Phase-3: Riemann hot-path decomposition into shared GPU device helpers

benchmarks/5eq_rk3_weno3_hll/case.py

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+#!/usr/bin/env python3
+# Benchmark model_equations_2_time_stepper_3_weno_order_3_riemann_solver_hll
+# Additional Benchmarked Features
+# - model_equations : 2
+# - time_stepper : 3
+# - weno_order : 3
+# - riemann_solver : hll
+
+import argparse
+import json
+import math
+
+parser = argparse.ArgumentParser(prog="Benchmarking Case 1", description="This MFC case was created for the purposes of benchmarking MFC.", formatter_class=argparse.ArgumentDefaultsHelpFormatter)
+
+parser.add_argument("--mfc", type=json.loads, default="{}", metavar="DICT", help="MFC's toolchain's internal state.")
+parser.add_argument("--gbpp", type=int, metavar="MEM", default=16, help="Adjusts the problem size per rank to fit into [MEM] GB of GPU memory per GPU.")
+parser.add_argument("--steps", type=int, default=None, help="Override t_step_stop/t_step_save.")
+
+ARGS = vars(parser.parse_args())
+DICT = ARGS["mfc"]
+
+size = 1 if DICT["gpu"] else 0
+
+ppg = 8000000 / 16.0
+procs = DICT["nodes"] * DICT["tasks_per_node"]
+ncells = math.floor(ppg * procs * ARGS["gbpp"])
+s = math.floor((ncells / 2.0) ** (1 / 3))
+Nx, Ny, Nz = 2 * s, s, s
+
+# athmospheric pressure - Pa (used as reference value)
+patm = 101325
+
+# Initial Droplet Diameter / Reference length - m
+D0 = 1.0e-3
+
+# cavity to droplet ratio
+CtD = 0.06
+
+# cavity relative eccentricity (distance between radii)
+ecc = 0.564
+
+# initial shock distance from the y axis. Note that the droplet center is located at y = 0. Thus, the distance from the shock to
+# the droplet is about D0/8
+ISD = 5.0 / 8 * D0
+
+# pre-shock properties - AIR
+
+# pressure - Pa
+p0a = patm
+
+# density - kg/m3
+rho0a = 1.204
+
+# gamma
+gama = 1.40
+
+# pi infinity - Pa
+pia = 0
+
+# speed of sound - M/s
+c_a = math.sqrt(gama * (p0a + pia) / rho0a)
+
+# Droplet - WATER
+
+# surface tension - N / m
+st = 0.00e0
+
+# Delta Pressure - Pa
+DP = -st * 4 / D0
+
+# initial pressure inside the droplet - Pa
+p0w = p0a - DP
+
+# density - kg/m3
+rho0w = 1000
+
+# gama
+gamw = 6.12
+
+# pi infty - Pa
+piw = 3.43e08
+
+# speed of sound - m/s
+c_w = math.sqrt(gamw * (p0w + piw) / rho0w)
+
+# Shock Mach number of interest. Note that the post-shock properties can be defined in terms of either
+# Min or psOp0a. Just comment/uncomment appropriately
+Min = 2.4
+
+# Pos to pre shock ratios - AIR
+
+# pressure
+psOp0a = (Min**2 - 1) * 2 * gama / (gama + 1) + 1
+# psOp0a = 4.5
+
+# density
+rhosOrho0a = (1 + (gama + 1) / (gama - 1) * psOp0a) / ((gama + 1) / (gama - 1) + psOp0a)
+
+# Mach number of the shocked region - just a checker, as it must return "Min"
+Ms = math.sqrt((gama + 1.0) / (2.0 * gama) * (psOp0a - 1.0) * (p0a / (p0a + pia)) + 1.0)
+
+# shock speed of sound - m/s
+ss = Ms * c_a
+
+# post-shock - AIR
+
+# pressure - Pa
+ps = psOp0a * p0a
+
+# density - kg / m3
+rhos = rhosOrho0a * rho0a
+
+# post shock speed of sound - m/s
+c_s = math.sqrt(gama * (ps + pia) / rhos)
+
+# velocity at the post shock - m/s
+vel = c_a / gama * (psOp0a - 1.0) * p0a / (p0a + pia) / Ms
+
+# Domain boundaries - m
+
+# x direction
+xb = -8.4707 * D0
+xe = 9.6226 * D0
+
+# xb = -10 * D0
+# xe = 10 * D0
+
+# y direction
+yb = 0 * D0
+ye = 10 * D0
+
+# y direction
+zb = 0 * D0
+ze = 10 * D0
+
+# Stretching factor, to make sure the domaing is sufficiently large after the mesh stretch
+StF = 4.0
+
+# grid delta x if mesh were uniform in x direction - m. Note that I do not need a measure for dy
+dx = (xe - xb) / Nx
+
+# I calculate tend twice; first is an estimate, second is
+# the actual value used. This is because I am getting errors in the
+# post process part every time I approximate the actual Nt by an integer
+# number (think of a smarter way).
+
+# dimensionless time
+ttilde = 1.92
+
+# auxiliary simulation physical time - s. This is not YET the total simulation time, as it will be corrected so as to avoid
+# mismatches in simulation and post_process parts. Note that I wrote it this way so I have better control over the # of autosaves
+tendA = ttilde * D0 / vel
+
+cfl = 0.1
+
+# time-step - s
+dt = dx * cfl / ss
+
+# Save Frequency. Note that the number of autosaves will be SF + 1, as th IC (0.dat) is also saved
+SF = 400
+
+# making Nt divisible by SF
+# 1 - ensure NtA goes slightly beyond tendA
+NtA = int(tendA // dt + 1)
+
+# Array of saves. It is the same as Nt/Sf = t_step_save
+AS = int(NtA // SF + 1)
+
+# Nt = total number of steps. Note that Nt >= NtA (so at least tendA is completely simulated)
+Nt = AS * SF
+
+# total simulation time - s. Note that tend >= tendA
+tend = Nt * dt
+
+# Configuring case dictionary
+print(
+    json.dumps(
+        {
+            # Logistics
+            "run_time_info": "F",
+            # Computational Domain Parameters
+            "x_domain%beg": xb,
+            "x_domain%end": xe,
+            "y_domain%beg": yb,
+            "y_domain%end": ye,
+            "z_domain%beg": zb,
+            "z_domain%end": ze,
+            "m": Nx,
+            "n": Ny,
+            "p": Nz,
+            "cyl_coord": "F",
+            "dt": dt,
+            "t_step_start": 0,
+            "t_step_stop": ARGS["steps"] if ARGS["steps"] is not None else int(2 * (5 * size + 5)),
+            "t_step_save": ARGS["steps"] if ARGS["steps"] is not None else int(2 * (5 * size + 5)),
+            # Simulation Algorithm Parameters
+            "num_patches": 3,
+            "model_eqns": 2,
+            "alt_soundspeed": "F",
+            "num_fluids": 2,
+            "mpp_lim": "T",
+            "mixture_err": "T",
+            "time_stepper": 3,
+            "weno_order": 3,
+            "weno_eps": 1.0e-16,
+            "weno_Re_flux": "F",
+            "weno_avg": "F",
+            "mapped_weno": "T",
+            "riemann_solver": "hll",
+            "wave_speeds": 1,
+            "avg_state": 2,
+            "bc_x%beg": -6,
+            "bc_x%end": -6,
+            "bc_y%beg": -2,
+            "bc_y%end": -3,
+            "bc_z%beg": -2,
+            "bc_z%end": -3,
+            # Formatted Database Files Structure Parameters
+            "format": 1,
+            "precision": 2,
+            "prim_vars_wrt": "T",
+            "parallel_io": "F",
+            # I will use 1 for WATER properties, and 2 for AIR properties
+            # Patch 1: Background (AIR - 2)
+            "patch_icpp(1)%geometry": 9,
+            "patch_icpp(1)%x_centroid": (xb + xe) / 2 * StF,
+            "patch_icpp(1)%y_centroid": (yb + ye) / 2 * StF,
+            "patch_icpp(1)%z_centroid": (yb + ye) / 2 * StF,
+            "patch_icpp(1)%length_x": (xe - xb) * StF,
+            "patch_icpp(1)%length_y": (ye - yb) * StF,
+            "patch_icpp(1)%length_z": (ze - zb) * StF,
+            "patch_icpp(1)%vel(1)": 0.0e00,
+            "patch_icpp(1)%vel(2)": 0.0e00,
+            "patch_icpp(1)%vel(3)": 0.0e00,
+            "patch_icpp(1)%pres": p0a,
+            "patch_icpp(1)%alpha_rho(1)": 0.0e00,
+            "patch_icpp(1)%alpha_rho(2)": rho0a,
+            "patch_icpp(1)%alpha(1)": 0.0e00,
+            "patch_icpp(1)%alpha(2)": 1.0e00,
+            # Patch 2: Shocked state (AIR - 2)
+            "patch_icpp(2)%geometry": 9,
+            "patch_icpp(2)%alter_patch(1)": "T",
+            "patch_icpp(2)%x_centroid": -ISD - (xe - xb) / 2 * StF,
+            "patch_icpp(2)%y_centroid": (yb + ye) / 2 * StF,
+            "patch_icpp(2)%z_centroid": (zb + ze) / 2 * StF,
+            "patch_icpp(2)%length_x": (xe - xb) * StF,
+            "patch_icpp(2)%length_y": (ye - yb) * StF,
+            "patch_icpp(2)%length_z": (ze - zb) * StF,
+            "patch_icpp(2)%vel(1)": vel,
+            "patch_icpp(2)%vel(2)": 0.0e00,
+            "patch_icpp(2)%vel(3)": 0.0e00,
+            "patch_icpp(2)%pres": ps,
+            "patch_icpp(2)%alpha_rho(1)": 0.0e00,
+            "patch_icpp(2)%alpha_rho(2)": rhos,
+            "patch_icpp(2)%alpha(1)": 0.0e00,
+            "patch_icpp(2)%alpha(2)": 1.0e00,
+            # Patch 3: Droplet (WATER - 1)
+            "patch_icpp(3)%geometry": 8,
+            "patch_icpp(3)%x_centroid": 0.0e00,
+            "patch_icpp(3)%y_centroid": 0.0e00,
+            "patch_icpp(3)%z_centroid": 0.0e00,
+            "patch_icpp(3)%radius": D0 / 2,
+            "patch_icpp(3)%alter_patch(1)": "T",
+            "patch_icpp(3)%vel(1)": 0.0e00,
+            "patch_icpp(3)%vel(2)": 0.0e00,
+            "patch_icpp(3)%vel(3)": 0.0e00,
+            "patch_icpp(3)%pres": p0w,
+            "patch_icpp(3)%alpha_rho(1)": rho0w,
+            "patch_icpp(3)%alpha_rho(2)": 0.0e00,
+            "patch_icpp(3)%alpha(1)": 1.0e00,
+            "patch_icpp(3)%alpha(2)": 0.0e00,
+            # Fluids Physical Parameters
+            "fluid_pp(1)%gamma": 1.0e00 / (gamw - 1),
+            "fluid_pp(1)%pi_inf": gamw * piw / (gamw - 1),
+            "fluid_pp(2)%gamma": 1.0e00 / (gama - 1),
+            "fluid_pp(2)%pi_inf": gama * pia / (gama - 1),
+        }
+    )
+)