Revision 39f44c94e53ac70a098d3108c54de5a9f5981633 authored by wenqing on 29 November 2023, 14:45:13 UTC, committed by wenqing on 29 November 2023, 14:45:13 UTC
[MPL] removed phi (1-S_L) from the vapour diffusion model See merge request ogs/ogs!4648
CVodeSolver.cpp
/**
* \file
* \copyright
* Copyright (c) 2012-2023, OpenGeoSys Community (http://www.opengeosys.org)
* Distributed under a Modified BSD License.
* See accompanying file LICENSE.txt or
* http://www.opengeosys.org/project/license
*
*/
#include "CVodeSolver.h"
#include <cvode/cvode.h> /* prototypes for CVODE fcts., consts. */
#include <cvode/cvode_dense.h> /* prototype for CVDense */
#include <nvector/nvector_serial.h> /* serial N_Vector types, fcts., macros */
#include <sundials/sundials_dense.h> /* definitions DlsMat DENSE_ELEM */
#include <sundials/sundials_types.h> /* definition of type realtype */
#include <cassert>
#include "BaseLib/ConfigTree.h"
#include "BaseLib/Error.h"
#include "BaseLib/Logging.h"
//! \addtogroup ExternalODESolverInterface
//! @{
/*! Checks Sundials error flags and aborts the program in case of error.
*
* \param f_name name of the function that returned the \c error_flag
* \param error_flag the error flag to be checked
*/
void check_error(std::string const& f_name, int const error_flag)
{
if (error_flag != CV_SUCCESS)
{
OGS_FATAL("CVodeSolver: {:s} failed with error flag {:d}.", f_name,
error_flag);
}
}
//! Prints some statistics about an ODE solver run.
void printStats(void* cvode_mem)
{
long int nst = 0, nfe = 0, nsetups = 0, nje = 0, nfeLS = 0, nni = 0,
ncfn = 0, netf = 0, nge = 0;
check_error("CVodeGetNumSteps", CVodeGetNumSteps(cvode_mem, &nst));
check_error("CVodeGetNumRhsEvals", CVodeGetNumRhsEvals(cvode_mem, &nfe));
check_error("CVodeGetNumLinSolvSetups",
CVodeGetNumLinSolvSetups(cvode_mem, &nsetups));
check_error("CVodeGetNumErrTestFails",
CVodeGetNumErrTestFails(cvode_mem, &netf));
check_error("CVodeGetNumNonlinSolvIters",
CVodeGetNumNonlinSolvIters(cvode_mem, &nni));
check_error("CVodeGetNumNonlinSolvConvFails",
CVodeGetNumNonlinSolvConvFails(cvode_mem, &ncfn));
check_error("CVDlsGetNumJacEvals", CVDlsGetNumJacEvals(cvode_mem, &nje));
check_error("CVDlsGetNumRhsEvals", CVDlsGetNumRhsEvals(cvode_mem, &nfeLS));
check_error("CVodeGetNumGEvals", CVodeGetNumGEvals(cvode_mem, &nge));
DBUG("Sundials CVode solver. Statistics:");
DBUG(
"nst = {:<0d} nfe = {:<0d} nsetups = {:<0d} nfeLS = {:<0d} nje = {:d}",
nst, nfe, nsetups, nfeLS, nje);
DBUG("nni = {:<0d} ncfn = {:<0d} netf = {:<0d} nge = {:d}\n", nni,
ncfn, netf, nge);
}
//! @}
namespace MathLib
{
namespace ODE
{
//! \addtogroup ExternalODESolverInterface
//! @{
/*! This class provides concrete access to Sundials' CVode solver.
*
* This class is the implementation part in the pimpl idiom used by the
* CVodeSolver class. Therefore all if this classes methods are only forwarded
* from CVodeSolver.
*/
class CVodeSolverImpl final
{
static_assert(std::is_same_v<realtype, double>,
"CVode's realtype is not the same as double");
public:
CVodeSolverImpl(BaseLib::ConfigTree const& config,
unsigned const num_equations);
void setFunction(std::unique_ptr<detail::FunctionHandles>&& f);
void preSolve();
bool solve(const double t_end);
double const* getSolution() const { return NV_DATA_S(y_); }
double getTime() const { return t_; }
void getYDot(const double t, double const* const y, double* const y_dot);
void setTolerance(const double* abstol, const double reltol);
void setTolerance(const double abstol, const double reltol);
void setIC(const double t0, double const* const y0);
~CVodeSolverImpl();
private:
N_Vector y_ = nullptr; //!< The solution vector.
realtype t_; //! current time
N_Vector abstol_ = nullptr; //!< Array of absolute tolerances.
realtype reltol_; //!< Relative tolerance
unsigned num_equations_; //!< Number of equations in the ODE system.
void* cvode_mem_; //!< CVode's internal memory
//! Function handles that compute \f$\partial \dot y/\partial y\f$
//! and \f$\dot y\f$.
std::unique_ptr<detail::FunctionHandles> f_;
//! The multistep method used for solving the ODE.
int linear_multistep_method_ = CV_ADAMS;
//! Either solve via fixed-point iteration or via Newton-Raphson method.
int nonlinear_solver_iteration_ = CV_FUNCTIONAL;
};
//! @}
CVodeSolverImpl::CVodeSolverImpl(const BaseLib::ConfigTree& config,
const unsigned num_equations)
{
if (auto const param =
//! \ogs_file_param{ode_solver__CVODE__linear_multistep_method}
config.getConfigParameterOptional<std::string>(
"linear_multistep_method"))
{
DBUG("setting linear multistep method (config: {:s})", param->c_str());
if (*param == "Adams")
{
linear_multistep_method_ = CV_ADAMS;
}
else if (*param == "BDF")
{
linear_multistep_method_ = CV_BDF;
}
else
{
OGS_FATAL("unknown linear multistep method: {:s}", param->c_str());
}
}
if (auto const param =
//! \ogs_file_param{ode_solver__CVODE__nonlinear_solver_iteration}
config.getConfigParameterOptional<std::string>(
"nonlinear_solver_iteration"))
{
DBUG("setting nonlinear solver iteration (config: {:s})",
param->c_str());
if (*param == "Functional")
{
nonlinear_solver_iteration_ = CV_FUNCTIONAL;
}
else if (*param == "Newton")
{
nonlinear_solver_iteration_ = CV_NEWTON;
}
else
{
OGS_FATAL("unknown nonlinear solver iteration: {:s}",
param->c_str());
}
}
y_ = N_VNew_Serial(num_equations);
abstol_ = N_VNew_Serial(num_equations);
num_equations_ = num_equations;
cvode_mem_ =
CVodeCreate(linear_multistep_method_, nonlinear_solver_iteration_);
if (cvode_mem_ == nullptr || y_ == nullptr || abstol_ == nullptr)
{
OGS_FATAL("couldn't allocate storage for CVode solver.");
}
auto f_wrapped = [](const realtype t, const N_Vector y, N_Vector ydot,
void* function_handles) -> int
{
bool successful =
static_cast<detail::FunctionHandles*>(function_handles)
->call(t, NV_DATA_S(y), NV_DATA_S(ydot));
return successful ? 0 : 1;
};
check_error("CVodeInit", CVodeInit(cvode_mem_, f_wrapped, 0.0, y_));
}
void CVodeSolverImpl::setTolerance(const double* abstol, const double reltol)
{
for (unsigned i = 0; i < num_equations_; ++i)
{
NV_Ith_S(abstol_, i) = abstol[i];
}
reltol_ = reltol;
}
void CVodeSolverImpl::setTolerance(const double abstol, const double reltol)
{
for (unsigned i = 0; i < num_equations_; ++i)
{
NV_Ith_S(abstol_, i) = abstol;
}
reltol_ = reltol;
}
void CVodeSolverImpl::setFunction(std::unique_ptr<detail::FunctionHandles>&& f)
{
f_ = std::move(f);
assert(num_equations_ == f_->getNumberOfEquations());
}
void CVodeSolverImpl::setIC(const double t0, double const* const y0)
{
for (unsigned i = 0; i < num_equations_; ++i)
{
NV_Ith_S(y_, i) = y0[i];
}
t_ = t0;
}
void CVodeSolverImpl::preSolve()
{
assert(f_ != nullptr && "ode function handle was not provided");
// sets initial conditions
check_error("CVodeReInit", CVodeReInit(cvode_mem_, t_, y_));
check_error("CVodeSetUserData",
CVodeSetUserData(cvode_mem_, static_cast<void*>(f_.get())));
/* Call CVodeSVtolerances to specify the scalar relative tolerance
* and vector absolute tolerances */
check_error("CVodeSVtolerances",
CVodeSVtolerances(cvode_mem_, reltol_, abstol_));
/* Call CVDense to specify the CVDENSE dense linear solver */
check_error("CVDense", CVDense(cvode_mem_, num_equations_));
if (f_->hasJacobian())
{
auto df_wrapped = [](const long N, const realtype t, const N_Vector y,
const N_Vector ydot, const DlsMat jac,
void* function_handles, N_Vector /*tmp1*/,
N_Vector /*tmp2*/, N_Vector /*tmp3*/
) -> int
{
(void)N; // prevent warnings during non-debug build
auto* fh = static_cast<detail::FunctionHandles*>(function_handles);
assert(N == fh->getNumberOfEquations());
// Caution: by calling the DENSE_COL() macro we assume that matrices
// are stored contiguously in memory!
// See also the header files sundials_direct.h and cvode_direct.h in
// the Sundials source code. The comments about the macro DENSE_COL
// in those files indicate that matrices are stored column-wise.
bool successful = fh->callJacobian(t, NV_DATA_S(y), NV_DATA_S(ydot),
DENSE_COL(jac, 0));
return successful ? 0 : 1;
};
check_error("CVDlsSetDenseJacFn",
CVDlsSetDenseJacFn(cvode_mem_, df_wrapped));
}
}
bool CVodeSolverImpl::solve(const double t_end)
{
realtype t_reached;
check_error("CVode solve",
CVode(cvode_mem_, t_end, y_, &t_reached, CV_NORMAL));
t_ = t_reached;
// check_error asserts that t_end == t_reached and that solving the ODE
// went fine. Otherwise the program will be aborted. Therefore, we don't
// have to check manually for errors here and can always safely return true.
return true;
}
void CVodeSolverImpl::getYDot(const double t, double const* const y,
double* const y_dot)
{
assert(f_ != nullptr);
f_->call(t, y, y_dot);
}
CVodeSolverImpl::~CVodeSolverImpl()
{
printStats(cvode_mem_);
N_VDestroy_Serial(y_);
N_VDestroy_Serial(abstol_);
CVodeFree(&cvode_mem_);
}
CVodeSolver::CVodeSolver(BaseLib::ConfigTree const& config,
unsigned const num_equations)
: impl_{new CVodeSolverImpl{config, num_equations}}
{
}
void CVodeSolver::setTolerance(const double* abstol, const double reltol)
{
impl_->setTolerance(abstol, reltol);
}
void CVodeSolver::setTolerance(const double abstol, const double reltol)
{
impl_->setTolerance(abstol, reltol);
}
void CVodeSolver::setFunction(std::unique_ptr<detail::FunctionHandles>&& f)
{
impl_->setFunction(std::move(f));
}
void CVodeSolver::setIC(const double t0, double const* const y0)
{
impl_->setIC(t0, y0);
}
void CVodeSolver::preSolve()
{
impl_->preSolve();
}
bool CVodeSolver::solve(const double t_end)
{
return impl_->solve(t_end);
}
double const* CVodeSolver::getSolution() const
{
return impl_->getSolution();
}
void CVodeSolver::getYDot(const double t, double const* const y,
double* const y_dot) const
{
impl_->getYDot(t, y, y_dot);
}
double CVodeSolver::getTime() const
{
return impl_->getTime();
}
CVodeSolver::~CVodeSolver() = default;
} // namespace ODE
} // namespace MathLib
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