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(Atomic) Boundary Condition Patches
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‎.github/workflows/frontier/build.sh‎

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@@ -1,4 +1,4 @@
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#!/bin/bash
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. ./mfc.sh load -c f -m g
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./mfc.sh build -j 8 --gpu
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./mfc.sh test --dry-run -j 8 --gpu

‎.github/workflows/phoenix/test.sh‎

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@@ -5,7 +5,7 @@ if [ "$job_device" == "gpu" ]; then
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build_opts="--gpu"
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fi
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./mfc.sh build -j 8 $build_opts
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./mfc.sh test --dry-run -j 8 $build_opts
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n_test_threads=8
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‎.github/workflows/test.yml‎

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@@ -84,7 +84,7 @@ jobs:
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- name: Build
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run: |
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if [ '${{ matrix.intel }}' == 'true' ]; then . /opt/intel/oneapi/setvars.sh; fi
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/bin/bash mfc.sh build -j $(nproc) --${{ matrix.debug }} --${{ matrix.mpi }}
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/bin/bash mfc.sh test --dry-run -j $(nproc) --${{ matrix.debug }} --${{ matrix.mpi }}
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- name: Test
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run: |

‎CMakeLists.txt‎

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@@ -335,7 +335,7 @@ macro(HANDLE_SOURCES target useCommon)
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add_custom_command(
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OUTPUT ${f90}
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COMMAND ${FYPP_EXE} -m re
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COMMAND ${FYPP_EXE} -m re -m itertools
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-I "${CMAKE_BINARY_DIR}/include/${target}"
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-I "${${target}_DIR}/include"
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-I "${common_DIR}/include"

‎examples/1D_impact/case.py‎

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@@ -25,7 +25,7 @@
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'dt' : mydt,
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't_step_start' : 0,
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't_step_stop' : int(Nt),
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't_step_save' : int(math.ceil(Nt/1.)),
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't_step_save' : 1,
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# ==========================================================
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# Simulation Algorithm Parameters ==========================

‎examples/1D_inert_shocktube/export.py‎

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import csv
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import numpy as np
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import statistics
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from tqdm import tqdm
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import mfc.viz
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from case import dt, sol_L as sol
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case = mfc.viz.Case(".", dt)
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for name in tqdm(sol.species_names, desc="Loading Variables"):
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case.load_variable(f"Y_{name}", f"prim.{5 + sol.species_index(name)}")
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case.load_variable("rho", "prim.1")
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case.load_variable("u", "prim.2")
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case.load_variable("p", "prim.3")
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case.load_variable("T", "prim.15")
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steps = case.get_timesteps()
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for step in [min(steps), max(steps)]:
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t = step * dt
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24+
with open(f"mfc-{step}.csv", "w") as f:
25+
writer = csv.writer(f)
26+
keys = ['x'] + list(set(case.get_data()[0].keys()) - set(["x"]))
27+
writer.writerow(keys)
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for ix, x in enumerate(sorted(case.get_coords()[0])):
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row = [case.get_data()[step][key][ix] for key in keys]
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writer.writerow(row)

‎examples/1D_reactive_shocktube/export.py‎

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import csv
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import numpy as np
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import statistics
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from tqdm import tqdm
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6+
import mfc.viz
7+
from case import dt, sol_L as sol
8+
9+
10+
case = mfc.viz.Case(".", dt)
11+
12+
for name in tqdm(sol.species_names, desc="Loading Variables"):
13+
case.load_variable(f"Y_{name}", f"prim.{5 + sol.species_index(name)}")
14+
case.load_variable("rho", "prim.1")
15+
case.load_variable("u", "prim.2")
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case.load_variable("p", "prim.3")
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case.load_variable("T", "prim.15")
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19+
steps = case.get_timesteps()
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21+
for step in [min(steps), max(steps)]:
22+
t = step * dt
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with open(f"mfc-{step}.csv", "w") as f:
25+
writer = csv.writer(f)
26+
keys = ['x'] + list(set(case.get_data()[0].keys()) - set(["x"]))
27+
writer.writerow(keys)
28+
for ix, x in enumerate(sorted(case.get_coords()[0])):
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row = [case.get_data()[step][key][ix] for key in keys]
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writer.writerow(row)

‎examples/2D_advection/case.py‎

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@@ -2,6 +2,8 @@
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import json
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L = 1.0
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# Configuring case dictionary
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print(json.dumps({
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# Logistics ================================================
@@ -10,9 +12,9 @@
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1113
# Computational Domain Parameters ==========================
1214
'x_domain%beg' : 0.E+00,
13-
'x_domain%end' : 1.E+00,
15+
'x_domain%end' : L,
1416
'y_domain%beg' : 0.E+00,
15-
'y_domain%end' : 1.E+00,
17+
'y_domain%end' : L,
1618
'm' : 99,
1719
'n' : 99,
1820
'p' : 0,
@@ -46,6 +48,21 @@
4648
'bc_y%end' : -3,
4749
# ==========================================================
4850

51+
'num_bc_patches' : 2,
52+
'patch_bc(1)%type' : -1,
53+
'patch_bc(1)%geometry' : 1,
54+
'patch_bc(1)%dir' : 1,
55+
'patch_bc(1)%loc' : -1,
56+
'patch_bc(1)%centroid(2)' : L/2,
57+
'patch_bc(1)%length(2)' : L/2,
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59+
'patch_bc(2)%type' : -1,
60+
'patch_bc(2)%geometry' : 1,
61+
'patch_bc(2)%dir' : 1,
62+
'patch_bc(2)%loc' : +1,
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'patch_bc(2)%centroid(2)' : L/2,
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'patch_bc(2)%length(2)' : L/2,
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4966
# Formatted Database Files Structure Parameters ============
5067
'format' : 1,
5168
'precision' : 2,
@@ -60,7 +77,7 @@
6077
'patch_icpp(1)%length_x' : 1.E+00,
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'patch_icpp(1)%length_y' : 1.E+00,
6279
'patch_icpp(1)%vel(1)' : 100.E+00,
63-
'patch_icpp(1)%vel(2)' : 100.E+00,
80+
'patch_icpp(1)%vel(2)' : 0.E+00,
6481
'patch_icpp(1)%pres' : 1.E+05,
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'patch_icpp(1)%alpha_rho(1)' : 1000.E+00,
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'patch_icpp(1)%alpha_rho(2)' : 1.,

‎examples/2D_riemann_test/case.py‎

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@@ -19,8 +19,8 @@
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'p' : 0,
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'dt' : 8e-05,
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't_step_start' : 0,
22-
't_step_stop' : 10000,
23-
't_step_save' : 100,
22+
't_step_stop' : 10000//1000,
23+
't_step_save' : 10,
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# ==========================================================
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# Simulation Algorithm Parameters ==========================

‎examples/hypotests/case.py‎

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#!/usr/bin/env python3
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import math
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import json
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# Numerical setup
6+
Nx = 201 # Number of grid points in x
7+
Ny = 201 # Number of grid points in y
8+
dx = 1./(1.*(Nx+1)) # Grid spacing in x
9+
dy = 1./(1.*(Ny+1)) # Grid spacing in y
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11+
Tend = 64E-06 # End time
12+
Nt = 2000 # 2000 # Number of time steps
13+
mydt = Tend/(1.*Nt) # Time step size
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15+
# Configuring case dictionary
16+
print(json.dumps({
17+
# Logistics ================================================
18+
'run_time_info' : 'F',
19+
# ==========================================================
20+
21+
# Computational Domain Parameters ==========================
22+
'x_domain%beg' : 0.E+00, # x start
23+
'x_domain%end' : 2.E+00, # x end
24+
'y_domain%beg' : 0.E+00, # y start
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'y_domain%end' : 1.E+00, # y end
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'm' : Nx, # Number of grid points in x direction
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'n' : Ny, # Number of grid points in y direction
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'p' : 0, # Number of grid points in z (for 3D, change this)
29+
'dt' : 1e-6, # Time step size
30+
't_step_start' : 0, # Start time
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't_step_stop' : Nt, # End time
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't_step_save' : 10, # Save frequency
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# ==========================================================
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35+
# Simulation Algorithm Parameters ==========================
36+
'num_patches' : 1, # Two patches
37+
'model_eqns' : 2, # Number of model equations
38+
'alt_soundspeed' : 'F',
39+
'num_fluids' : 2,
40+
'low_Mach' : 0,
41+
'mpp_lim' : 'F',
42+
# ' mixture_err' : 'F',
43+
'time_stepper' : 3,
44+
'weno_order' : 5,
45+
'weno_eps' : 1.E-16,
46+
'weno_Re_flux' : 'F',
47+
'weno_avg' : 'F',
48+
'mapped_weno' : 'F',
49+
'null_weights' : 'F',
50+
'mp_weno' : 'F',
51+
'riemann_solver' : 1,
52+
'wave_speeds' : 1,
53+
'avg_state' : 2,
54+
'bc_x%beg' : -3,
55+
'bc_x%end' : -3,
56+
'bc_y%beg' : -3, # Boundary conditions for y direction
57+
'bc_y%end' : -3,
58+
'num_bc_patches' : 1,
59+
'patch_bc(1)%type' : -17,
60+
'patch_bc(1)%dir' : 1,
61+
'patch_bc(1)%loc' : -1,
62+
'patch_bc(1)%geometry' : 1,
63+
'patch_bc(1)%centroid(1)' : 0,
64+
'patch_bc(1)%centroid(2)' : 0.5,
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'patch_bc(1)%length(2)' : 0.26,
66+
'patch_bc(1)%vel(1)' : 10,
67+
'patch_bc(1)%vel(2)' : 0,
68+
# ==========================================================
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70+
# Turning on IB ================================
71+
'ib' : 'T',
72+
'num_ibs' : 2,
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74+
# ==========================================================
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76+
# Formatted Database Files Structure Parameters ============
77+
'format' : 1,
78+
'precision' : 2,
79+
'prim_vars_wrt' :'T',
80+
'parallel_io' :'F',
81+
# ==========================================================
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83+
# Patch 1 (background flow) ===================
84+
'patch_icpp(1)%geometry' : 3, # 2D geometry
85+
'patch_icpp(1)%x_centroid' : 1.0, # x-center
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'patch_icpp(1)%y_centroid' : 0.5, # y-center
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'patch_icpp(1)%length_x' : 2.0, # x-length
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'patch_icpp(1)%length_y' : 1.0, # y-length
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'patch_icpp(1)%vel(1)' : 0.0,
90+
'patch_icpp(1)%vel(2)' : 0.0, # y-velocity '100*sin(3*x*pi)'
91+
'patch_icpp(1)%pres' : 1.E5, # Pressure
92+
'patch_icpp(1)%alpha_rho(1)' : 1000, # Density
93+
'patch_icpp(1)%alpha_rho(2)' : 0.,
94+
'patch_icpp(1)%alpha(1)' : 1,
95+
'patch_icpp(1)%alpha(2)' : 0.,
96+
'patch_icpp(1)%tau_e(1)' : 0.0,
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99+
# ==========================================================
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101+
# Patch 2 (hypo material in the center) ================
102+
'patch_ib(1)%geometry' : 3, # 2D geometry
103+
# 'patch_ib(1)%hcid' : 201,
104+
'patch_ib(1)%x_centroid' : 0.5, # x-center
105+
'patch_ib(1)%y_centroid' : 0.65, # y-center
106+
'patch_ib(1)%length_x' : 1.0, # x-length
107+
'patch_ib(1)%length_y' : 0.04, # y-length
108+
'patch_ib(1)%slip' : 'T',
109+
110+
# ==========================================================
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112+
# Patch 3 (hypo material in the center) ================
113+
'patch_ib(2)%geometry' : 3, # 2D geometry
114+
# 'patch_ib(1)%hcid' : 201,
115+
'patch_ib(2)%x_centroid' : 0.5, # x-center
116+
'patch_ib(2)%y_centroid' : 0.35, # y-center
117+
'patch_ib(2)%length_x' : 1.0, # x-length
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'patch_ib(2)%length_y' : 0.04, # y-length
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'patch_ib(2)%slip' : 'T',
120+
121+
# Fluids Physical Parameters ===============================
122+
'fluid_pp(1)%gamma' : 1.E+00/(6.12E+00-1.E+00),
123+
'fluid_pp(1)%pi_inf' : 6.12E+00*3.43E+08/(6.12E+00 - 1.E+00),
124+
# 'fluid_pp(1)%G' : 0,
125+
'fluid_pp(2)%gamma' : 1.E+00/(1.3E+00-1.E+00),
126+
'fluid_pp(2)%pi_inf' : 1.3E+00*2.E+08/(1.3E+00 - 1.E+00),
127+
# 'fluid_pp(2)%G' : 2.7E+05/(2.E+00*(1.E+00 + 0.4E+00)),
128+
'fluid_pp(2)%G' : 1.E7,
129+
# ==========================================================
130+
}))

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