENT / REGRIDDING +amr.max_level = 1 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 8 # block factor in grid generation +amr.max_grid_size = 256 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# CHECKPOINT FILES +amr.check_file = xrb_chk # root name of checkpoint file +amr.check_int = 1000 # number of timesteps between checkpoints + +# PLOTFILES +amr.plot_file = xrb_plt # root name of plotfile +amr.plot_per = 0.001 +amr.derive_plot_vars = ALL + +# PROBLEM PARAMETERS +problem.model_name = "toy_atm_hot_3cm.hse" + +problem.apply_perturbation = 1 + +problem.model_shift = 750.0 + +problem.H_min = -1 +problem.He_min = -1 + +# MICROPHYSICS +integrator.jacobian = 1 + +integrator.atol_spec = 1.e-6 +integrator.rtol_spec = 1.e-6 + +integrator.X_reject_buffer = 4.0 diff --git a/Exec/science/xrb_layered/inputs_3d.nonsquare b/Exec/science/xrb_layered/inputs_3d.nonsquare new file mode 100644 index 0000000000..a0289b408e --- /dev/null +++ b/Exec/science/xrb_layered/inputs_3d.nonsquare @@ -0,0 +1,103 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 50000000 +stop_time = 1000.0 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 1 1 0 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = 0.0 0.0 0.0 +geometry.prob_hi = 3072 3072 3072 +amr.n_cell = 128 128 256 + +castro.allow_non_unit_aspect_zones = 1 +castro.domain_is_plane_parallel = 1 + +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +# 0 = Interior 3 = Symmetry +# 1 = Inflow 4 = SlipWall +# 2 = Outflow 5 = NoSlipWall +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +castro.lo_bc = 0 0 3 +castro.hi_bc = 0 0 2 + +castro.fill_ambient_bc = 1 +castro.ambient_fill_dir = 2 +castro.ambient_outflow_vel = 1 + + +# WHICH PHYSICS +castro.do_hydro = 1 +castro.do_react = 1 +castro.add_ext_src = 0 +castro.do_grav = 1 +castro.do_sponge = 1 + +castro.ppm_type = 1 +castro.grav_source_type = 2 +castro.use_pslope = 1 +castro.pslope_cutoff_density = 1.e4 + +gravity.gravity_type = ConstantGrav +gravity.const_grav = -1.29e14 + +# burning +castro.react_rho_min = 1.e2 +castro.react_T_min = 5.e6 + + +# TIME STEP CONTROL +castro.cfl = 0.8 # cfl number for hyperbolic system +castro.init_shrink = 0.1 # scale back initial timestep +castro.change_max = 1.1 # max time step growth + +# SPONGE +castro.sponge_upper_density = 1.e3 +castro.sponge_lower_density = 1.e2 +castro.sponge_timescale = 1.0e-7 + +# DIAGNOSTICS & VERBOSITY +castro.sum_interval = 10 # timesteps between computing mass +castro.v = 1 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp + +# REFINEMENT / REGRIDDING +amr.max_level = 1 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 8 # block factor in grid generation +amr.max_grid_size = 256 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# CHECKPOINT FILES +amr.check_file = xrb_chk # root name of checkpoint file +amr.check_int = 1000 # number of timesteps between checkpoints + +# PLOTFILES +amr.plot_file = xrb_plt # root name of plotfile +amr.plot_per = 0.001 +amr.derive_plot_vars = ALL + +amr.small_plot_file = xrb_smallplt # root name of plotfile +amr.small_plot_per = 2.e-4 # number of timesteps between plotfiles +amr.small_plot_vars = density Temp +amr.derive_small_plot_vars = abar enuc MachNumber magvel magvort pressure + +fab.format = NATIVE_32 + +# PROBLEM PARAMETERS +problem.model_name = "toy_atm_hot_3cm.hse" + +problem.apply_perturbation = 1 + +problem.model_shift = 750.0 + +problem.H_min = -1 +problem.He_min = -1 + +# MICROPHYSICS +integrator.jacobian = 1 + +integrator.atol_spec = 1.e-6 +integrator.rtol_spec = 1.e-6 + +integrator.X_reject_buffer = 4.0 diff --git a/Exec/science/xrb_layered/problem_initialize.H b/Exec/science/xrb_layered/problem_initialize.H index c841644c90..e54d700d72 100644 --- a/Exec/science/xrb_layered/problem_initialize.H +++ b/Exec/science/xrb_layered/problem_initialize.H @@ -67,4 +67,3 @@ void problem_initialize () } #endif - diff --git a/Exec/science/xrb_layered/problem_initialize_state_data.H b/Exec/science/xrb_layered/problem_initialize_state_data.H index 3eb8db2ecd..0f7366f52d 100644 --- a/Exec/science/xrb_layered/problem_initialize_state_data.H +++ b/Exec/science/xrb_layered/problem_initialize_state_data.H @@ -36,7 +36,11 @@ void problem_initialize_state_data (int i, int j, int k, height += problem::model_shift; state(i,j,k,URHO) = interpolate(height, model::idens); - state(i,j,k,UTEMP) = interpolate(height, model::itemp); + state(i,j,k,UTEMP) = interpolate(height, model::itemp); // this will be an initial guess + Real p_zone = interpolate(height, model::ipres); + + // interpolate species as mass fractions and make sure they sum to + // 1. Later we will convert to densities. Real sumX{0.0}; for (int n = 0; n < NumSpec; ++n) { @@ -44,7 +48,6 @@ void problem_initialize_state_data (int i, int j, int k, sumX += state(i,j,k,UFS+n); } - // make sure the species sum to 1 for (int n = 0; n < NumSpec; ++n) { state(i,j,k,UFS+n) /= sumX; } @@ -52,12 +55,15 @@ void problem_initialize_state_data (int i, int j, int k, eos_t eos_state; eos_state.rho = state(i,j,k,URHO); eos_state.T = state(i,j,k,UTEMP); + eos_state.p = p_zone; + for (int n = 0; n < NumSpec; n++) { eos_state.xn[n] = state(i,j,k,UFS+n); } - eos(eos_input_rt, eos_state); + eos(eos_input_rp, eos_state); + state(i,j,k,UTEMP) = eos_state.T; state(i,j,k,UEINT) = state(i,j,k,URHO) * eos_state.e; state(i,j,k,UEDEN) = state(i,j,k,UEINT); diff --git a/Exec/science/xrb_layered/problem_tagging.H b/Exec/science/xrb_layered/problem_tagging.H index ba6df82bc1..a9f0431729 100644 --- a/Exec/science/xrb_layered/problem_tagging.H +++ b/Exec/science/xrb_layered/problem_tagging.H @@ -1,6 +1,8 @@ #ifndef problem_tagging_H #define problem_tagging_H +#include + AMREX_GPU_HOST_DEVICE AMREX_INLINE void problem_tagging(int i, int j, int k, Array4 const& tag, @@ -10,7 +12,9 @@ void problem_tagging(int i, int j, int k, // Tag on regions of with H > H_min and rho < cutoff_density. // Note that H is the first species variable and so is in index UFS of the state array. - if (state(i,j,k,URHO) > problem::cutoff_density && state(i,j,k,UFS) > problem::H_min) { + if (state(i,j,k,URHO) > problem::cutoff_density && + (state(i,j,k,UFS) > state(i,j,k,URHO) * problem::H_min || + state(i,j,k,UFS+1) > state(i,j,k,URHO) * problem::He_min)) { tag(i,j,k) = TagBox::SET; } } diff --git a/Exec/science/xrb_layered/toy_atm_hot_castro_3cm.hse b/Exec/science/xrb_layered/toy_atm_hot_3cm.hse similarity index 59% rename from Exec/science/xrb_layered/toy_atm_hot_castro_3cm.hse rename to Exec/science/xrb_layered/toy_atm_hot_3cm.hse index 9720c40dff..9fc264a901 100644 --- a/Exec/science/xrb_layered/toy_atm_hot_castro_3cm.hse +++ b/Exec/science/xrb_layered/toy_atm_hot_3cm.hse @@ -24,1027 +24,1027 @@ # magnesium-22 # magnesium-24 # iron-56 - 1.5 12227838.4465 200000000 9.7620136297e+23 1e-10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 - 4.5 12186803.4481 200000000 9.71477129763e+23 1e-10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 - 7.5 12145849.3925 200000000 9.66768761439e+23 1e-10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 - 10.5 12104976.222 200000000 9.62076226682e+23 1e-10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 - 13.5 12064183.8321 200000000 9.57399494212e+23 1e-10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 - 16.5 12023472.144 200000000 9.5273853278e+23 1e-10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 - 19.5 11982841.1037 200000000 9.48093311167e+23 1e-10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 - 22.5 11942290.6552 200000000 9.43463798172e+23 1e-10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 - 25.5 11901820.7401 200000000 9.38849962617e+23 1e-10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 - 28.5 11861431.2982 200000000 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