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Clean up error handling in IdasIntegrator
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@speth @ischoegl
speth authored and ischoegl committed Jun 14, 2023
1 parent 6a0d374 commit 16397e5
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Showing 3 changed files with 45 additions and 82 deletions.
5 changes: 5 additions & 0 deletions include/cantera/numerics/IdasIntegrator.h
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Expand Up @@ -83,6 +83,11 @@ class IdasIntegrator : public Integrator

private:
void sensInit(double t0, FuncEval& func);

//! Check whether an IDAS method indicated an error. If so, throw an exception
//! containing the method name and the error code stashed by the ida_err() function.
void checkError(long flag, const string& ctMethod, const string& idaMethod) const;

size_t m_neq;
void* m_ida_mem = nullptr; //!< Pointer to the IDA memory for the problem
void* m_linsol = nullptr; //!< Sundials linear solver object
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2 changes: 1 addition & 1 deletion interfaces/cython/cantera/reactor.pxd
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Expand Up @@ -172,7 +172,7 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
string linearSolverType()
void setPreconditioner(shared_ptr[CxxPreconditionerBase] preconditioner)
void setDerivativeSettings(CxxAnyMap&)
CxxAnyMap solverStats()
CxxAnyMap solverStats() except +translate_exception

cdef extern from "cantera/zeroD/ReactorDelegator.h" namespace "Cantera":
cdef cppclass CxxReactorAccessor "Cantera::ReactorAccessor":
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120 changes: 39 additions & 81 deletions src/numerics/IdasIntegrator.cpp
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Expand Up @@ -136,7 +136,8 @@ void IdasIntegrator::setMaxStepSize(double hmax)
{
m_hmax = hmax;
if (m_ida_mem) {
IDASetMaxStep(m_ida_mem, hmax);
int flag = IDASetMaxStep(m_ida_mem, hmax);
checkError(flag, "setMaxStepSize", "IDASetMaxStep");
}
}

Expand Down Expand Up @@ -167,7 +168,8 @@ AnyMap IdasIntegrator::solverStats() const
long int val;
int lastOrder;

IDAGetNumSteps(m_ida_mem, &val);
int flag = IDAGetNumSteps(m_ida_mem, &val);
checkError(flag, "solverStats", "IDAGetNumSteps");
stats["steps"] = val;
IDAGetNumResEvals(m_ida_mem, &val);
stats["res_evals"] = val;
Expand All @@ -189,43 +191,25 @@ void IdasIntegrator::setMaxNonlinIterations(int n)
m_maxNonlinIters = n;
if (m_ida_mem) {
int flag = IDASetMaxNonlinIters(m_ida_mem, m_maxNonlinIters);
if (flag != IDA_SUCCESS) {
throw CanteraError("IdasIntegrator::setMaxNonlinIterations",
"IDASetmaxNonlinIters failed.");
}
}

if (m_setSuppressAlg != 0) {
int flag = IDASetSuppressAlg(m_ida_mem, m_setSuppressAlg);
if (flag != IDA_SUCCESS) {
throw CanteraError("IdasIntegrator::setMaxNonlinIterations",
"IDASetSuppressAlg failed.");
}
checkError(flag, "setMaxNonlinIterations", "IDASetMaxNonlinIters");
}
}

void IdasIntegrator::setMaxNonlinConvFailures(int n)
{
m_maxNonlinIters = n;
m_maxNonlinConvFails = n;
if (m_ida_mem) {
int flag = IDASetMaxConvFails(m_ida_mem, m_maxNonlinConvFails);
if (flag != IDA_SUCCESS) {
throw CanteraError("IdasIntegrator::setMaxNonlinConvFailures",
"IDASetMaxConvFails failed.");
}
checkError(flag, "setMaxNonlinConvFailures", "IDASetMaxConvFails");
}
}

void IdasIntegrator::inclAlgebraicInErrorTest(bool yesno)
{
m_setSuppressAlg = !yesno;

if (m_ida_mem) {
int flag = IDASetSuppressAlg(m_ida_mem, m_setSuppressAlg);
if (flag != IDA_SUCCESS) {
throw CanteraError("IdasIntegrator::inclAlgebraicInErrorTest",
"IDASetSuppressAlg failed.");
}
checkError(flag, "inclAlgebraicInErrorTest", "IDASetSuppressAlg");
}
}

Expand Down Expand Up @@ -292,54 +276,30 @@ void IdasIntegrator::initialize(double t0, FuncEval& func)
}
}

flag = IDASetErrHandlerFn(m_ida_mem, &ida_err, this);

// set constraints
flag = IDASetId(m_ida_mem, m_constraints);
if (flag != IDA_SUCCESS) {
if (flag == IDA_MEM_NULL) {
throw CanteraError("IdasIntegrator::initialize",
"Memory allocation failed.");
} else {
throw CanteraError("IdasIntegrator::initialize", "IDASetId failed.");
}
}

flag = IDASetErrHandlerFn(m_ida_mem, &ida_err, this);
if (flag != IDA_SUCCESS) {
throw CanteraError("IdasIntegrator::initialize", "IDASetErrHandlerFn failed.");
}
checkError(flag, "initialize", "IDASetId");

if (m_itol == IDA_SV) {
flag = IDASVtolerances(m_ida_mem, m_reltol, m_abstol);
checkError(flag, "initialize", "IDASVtolerances");
} else {
flag = IDASStolerances(m_ida_mem, m_reltol, m_abstols);
}
if (flag != IDA_SUCCESS) {
if (flag == IDA_MEM_FAIL) {
throw CanteraError("IdasIntegrator::initialize",
"Memory allocation failed.");
} else if (flag == IDA_ILL_INPUT) {
throw CanteraError("IdasIntegrator::initialize",
"Illegal value for IDAInit input argument.");
} else {
throw CanteraError("IdasIntegrator::initialize",
"IDASStolerances failed.");
}
checkError(flag, "initialize", "IDASStolerances");
}

flag = IDASetUserData(m_ida_mem, &func);
if (flag != IDA_SUCCESS) {
throw CanteraError("IdasIntegrator::initialize", "IDASetUserData failed.");
}
checkError(flag, "initialize", "IDASetUserData");

if (func.nparams() > 0) {
throw CanteraError("IdasIntegrator::initialize", "Sensitivity analysis "
"for DAE systems is not fully implemented");
sensInit(t0, func);
flag = IDASetSensParams(m_ida_mem, func.m_sens_params.data(),
func.m_paramScales.data(), NULL);
if (flag != IDA_SUCCESS) {
throw CanteraError("IdasIntegrator::initialize",
"IDASetSensParams failed.");
}
checkError(flag, "initialize", "IDASetSensParams");
}
applyOptions();
}
Expand All @@ -353,10 +313,7 @@ void IdasIntegrator::reinitialize(double t0, FuncEval& func)
func.clearErrors();

int result = IDAReInit(m_ida_mem, m_t0, m_y, m_ydot);
if (result != IDA_SUCCESS) {
throw CanteraError("IdasIntegrator::reinitialize",
"IDAReInit failed. result = {}", result);
}
checkError(result, "reinitialize", "IDAReInit");
applyOptions();
}

Expand Down Expand Up @@ -467,23 +424,15 @@ void IdasIntegrator::applyOptions()
}
if (m_maxNonlinIters > 0) {
int flag = IDASetMaxNonlinIters(m_ida_mem, m_maxNonlinIters);
if (flag != IDA_SUCCESS) {
throw CanteraError("IdasIntegrator::init",
"IDASetmaxNonlinIters failed.");
}
checkError(flag, "applyOptions", "IDASetMaxNonlinIters");
}
if (m_maxNonlinConvFails > 0) {
int flag = IDASetMaxConvFails(m_ida_mem, m_maxNonlinConvFails);
if (flag != IDA_SUCCESS) {
throw CanteraError("IdasIntegrator::init",
"IDASetMaxConvFails failed.");
}
checkError(flag, "applyOptions", "IDASetMaxConvFails");
}
if (m_setSuppressAlg != 0) {
int flag = IDASetSuppressAlg(m_ida_mem, m_setSuppressAlg);
if (flag != IDA_SUCCESS) {
throw CanteraError("IdasIntegrator::init", "IDASetSuppressAlg failed.");
}
checkError(flag, "applyOptions", "IDASetSuppressAlg");
}
}

Expand Down Expand Up @@ -514,20 +463,16 @@ void IdasIntegrator::sensInit(double t0, FuncEval& func)

int flag = IDASensInit(m_ida_mem, static_cast<sd_size_t>(m_np),
IDA_STAGGERED, IDASensResFn(0), m_yS, m_ySdot);
checkError(flag, "sensInit", "IDASensInit");

if (flag != IDA_SUCCESS) {
throw CanteraError("IdasIntegrator::sensInit", "Error in IDASensInit");
}
vector_fp atol(m_np);
for (size_t n = 0; n < m_np; n++) {
// This scaling factor is tuned so that reaction and species enthalpy
// sensitivities can be computed simultaneously with the same abstol.
atol[n] = m_abstolsens / func.m_paramScales[n];
}
flag = IDASensSStolerances(m_ida_mem, m_reltolsens, atol.data());
if (flag != IDA_SUCCESS) {
throw CanteraError("IdasIntegrator::sensInit", "Error in IDASensSStolerances");
}
checkError(flag, "sensInit", "IDASensSStolerances");
}

void IdasIntegrator::integrate(double tout)
Expand Down Expand Up @@ -575,10 +520,7 @@ double IdasIntegrator::sensitivity(size_t k, size_t p)
}
if (!m_sens_ok && m_np) {
int flag = IDAGetSens(m_ida_mem, &m_time, m_yS);
if (flag != IDA_SUCCESS) {
throw CanteraError("IdasIntegrator::sensitivity",
"IDAGetSens failed. Error code: {}", flag);
}
checkError(flag, "sensitivity", "IDAGetSens");
m_sens_ok = true;
}

Expand Down Expand Up @@ -617,6 +559,22 @@ string IdasIntegrator::getErrorInfo(int N)
return to_string(s);
}

void IdasIntegrator::checkError(long flag, const string& ctMethod,
const string& idaMethod) const
{
if (flag == IDA_SUCCESS) {
return;
} else if (flag == IDA_MEM_NULL) {
throw CanteraError("IdasIntegrator::" + ctMethod,
"IDAS integrator is not initialized");
} else {
const char* flagname = IDAGetReturnFlagName(flag);
throw CanteraError("IdasIntegrator::" + ctMethod,
"{} returned error code {} ({}):\n{}",
idaMethod, flag, flagname, m_error_message);
}
}

void IdasIntegrator::setMethod(MethodType t)
{
if (t != BDF_Method) {
Expand Down

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