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AMReX-Combustion / PeleC

An AMR code for compressible reacting flow simulations
https://amrex-combustion.github.io/PeleC
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Troubleshooting zero pressure gradient flat plate #782

Closed JhonCordova closed 7 months ago

JhonCordova commented 7 months ago

I'm attempting to simulate the zero pressure gradient flat plate, but I'm encountering these sorts of issues:

Initializing AMReX (24.02-31-g97512176d8e5)...
MPI initialized with 8 MPI processes
MPI initialized with thread support level 0
Initializing SUNDIALS with 1 threads...
SUNDIALS initialized.
AMReX (24.02-31-g97512176d8e5) initialized

Starting run at 12:42:51 UTC on 2024-04-16.
Successfully read inputs file ... 

PeleC git hash: 57d285f-dirty
AMReX git hash: 24.02-31-g97512176d
PelePhysics git hash: v23.03-98-g50b990b8
AMReX-Hydro git hash: v6.6.2

0 Advected Variables: 

2 Species: 
O2  N2  
0 Auxiliary Variables: 

Initializing EB2
Successfully read inputs file ... 
Starting to call amrex_probinit ... 
Successfully run amrex_probinit
Initializing the data at level 0
Done initializing level 0 data 
...estimated hydro-limited timestep at level 0: 3.819262928e-09
PeleC::estTimeStep (hydro-limited) at level 0:  estdt = 3.819262928e-09

TIME = 0 MASS        = 0.0131625
TIME = 0 XMOM        = 1276.367625
TIME = 0 YMOM        = 0
TIME = 0 ZMOM        = 0
TIME = 0 RHO*e       = -32879765.95
TIME = 0 RHO*K       = 61884684.3
TIME = 0 RHO*E       = 29004918.35
TIME = 0 FUEL PROD   = 0

TIME = 0 density     MIN = 0.00013          MAX = 0.00013        
TIME = 0 x_velocity  MIN = 96970            MAX = 96970          
TIME = 0 y_velocity  MIN = 0                MAX = 0              
TIME = 0 z_velocity  MIN = 0                MAX = 0              
TIME = 0 eint_e      MIN = -2.4979879e+09   MAX = -2.4979879e+09 
TIME = 0 Temp        MIN = 65               MAX = 65             
TIME = 0 pressure    MIN = 24351.762        MAX = 24351.762      
TIME = 0 massfrac    MIN = 0.233            MAX = 0.767          
TIME = 0 sumYminus1  MIN = 0                MAX = 0              
INITIAL GRIDS 
  Level 0   12 grids  51840 cells  100 % of domain
            smallest grid: 24 x 12 x 12  biggest grid: 32 x 12 x 12

PLOTFILE: file = plt00000
Write plotfile time = 0.014758288  seconds

...estimated hydro-limited timestep at level 0: 3.819262928e-09
PeleC::estTimeStep (hydro-limited) at level 0:  estdt = 3.819262928e-09
[Level 0 step 1] ADVANCE at time 0 with dt = 3.819262928e-10
... Computing diffusion terms at t^(n)
... Computing Godunov hydro advance
... Computing diffusion terms at t^(n+1,1)
[Level 0 step 1] Advanced 51840 cells

TIME = 3.819262928e-10 MASS        = -nan
TIME = 3.819262928e-10 XMOM        = -nan
TIME = 3.819262928e-10 YMOM        = -nan
TIME = 3.819262928e-10 ZMOM        = -nan
TIME = 3.819262928e-10 RHO*e       = -nan
TIME = 3.819262928e-10 RHO*K       = -nan
TIME = 3.819262928e-10 RHO*E       = -nan
TIME = 3.819262928e-10 FUEL PROD   = 0

TIME = 3.819262928e-10 density     MIN = 0.00012999985    MAX = 0.00013000015  
TIME = 3.819262928e-10 x_velocity  MIN = 96798.606        MAX = 96970          
TIME = 3.819262928e-10 y_velocity  MIN = -1.4928767e-15   MAX = 0.020295172    
TIME = 3.819262928e-10 z_velocity  MIN = -1.4928767e-15   MAX = 1.7263186e-15  
TIME = 3.819262928e-10 eint_e      MIN = -2.4979879e+09   MAX = -2.435229e+09  
TIME = 3.819262928e-10 Temp        MIN = 65.119358        MAX = 74.27299       
TIME = 3.819262928e-10 pressure    MIN = 24396.478        MAX = 27825.784      
TIME = 3.819262928e-10 massfrac    MIN = 0.23299972       MAX = 0.76700028     
TIME = 3.819262928e-10 sumYminus1  MIN = 0                MAX = 0              

[STEP 1] Coarse TimeStep time: 0.06170619
[STEP 1] FAB kilobyte spread across MPI nodes: [26104 ... 40474]

STEP = 1 TIME = 3.819262928e-10 DT = 3.819262928e-10

 Signalling a stop because NaNs detected in the Solution
PLOTFILE: file = plt00001
Write plotfile time = 0.008538107  seconds

Ending run at 12:42:51 UTC on 2024-04-16.
Run time = 0.105028703
Run time w/o init = 0.07222554
Unused ParmParse Variables:
  [TOP]::amr.ref_ratio(nvals = 4)  :: [2, 2, 2, 2]
  [TOP]::amr.regrid_int(nvals = 4)  :: [2, 2, 2, 2]
  [TOP]:://prob.T_inf(nvals = 1)  :: [65.0]
  [TOP]:://prob.rho_inf(nvals = 1)  :: [0.00013]
  [TOP]:://prob.U_inf(nvals = 1)  :: [969.700]

AMReX (24.02-31-g97512176d8e5) finalized

can someone please help me? The files I am using to run the case are the following:

inputs.inp

max_step = 100
stop_time =  0.2

geometry.is_periodic = 0 0 1
geometry.coord_sys   = 0  # 0 => cart, 1 => RZ  2=>spherical
geometry.prob_lo     = 0.0 -0.75 -0.75
geometry.prob_hi     = 45.0 0.75 0.75
amr.n_cell           = 360 12 12

pelec.lo_bc       = "UserBC"  "NoSlipWall"   "Interior"
pelec.hi_bc       = "FOExtrap"  "Symmetry"   "Interior"

pelec.do_hydro = 1
pelec.do_mol = 0
pelec.diffuse_vel = 1
pelec.diffuse_temp = 1
pelec.diffuse_spec = 1
pelec.diffuse_enth = 1
pelec.do_react = 0
pelec.do_isothermal_walls = true
pelec.domlo_isothermal_temp = -1 422.5 -1
pelec.domhi_isothermal_temp = -1 -1 -1

pelec.cfl            = 0.1     # cfl number for hyperbolic system
pelec.init_shrink    = 0.1     # scale back initial timestep
pelec.change_max     = 1.05    # scale back initial timestep
pelec.dt_cutoff      = 5.e-20  # level 0 timestep below which we halt

pelec.sum_interval   = 1       # timesteps between computing mass
pelec.v              = 1       # verbosity in PeleC.cpp
amr.v                = 1       # verbosity in Amr.cpp
amr.data_log         = datlog

amr.max_level       = 0       # 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 = 4       # block factor in grid generation
amr.max_grid_size   = 64
amr.n_error_buf     = 12 8 2 2 # number of buffer cells in error est

amr.checkpoint_files_output = 0
amr.check_file      = chk        # root name of checkpoint file
amr.check_int       = 500        # number of timesteps between checkpoints

amr.plot_files_output = 1
amr.plot_file       = plt        # root name of plotfile
amr.plot_int        = 10       # number of timesteps between plotfiles
amr.plot_vars  =  ALL
amr.derive_plot_vars = ALL

tagging.refinement_indicators = yLow
tagging.yLow.in_box_lo = -0.1  -0.77  -0.75
tagging.yLow.in_box_hi =  55.1 -0.65   0.75

//prob.T_inf = 65.0
//prob.rho_inf = 0.00013
//prob.U_inf   = 969.700

eb2.geom_type = "all_regular"

prob.cpp

#include "prob.H"
#include <random>
#include <iostream>
void
pc_prob_close()
{
}

extern "C" {
void
amrex_probinit(
  const int* /*init*/,
  const int* /*name*/,
  const int* /*namelen*/,
  const amrex::Real* prob_lo,
  const amrex::Real* prob_hi)
{
  // Parse params
  amrex::ParmParse pp("prob");
  pp.query("T_inf", PeleC::h_prob_parm_device->T_inf);
  pp.query("rho_inf", PeleC::h_prob_parm_device->rho_inf);
  pp.query("U_inf", PeleC::h_prob_parm_device->U_inf);

  amrex::Real massfrac[NUM_SPECIES] = {0.0};
  massfrac[O2_ID] = PeleC::h_prob_parm_device->massfrac_O2;
  massfrac[N2_ID] = PeleC::h_prob_parm_device->massfrac_N2;

  auto eos = pele::physics::PhysicsType::eos();
  amrex::Real eint, cp_inf, Ec_inf;

  eos.RTY2P(PeleC::h_prob_parm_device->rho_inf, 
    PeleC::h_prob_parm_device->T_inf,
    massfrac,
    PeleC::h_prob_parm_device->P_inf);

   eos.RYP2E(PeleC::h_prob_parm_device->rho_inf, 
    massfrac,
    PeleC::h_prob_parm_device->P_inf,
    eint);

   eos.TY2Cp(PeleC::h_prob_parm_device->T_inf, 
    massfrac,
    cp_inf);

  Ec_inf = PeleC::h_prob_parm_device->U_inf *
           PeleC::h_prob_parm_device->U_inf / (
           cp_inf * PeleC::h_prob_parm_device->T_inf);

  PeleC::h_prob_parm_device->A = PeleC::h_prob_parm_device->A_norm *
                                 PeleC::h_prob_parm_device->U_inf;

  PeleC::h_prob_parm_device->zw = prob_hi[2] - prob_lo[2];

  PeleC::h_prob_parm_device->dforce = PeleC::h_prob_parm_device->zw / 6.0;

  PeleC::h_prob_parm_device->chi2 = 0.87 * 2 * constants::PI() / 
                                    PeleC::h_prob_parm_device->omega_norm;

  PeleC::h_prob_parm_device->beta = PeleC::h_prob_parm_device->beta_norm / 
                                    PeleC::h_prob_parm_device->dforce;

  PeleC::h_prob_parm_device->omega = PeleC::h_prob_parm_device->omega_norm *
                                     PeleC::h_prob_parm_device->U_inf / 
                                     PeleC::h_prob_parm_device->dforce;  

  PeleC::h_prob_parm_device->dynvis_inf = PeleC::h_prob_parm_device->rho_inf *
                                          PeleC::h_prob_parm_device->U_inf *
                                          PeleC::h_prob_parm_device->dforce /
                                          PeleC::h_prob_parm_device->Reynolds_dforce;

    // Output IC
  std::ofstream ofs("ic.txt", std::ofstream::out);
  amrex::Print(ofs)
    << "dforce, rho_inf, P_inf, T_inf, A, zw, chi2, beta, omega, mu, Re_dforce, U_inf, Ma_inf, Cp, eint, Ec_inf "
    << std::endl;
  amrex::Print(ofs).SetPrecision(17)
    << PeleC::h_prob_parm_device->dforce << ","
    << PeleC::h_prob_parm_device->rho_inf << "," 
    << PeleC::h_prob_parm_device->P_inf << ","
    << PeleC::h_prob_parm_device->T_inf << "," 
    << PeleC::h_prob_parm_device->A << "," 
    << PeleC::h_prob_parm_device->zw << ","
    << PeleC::h_prob_parm_device->chi2 << "," 
    << PeleC::h_prob_parm_device->beta << "," 
    << PeleC::h_prob_parm_device->omega << ","
    << PeleC::h_prob_parm_device->dynvis_inf << "," 
    << PeleC::h_prob_parm_device->Reynolds_dforce << "," 
    << PeleC::h_prob_parm_device->U_inf << ","  
    << PeleC::h_prob_parm_device->Mach_inf << ","
    << cp_inf << ","
    << eint << ","
    << Ec_inf
    << std::endl;
  ofs.close();

}
}

void
PeleC::problem_post_timestep()
{
}

void
PeleC::problem_post_init()
{
}

void
PeleC::problem_post_restart()
{
}

prob.H

#ifndef PROB_H
#define PROB_H

#include <AMReX_Print.H>
#include <AMReX_ParmParse.H>
#include <AMReX_Geometry.H>
#include <AMReX_FArrayBox.H>
#include <AMReX_REAL.H>
#include <AMReX_GpuMemory.H>

#include "mechanism.H"

#include "PeleC.H"
#include "IndexDefines.H"
#include "Constants.H"
#include "PelePhysics.H"
#include "Tagging.H"

#include "ProblemSpecificFunctions.H"
#include "prob_parm.H"

AMREX_GPU_DEVICE
AMREX_FORCE_INLINE
void
pc_initdata(
  int i,
  int j,
  int k,
  amrex::Array4<amrex::Real> const& state,
  amrex::GeometryData const& geomdata,
  ProbParmDevice const& prob_parm)
{
  auto eos = pele::physics::PhysicsType::eos();
  amrex::Real massfrac[NUM_SPECIES] = {0.0};
  massfrac[O2_ID] = PeleC::h_prob_parm_device->massfrac_O2;
  massfrac[N2_ID] = PeleC::h_prob_parm_device->massfrac_N2;

  amrex::Real eint = 0.0, T = PeleC::h_prob_parm_device->T_inf;

  eos.RTY2P(PeleC::h_prob_parm_device->rho_inf,
    T,
    massfrac,
    PeleC::h_prob_parm_device->P_inf);

   eos.RYP2E(PeleC::h_prob_parm_device->rho_inf, 
    massfrac,
    PeleC::h_prob_parm_device->P_inf,
    eint);

  amrex::Real x_velocity = PeleC::h_prob_parm_device->U_inf;
  amrex::Real y_velocity = 0.0;
  amrex::Real z_velocity = 0.0;

  state(i, j, k, URHO) = PeleC::h_prob_parm_device->rho_inf;
  state(i, j, k, UMX) = PeleC::h_prob_parm_device->rho_inf * x_velocity;
  state(i, j, k, UMY) = PeleC::h_prob_parm_device->rho_inf * y_velocity;
  state(i, j, k, UMZ) = PeleC::h_prob_parm_device->rho_inf * z_velocity;
  state(i, j, k, UEINT) = PeleC::h_prob_parm_device->rho_inf * eint;
  state(i, j, k, UEDEN) =
    PeleC::h_prob_parm_device->rho_inf * (eint + 0.5 * (x_velocity * x_velocity + 
                                                        y_velocity * y_velocity +
                                                        z_velocity * z_velocity));
  state(i, j, k, UTEMP) = T;
  for (int n = 0; n < NUM_SPECIES; n++) {
    state(i, j, k, UFS + n) = PeleC::h_prob_parm_device->rho_inf * massfrac[n];
  }
}

AMREX_GPU_DEVICE
AMREX_FORCE_INLINE
void
bcnormal(
  const amrex::Real x[AMREX_SPACEDIM],
  const amrex::Real s_int[NVAR],
  amrex::Real s_ext[NVAR],
  const int idir,
  const int sgn,
  const amrex::Real time,
  amrex::GeometryData const& geomdata,
  ProbParmDevice const& prob_parm,
  const amrex::GpuArray<amrex::Real, AMREX_SPACEDIM>& /*turb_fluc*/)
{

  amrex::Real velx = 0.0, vely = 0.0, velz = 0.0;

  if (sgn == 1 && idir == 0) {
    velx = PeleC::h_prob_parm_device->U_inf;

    amrex::Real massfrac[NUM_SPECIES] = {0.0};
    massfrac[O2_ID] = PeleC::h_prob_parm_device->massfrac_O2;
    massfrac[N2_ID] = PeleC::h_prob_parm_device->massfrac_N2;
    for (int n = 0; n < NUM_SPECIES; n++) {
      s_ext[UFS + n] = PeleC::h_prob_parm_device->rho_inf * massfrac[n];
    }
    auto eos = pele::physics::PhysicsType::eos();
    amrex::Real eint;

    // interior pressure
    amrex::Real p_int,rho;
    amrex::Real massfrac_int[NUM_SPECIES] = {0.0};
    for (int n = 0; n < NUM_SPECIES; n++) {
      massfrac_int[n] = s_int[UFS + n] / s_int[URHO];
    }

    eos.RTY2P(s_int[URHO], 
      s_int[UTEMP],
      massfrac_int,
      p_int);

    s_ext[UTEMP] = PeleC::h_prob_parm_device->T_inf;
    eos.PYT2RE(p_int, 
      massfrac,
      s_ext[UTEMP],
      rho,
      eint);

    s_ext[URHO] = rho;
    s_ext[UMX] = rho * velx;
    s_ext[UMY] = rho * vely;
    s_ext[UMZ] = rho * velz;
    s_ext[UEINT] = rho * eint;
    s_ext[UEDEN] = s_ext[UEINT] +
      PeleC::h_prob_parm_device->rho_inf * (eint + 0.5 * (velx * velx + 
                                                          vely * vely + 
                                                          velz * velz));

  }
  /*
  if ((idir == 1) && (sgn == 1)){
    const amrex::Real* prob_lo = geomdata.ProbLo();
    const amrex::Real* dx = geomdata.CellSize();
    const amrex::Real lower_xlimit = prob_lo[0] + 15 * dx[0];
    const amrex::Real upper_xlimit = prob_lo[0] + 20 * dx[0];
    const amrex::Real x_mid = (lower_xlimit + upper_xlimit) / 2.0;
    amrex::Real zw, chi2, beta, omega;
    zw = PeleC::h_prob_parm_device->zw;
    chi2 = PeleC::h_prob_parm_device->chi2;
    beta = PeleC::h_prob_parm_device->beta;
    omega = PeleC::h_prob_parm_device->omega;

    if (x[0] >= lower_xlimit && x[0] <= upper_xlimit) {
      vely = PeleC::h_prob_parm_device->A *
             std::pow(2.71828,-( x[0] - x_mid ) / ( 2 * chi2 )) *
             ( 1.0 + 0.1 *  
             (std::pow(2.71828, - std::pow((( x[2] - zw) / zw ),2)) - 
             std::pow(2.71828, - std::pow((( x[2] + zw) / zw ),2)))
             ) *
             std::sin(omega * time - beta * x[2]);

      amrex::Real massfrac_int[NUM_SPECIES] = {0.0};
      auto eos = pele::physics::PhysicsType::eos();
      for (int n = 0; n < NUM_SPECIES; n++) {
        massfrac_int[n] = s_int[UFS + n] / s_int[URHO];
      }

      amrex::Real Pw = 0.0, Tw = 422.5, rho = 0.0, eint = 0.0;
      eos.RTY2P(s_int[URHO], s_int[UTEMP], massfrac_int , Pw);

      amrex::Real massfrac_ext[NUM_SPECIES] = {0.0};
      massfrac_ext[O2_ID] = PeleC::h_prob_parm_device->massfrac_O2;
      massfrac_ext[N2_ID] = PeleC::h_prob_parm_device->massfrac_N2;

      eos.PYT2R(Pw, massfrac_ext, Tw, rho);
      eos.RTY2E(rho, Tw, massfrac_ext, eint);

      s_ext[UTEMP] = Tw;
      s_ext[URHO] = rho;
      s_ext[UEINT] = rho * eint;
      for (int n = 0; n < NUM_SPECIES; n++) {
        s_ext[UFS + n] = rho * massfrac_ext[n];
      }
      // s_ext[UMX] = rho * velx;
      s_ext[UMY] = rho * vely;
      // s_ext[UMZ] = rho * velz;
      s_ext[UEDEN] = s_ext[UEINT] +
          0.5 * rho * (velx * velx + vely * vely + velz * velz);
    }
  }*/
}

void pc_prob_close();

using ProblemSpecificFunctions = DefaultProblemSpecificFunctions;

#endif

prob_parm.H

#ifndef PROB_PARM_H
#define PROB_PARM_H

#include <AMReX_REAL.H>
#include <AMReX_GpuQualifiers.H>
#include <AMReX_GpuMemory.H>

struct ProbParmDevice
{
  amrex::Real T_inf = 65.0; // [K]
  amrex::Real P_inf = 1013250.0;
  amrex::Real rho_inf = 0.00013;
  amrex::Real dynvis_inf = 0.0;
  amrex::Real massfrac_O2 = 0.233;
  amrex::Real massfrac_N2 = 0.767;
  amrex::Real U_inf = 96970.0; // [cm s^-1]

  amrex::Real Reynolds_dforce = 2000.0;
  amrex::Real dforce = 0.0;
  amrex::Real Mach_inf = 6.0;

  amrex::Real A_norm = 0.002;
  amrex::Real beta_norm = 0.3;
  amrex::Real omega_norm = 0.15;

  amrex::Real A = 0.0;
  amrex::Real zw = 0.0;
  amrex::Real beta = 0.0;
  amrex::Real omega = 0.0;
  amrex::Real chi2 = 0.0;

};

struct ProbParmHost
{
  ProbParmHost() = default;
};

#endif
marchdf commented 7 months ago

Hi,

I applied formatting to your issue so it is easier to parse. Comments in input files are # and not //. So you should definitely fix that. Can you try not using the "isothermal" wall capability and just use a periodic in x/y and plain walls in z? That will rule out some obvious mistakes. Then when that works, you can remove the periodicity and see if your x/y BC work. Then finally you can turn back on the isothermal wall capability. A step by step approach will make sure you build your case bit by bit and make sure that each step works. Let us know if you need any help with these steps.

jrood-nrel commented 7 months ago

Another option is to build the code with no optimization with debug symbols and run with amrex.signal_handling=1 amrex.fpe_trap_invalid=1 amrex.fpe_trap_zero=1 amrex.fpe_trap_overflow=1 and that can help find the line numbers where NaNs first appear.

JhonCordova commented 7 months ago

Hi, @marchdf I've followed your instructions to narrow down the source of error. It appears that the errors occur with these options in the input file:

pelec.lo_bc       = "UserBC"  "NoSlipWall"   "Interior"
pelec.hi_bc       = "FOExtrap"  "NoSlipWall"   "Interior"

#pelec.do_isothermal_walls = true
#pelec.domlo_isothermal_temp = -1 422.5 -1
#pelec.domhi_isothermal_temp = -1 -1 -1

The condition being imposed at the inlet is a constant velocity profile, specifically associated with the freestream (U_inf, T_inf, rho_inf). This is being enforced through the following lines of code:

  amrex::Real velx = 0.0, vely = 0.0, velz = 0.0;

  if (idir == 0 && sgn == 1) {
    velx = PeleC::h_prob_parm_device->U_inf;

    amrex::Real massfrac[NUM_SPECIES] = {0.0};
    massfrac[O2_ID] = PeleC::h_prob_parm_device->massfrac_O2;
    massfrac[N2_ID] = PeleC::h_prob_parm_device->massfrac_N2;
    for (int n = 0; n < NUM_SPECIES; n++) {
      s_ext[UFS + n] = PeleC::h_prob_parm_device->rho_inf * massfrac[n];
    }
    auto eos = pele::physics::PhysicsType::eos();
    amrex::Real eint;

    // interior pressure
    amrex::Real p_int,rho;
    amrex::Real massfrac_int[NUM_SPECIES] = {0.0};
    for (int n = 0; n < NUM_SPECIES; n++) {
      massfrac_int[n] = s_int[UFS + n] / s_int[URHO];
    }

    eos.RTY2P(s_int[URHO], 
      s_int[UTEMP],
      massfrac_int,
      p_int);

    s_ext[UTEMP] = PeleC::h_prob_parm_device->T_inf;
    eos.PYT2RE(p_int, 
      massfrac,
      s_ext[UTEMP],
      rho,
      eint);

    s_ext[URHO] = rho;
    s_ext[UMX] = rho * velx;
    s_ext[UMY] = rho * vely;
    s_ext[UMZ] = rho * velz;
    s_ext[UEINT] = rho * eint;
    s_ext[UEDEN] = s_ext[UEINT] +
      PeleC::h_prob_parm_device->rho_inf * (eint + 0.5 * (velx * velx + 
                                                          vely * vely + 
                                                          velz * velz));

  }

Do you have any suggestions regarding the imposed BC (UserBC)?

JhonCordova commented 7 months ago

Hi, @jrood-nrel I have enabled debug mode in PeleC with the following setting in GNUmakefile:

# AMReX
DIM = 3
COMP = gnu
PRECISION = DOUBLE

# Profiling
PROFILE = FALSE
TINY_PROFILE = FALSE
COMM_PROFILE = FALSE
TRACE_PROFILE = FALSE
MEM_PROFILE = FALSE
USE_GPROF = FALSE

# Performance
USE_MPI = TRUE
USE_OMP = FALSE
USE_CUDA = FALSE
USE_HIP = FALSE
USE_SYCL = FALSE

# Debugging
DEBUG = TRUE
FSANITIZER = FALSE
THREAD_SANITIZER = FALSE

# PeleC
PELE_CVODE_FORCE_YCORDER = FALSE
PELE_USE_MAGMA = FALSE
PELE_COMPILE_AJACOBIAN = FALSE
Eos_Model := Fuego
Chemistry_Model := air
Transport_Model := Sutherland

# GNU Make
Bpack := ./Make.package
Blocs := .
PELE_HOME := ../../..
include $(PELE_HOME)/Exec/Make.PeleC

The compilation has been running with the following line:

mpiexec -np 8 ./PeleC3d.gnu.DEBUG.MPI.ex inputs.inp amrex.signal_handling=1 amrex.fpe_trap_invalid=1 amrex.fpe_trap_zero=1 amrex.fpe_trap_overflow=1

This is what has been printed in the terminal:

--------------------------------------------------------------------------
PMIx was unable to find a usable compression library
on the system. We will therefore be unable to compress
large data streams. This may result in longer-than-normal
startup times and larger memory footprints. We will
continue, but strongly recommend installing zlib or
a comparable compression library for better user experience.

You can suppress this warning by adding "pcompress_base_silence_warning=1"
to your PMIx MCA default parameter file, or by adding
"PMIX_MCA_pcompress_base_silence_warning=1" to your environment.
--------------------------------------------------------------------------
Initializing AMReX (24.02-31-g97512176d8e5)...
MPI initialized with 8 MPI processes
MPI initialized with thread support level 0
Initializing SUNDIALS with 1 threads...
SUNDIALS initialized.
AMReX (24.02-31-g97512176d8e5) initialized

Starting run at 15:19:33 UTC on 2024-04-16.
Successfully read inputs file ... 

PeleC git hash: 57d285f-dirty
AMReX git hash: 24.02-31-g97512176d
PelePhysics git hash: v23.03-98-g50b990b8
AMReX-Hydro git hash: v6.6.2

0 Advected Variables: 

2 Species: 
O2  N2  
0 Auxiliary Variables: 

Initializing EB2
Successfully read inputs file ... 
Starting to call amrex_probinit ... 
Successfully run amrex_probinit
Initializing the data at level 0
Done initializing level 0 data 
...estimated hydro-limited timestep at level 0: 3.819262928e-09
PeleC::estTimeStep (hydro-limited) at level 0:  estdt = 3.819262928e-09

TIME = 0 MASS        = 0.0131625
TIME = 0 XMOM        = 1276.367625
TIME = 0 YMOM        = 0
TIME = 0 ZMOM        = 0
TIME = 0 RHO*e       = -32879765.95
TIME = 0 RHO*K       = 61884684.3
TIME = 0 RHO*E       = 29004918.35
TIME = 0 FUEL PROD   = 0

TIME = 0 density     MIN = 0.00013          MAX = 0.00013        
TIME = 0 x_velocity  MIN = 96970            MAX = 96970          
TIME = 0 y_velocity  MIN = 0                MAX = 0              
TIME = 0 z_velocity  MIN = 0                MAX = 0              
TIME = 0 eint_e      MIN = -2.4979879e+09   MAX = -2.4979879e+09 
TIME = 0 Temp        MIN = 65               MAX = 65             
TIME = 0 pressure    MIN = 24351.762        MAX = 24351.762      
TIME = 0 massfrac    MIN = 0.233            MAX = 0.767          
TIME = 0 sumYminus1  MIN = 0                MAX = 0              
INITIAL GRIDS 
  Level 0   12 grids  51840 cells  100 % of domain
            smallest grid: 24 x 12 x 12  biggest grid: 32 x 12 x 12

PLOTFILE: file = plt00000
Write plotfile time = 0.270524077  seconds

...estimated hydro-limited timestep at level 0: 3.819262928e-09
PeleC::estTimeStep (hydro-limited) at level 0:  estdt = 3.819262928e-09
[Level 0 step 1] ADVANCE at time 0 with dt = 3.819262928e-10
Erroneous arithmetic operation
... Computing diffusion terms at t^(n)
... Computing Godunov hydro advance
See Backtrace.4 file for details
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 4 in communicator MPI_COMM_WORLD
  Proc: [[14250,1],4]
  Errorcode: 8

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.

this are the details in the Backtrace.4 file:

Host Name: Blue
=== If no file names and line numbers are shown below, one can run
            addr2line -Cpfie my_exefile my_line_address
    to convert `my_line_address` (e.g., 0x4a6b) into file name and line number.
    Or one can use amrex/Tools/Backtrace/parse_bt.py.

=== Please note that the line number reported by addr2line may not be accurate.
    One can use
            readelf -wl my_exefile | grep my_line_address'
    to find out the offset for that line.

 0: ./PeleC3d.gnu.DEBUG.MPI.ex(+0x42fde4) [0x5b9aa2116de4]
    amrex::BLBackTrace::print_backtrace_info(_IO_FILE*) at /home/jhon/Work/PeleC/Submodules/PelePhysics/Submodules/amrex/Src/Base/AMReX_BLBackTrace.cpp:189

 1: ./PeleC3d.gnu.DEBUG.MPI.ex(+0x42f896) [0x5b9aa2116896]
    amrex::BLBackTrace::handler(int) at /home/jhon/Work/PeleC/Submodules/PelePhysics/Submodules/amrex/Src/Base/AMReX_BLBackTrace.cpp:99

 2: /lib/x86_64-linux-gnu/libc.so.6(+0x42520) [0x786c39242520]

 3: /lib/x86_64-linux-gnu/libm.so.6(+0x1349c) [0x786c3985c49c]
    ?? ??:0

 4: ./PeleC3d.gnu.DEBUG.MPI.ex(+0xec214c) [0x5b9aa2ba914c]
    pele::physics::eos::Fuego::RTY2Cs(double, double, double const*, double&) at /home/jhon/Work/PeleC/Submodules/PelePhysics/Source/Eos/Fuego.H:115
 (inlined by) pc_ctoprim(int, int, int, amrex::Array4<double const> const&, amrex::Array4<double> const&, amrex::Array4<double> const&) at /home/jhon/Work/PeleC/Exec/RegTests/TBL/../../../Source/Utilities.H:252
 (inlined by) operator() at /home/jhon/Work/PeleC/Exec/RegTests/TBL/../../../Source/Diffusion.cpp:130

 5: ./PeleC3d.gnu.DEBUG.MPI.ex(+0xf079a8) [0x5b9aa2bee9a8]
    decltype ({parm#1}(0, 0, 0)) amrex::detail::call_f<PeleC::getMOLSrcTerm(amrex::MultiFab const&, amrex::MultiFab&, double, double, double)::{lambda(int, int, int)#1}>(PeleC::getMOLSrcTerm(amrex::MultiFab const&, amrex::MultiFab&, double, double, double)::{lambda(int, int, int)#1} const&, int, int, int) at /home/jhon/Work/PeleC/Submodules/PelePhysics/Submodules/amrex/Src/Base/AMReX_GpuLaunchFunctsC.H:30

 6: ./PeleC3d.gnu.DEBUG.MPI.ex(+0xf05835) [0x5b9aa2bec835]
    void amrex::ParallelFor<PeleC::getMOLSrcTerm(amrex::MultiFab const&, amrex::MultiFab&, double, double, double)::{lambda(int, int, int)#1}>(amrex::Box const&, PeleC::getMOLSrcTerm(amrex::MultiFab const&, amrex::MultiFab&, double, double, double)::{lambda(int, int, int)#1}&&) at /home/jhon/Work/PeleC/Submodules/PelePhysics/Submodules/amrex/Src/Base/AMReX_GpuLaunchFunctsC.H:167 (discriminator 3)

 7: ./PeleC3d.gnu.DEBUG.MPI.ex(+0xef9288) [0x5b9aa2be0288]
    amrex::BaseFab<double>::array() at /home/jhon/Work/PeleC/Submodules/PelePhysics/Submodules/amrex/Src/Base/AMReX_BaseFab.H:399
 (inlined by) PeleC::getMOLSrcTerm(amrex::MultiFab const&, amrex::MultiFab&, double, double, double) at /home/jhon/Work/PeleC/Exec/RegTests/TBL/../../../Source/Diffusion.cpp:168

 8: ./PeleC3d.gnu.DEBUG.MPI.ex(+0xa952cd) [0x5b9aa277c2cd]
    PeleC::do_sdc_iteration(double, double, int, int, int, int) at /home/jhon/Work/PeleC/Exec/RegTests/TBL/../../../Source/Advance.cpp:303

 9: ./PeleC3d.gnu.DEBUG.MPI.ex(+0xa94c77) [0x5b9aa277bc77]
    PeleC::do_sdc_advance(double, double, int, int) at /home/jhon/Work/PeleC/Exec/RegTests/TBL/../../../Source/Advance.cpp:223 (discriminator 2)

10: ./PeleC3d.gnu.DEBUG.MPI.ex(+0xa9395b) [0x5b9aa277a95b]
    PeleC::advance(double, double, int, int) at /home/jhon/Work/PeleC/Exec/RegTests/TBL/../../../Source/Advance.cpp:39

11: ./PeleC3d.gnu.DEBUG.MPI.ex(+0x475cf2) [0x5b9aa215ccf2]
    amrex::Amr::timeStep(int, double, int, int, double) at /home/jhon/Work/PeleC/Submodules/PelePhysics/Submodules/amrex/Src/Amr/AMReX_Amr.cpp:2022

12: ./PeleC3d.gnu.DEBUG.MPI.ex(+0x476595) [0x5b9aa215d595]
    amrex::Amr::coarseTimeStep(double) at /home/jhon/Work/PeleC/Submodules/PelePhysics/Submodules/amrex/Src/Amr/AMReX_Amr.cpp:2133

13: ./PeleC3d.gnu.DEBUG.MPI.ex(+0xeb6341) [0x5b9aa2b9d341]
    main at /home/jhon/Work/PeleC/Exec/RegTests/TBL/../../../Source/main.cpp:165

14: /lib/x86_64-linux-gnu/libc.so.6(+0x29d90) [0x786c39229d90]

15: /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0x80) [0x786c39229e40]

16: ./PeleC3d.gnu.DEBUG.MPI.ex(+0x1fb15) [0x5b9aa1d06b15]
    ?? ??:0

Does it give you any clues about the issue?

jrood-nrel commented 7 months ago

https://github.com/AMReX-Combustion/PelePhysics/blob/80f2cfa0edd2e928a93bb9dff45e68d32d8699f7/Source/Eos/Fuego.H#L115 likely has a negative number in the sqrt. Would have to back track why that's happening.

marchdf commented 7 months ago 
 s_ext[UEDEN] = s_ext[UEINT] +
      PeleC::h_prob_parm_device->rho_inf * (eint + 0.5 * (velx * velx + 
                                                          vely * vely + 
                                                          velz * velz));

am I missing something? Seems like there is 2 internal energies in here? I feel like s_ext[UEINT] + should be removed? And are you sure you want to use rho_inf and not rho ?

marchdf commented 7 months ago

s_ext[UFS + n] = PeleC::h_prob_parm_device->rho_inf * massfrac[n]; Also this. you are using rho_inf to set the rho Y in the external state, but then you use rho when you set the other variables in the external state: 

s_ext[URHO] = rho;
    s_ext[UMX] = rho * velx;
    s_ext[UMY] = rho * vely;
    s_ext[UMZ] = rho * velz;
    s_ext[UEINT] = rho * eint;

Feels inconsistent?

marchdf commented 7 months ago

Here is an example of how you can do things: https://github.com/AMReX-Combustion/PeleC/blob/development/Exec/RegTests/EB-ConvergingNozzle/prob.H#L84

JhonCordova commented 7 months ago

Now, the case is running. I'll give it a look at the nozzle case. Thanks a lot !