int SundialsCvode::integrateOneStep(realtype tf)
{
assert(mathUtils::notnan(y));
CVodeSetStopTime(sundialsMem, tf);
int flag = CVode(sundialsMem, tf, y.forSundials(), &tInt, CV_ONE_STEP);
if (flag != CV_SUCCESS && flag != CV_TSTOP_RETURN) {
errorCount += 1;
if (errorCount > errorStopCount) {
throw DebugException("CVODE Integrator had too many errors");
}
}
return flag;
}
void FCV_SETRIN(char key_name[], realtype *rval, int *ier)
{
if (!strncmp(key_name,"INIT_STEP",9))
*ier = CVodeSetInitStep(CV_cvodemem, *rval);
else if (!strncmp(key_name,"MAX_STEP",8))
*ier = CVodeSetMaxStep(CV_cvodemem, *rval);
else if (!strncmp(key_name,"MIN_STEP",8))
*ier = CVodeSetMinStep(CV_cvodemem, *rval);
else if (!strncmp(key_name,"STOP_TIME",9))
*ier = CVodeSetStopTime(CV_cvodemem, *rval);
else if (!strncmp(key_name,"NLCONV_COEF",11))
*ier = CVodeSetNonlinConvCoef(CV_cvodemem, *rval);
else {
*ier = -99;
fprintf(stderr, "FCVSETRIN: Unrecognized key.\n\n");
}
}
void CvodeSolver::solve(double &pVoi, const double &pVoiEnd) const
{
// Solve the model
if (!mInterpolateSolution)
CVodeSetStopTime(mSolver, pVoiEnd);
CVode(mSolver, pVoiEnd, mStatesVector, &pVoi, CV_NORMAL);
// Compute the rates one more time to get up to date values for the rates
// Note: another way of doing this would be to copy the contents of the
// calculated rates in rhsFunction, but that's bound to be more time
// consuming since a call to CVode() is likely to generate at least a
// few calls to rhsFunction(), so that would be quite a few memory
// transfers while here we 'only' compute the rates one more time...
mComputeRates(pVoiEnd, mConstants, mRates,
N_VGetArrayPointer_Serial(mStatesVector), mAlgebraic);
}
int integrate(struct Integrator* integrator, double tout, double* t)
{
if (integrator->em->nRates > 0)
{
/* need to integrate if we have any differential equations */
int flag;
/* Make sure we don't go past the specified end time - could run into
trouble if we're almost reaching a threshold */
flag = CVodeSetStopTime(integrator->cvode_mem,(realtype)tout);
if (check_flag(&flag,"CVode",1)) return(ERR);
flag = CVode(integrator->cvode_mem,tout,integrator->y,t,CV_NORMAL);
if (check_flag(&flag,"CVode",1)) return(ERR);
/* we also need to evaluate all the other variables that are not required
to be updated during integration */
integrator->em->evaluateVariables(*t);
}
else
{
/* no differential equations so just evaluate once */
integrator->em->computeRates(tout);
integrator->em->evaluateVariables(tout);
*t = tout;
}
/*
* Now that using CV_NORMAL_TSTOP this is no longer required?
*/
#ifdef OLD_CODE
/* only the y array is gonna be at the desired tout, so we need to also
update the full variables array */
ud->BOUND[0] = *t;
ud->methods->ComputeVariables(ud->BOUND,ud->RATES,ud->CONSTANTS,
ud->VARIABLES);
#endif
/* Make sure the outputs are up-to-date */
integrator->em->getOutputs(*t);
return(OK);
}
int CVodeB(void *cvadj_mem, realtype tBout, N_Vector yBout,
realtype *tBret, int itaskB)
{
CVadjMem ca_mem;
CkpntMem ck_mem;
CVodeMem cvb_mem;
int sign, flag, cv_itask;
realtype tBn;
if (cvadj_mem == NULL) return(CV_ADJMEM_NULL);
ca_mem = (CVadjMem) cvadj_mem;
cvb_mem = ca_mem->cvb_mem;
if (cvb_mem == NULL) return(CV_BCKMEM_NULL);
if (itaskB == CV_NORMAL)
cv_itask = CV_NORMAL_TSTOP;
else if (itaskB == CV_ONE_STEP)
cv_itask = CV_ONE_STEP_TSTOP;
else
return(CV_BAD_ITASK);
ck_mem = ca_mem->ck_mem;
sign = (tfinal - tinitial > ZERO) ? 1 : -1;
if ( (sign*(tBout-tinitial) < ZERO) || (sign*(tfinal-tBout) < ZERO) )
return(CV_BAD_TBOUT);
tBn = cvb_mem->cv_tn;
while ( sign*(tBn - t0_) <= ZERO ) ck_mem = next_;
loop {
/* Store interpolation data if not available
This is the 2nd forward integration pass */
if (ck_mem != ckpntData) {
flag = CVAdataStore(ca_mem, ck_mem);
if (flag != CV_SUCCESS) return(flag);
}
/* Backward integration */
CVodeSetStopTime((void *)cvb_mem, t0_);
flag = CVode(cvb_mem, tBout, yBout, tBret, cv_itask);
/* If an error occured, return now */
if (flag < 0) return(flag);
/* Set the time at which CVodeGetQuadB will evaluate any quadratures */
t_for_quad = *tBret;
/* If in CV_ONE_STEP mode, return now (flag=CV_SUCCESS or flag=CV_TSTOP_RETURN) */
if (itaskB == CV_ONE_STEP) return(flag);
/* If succesfully reached tBout, return now */
if (*tBret == tBout) return(flag);
/* Move check point in linked list to next one */
ck_mem = next_;
}
return(CV_SUCCESS);
}
static int simulate_nmr_pulse(struct bloch_sim *bs)
{
N_Vector M = NULL;
M = N_VNew_Serial(3 * bs->num_cells);
if (check_flag((void *)M, "N_VNew_Serial", 0)) return(1);
int i;
/* Set initial (t=0) magnetization conditions */
for(i=0; i < bs->num_cells; ++i)
{
X(M,i) = 0.0;
Y(M,i) = 0.0;
Z(M,i) = bs->cell_frequencies[i] / bs->w_avg;
}
realtype reltol = RCONST(1.0e-14);
realtype abstol = RCONST(1.0e-14);
void *cvode_mem = CVodeCreate(CV_ADAMS, CV_FUNCTIONAL);
if (check_flag((void *)cvode_mem, "CVodeCreate", 0)) return(1);
int flag;
//TODO: check if flag should be pointer;
flag = CVodeInit(cvode_mem, bloch_equations, 0.0, M);
if (check_flag(&flag, "CVodeInit", 1)) return(1);
flag = CVodeSetUserData(cvode_mem, bs);
if (check_flag(&flag, "CVodeSetUserData", 1)) return(1);
flag = CVodeSStolerances(cvode_mem, reltol, abstol);
if (check_flag(&flag, "CVodeSetUserData", 1)) return(1);
flag = CVDense(cvode_mem, 3 * bs->num_cells);
if (check_flag(&flag, "CVDense", 1)) return(1);
flag = CVDlsSetDenseJacFn(cvode_mem, bloch_jacobian);
if (check_flag(&flag, "CVDlsSetDenseJacFn", 1)) return(1);
///////////////////////////
// PI/2 PULSE SIMULATION //
///////////////////////////
bs->rf_on = 1;
flag = CVodeSetStopTime(cvode_mem, bs->pi2_duration);
if (check_flag(&flag, "CVodeSetStopTime", 1)) return 1;
realtype time_reached;
flag = CVode(cvode_mem, bs->pi2_duration, M, &time_reached, CV_NORMAL);
if (flag != CV_SUCCESS)
{
printf("ERROR: Failed to simulate Pi/2 pulse\n");
}
// {{{ PI2 PULSE DEBUG STATEMENTS
if (DEBUG)
{
printf("\n");
printf("#####################################\n");
printf("### PI/2 PULSE SIMULATION DETAILS ###\n");
printf("#####################################\n");
printf("\n");
printf("TIME REACHED: %.15e\n", time_reached);
printf("TIME REACHED - PI2_DURATION: %.15e\n", time_reached - bs->pi2_duration);
printf("\n");
printf("MAGNETIZATION AT END OF PI/2 PULSE:\n");
for (i = 0; i<bs->num_cells; ++i)
{
printf("CELL %d: %.4e, %.4e, %.4e\n", i, X(M,i), Y(M,i), Z(M,i));
}
}
// }}}
////////////////////
// FID SIMULATION //
////////////////////
bs->rf_on = 0;
if (DEBUG)
{
printf("##############################\n");
printf("### FID SIMULATION DETAILS ###\n");
printf("##############################\n");
}
flag = CVodeReInit(cvode_mem, 0.0, M);
if (check_flag(&flag, "CVodeReInit", 1)) return(1);
time_reached = 0.0;
flag = CVodeSetStopTime(cvode_mem, bs->fid_duration);
if (check_flag(&flag, "CVodeSetStopTime", 1)) return 1;
flag = CVodeRootInit(cvode_mem, 1, bloch_root);
if (check_flag(&flag, "CVodeRootInit", 1)) return 1;
realtype time_desired, M_FID_X;
while (time_reached < bs->fid_duration)
{
time_desired = time_reached + bs->fid_sampling_interval;
flag = CVode(cvode_mem, time_desired, M, &time_reached, CV_NORMAL);
if (flag == CV_ROOT_RETURN)
{
bs->zero_crossings[bs->num_zero_crossings] = time_reached;
M_FID_X = 0.0;
for (i=0; i < bs->num_cells; i++)
{
M_FID_X += X(M,i) * cos(bs->w_avg * time_reached);
M_FID_X += Y(M,i) * sin(bs->w_avg * time_reached);
}
bs->envelope[bs->num_zero_crossings] = M_FID_X / bs->num_cells;
bs->num_zero_crossings++;
}
}
bs->zero_crossings = (realtype*) realloc(bs->zero_crossings, sizeof(realtype) * bs->num_zero_crossings);
bs->envelope = (realtype*) realloc(bs->envelope, sizeof(realtype) * bs->num_zero_crossings);
if (!bs->zero_crossings || !bs->envelope) {
printf("ERROR: reallocating zero crossing and/or envelope array memory failed!\n");
exit(1);
}
N_VDestroy_Serial(M);
CVodeFree(&cvode_mem);
return 0;
}
bool Bloch_McConnell_CV_Model::Calculate(double next_tStop){
if ( m_world->time < RTOL)
m_world->time += RTOL;
CVodeSetStopTime(m_cvode_mem,next_tStop);
cout<<NV_Ith_S( ((bmnvec*) (m_world->solverSettings))->y,ZC ) << " "<< NV_Ith_S( ((bmnvec*) (m_world->solverSettings))->y,ZC+3 )<<endl;
int flag;
#ifndef CVODE26
flag = CVode(m_cvode_mem, m_world->time, ((bmnvec*) (m_world->solverSettings))->y, &m_tpoint, CV_NORMAL_TSTOP);
#else
do {
flag=CVode(m_cvode_mem, m_world->time, ((bmnvec*) (m_world->solverSettings))->y, &m_tpoint, CV_NORMAL);
} while ((flag==CV_TSTOP_RETURN) && (m_world->time-TIME_ERR_TOL > m_tpoint ));
#endif
if(flag < 0)
m_world->solverSuccess=false;
//reinit needed?
if ( m_world->phase == -2.0 && m_world->solverSuccess ) {
#ifndef CVODE26
CVodeReInit(m_cvode_mem,bloch,m_world->time + TIME_ERR_TOL,((bmnvec*) (m_world->solverSettings))->y,CV_SV,m_reltol,((bmnvec*) (m_world->solverSettings))->abstol);
#else
CVodeReInit(m_cvode_mem,m_world->time + TIME_ERR_TOL,((bmnvec*) (m_world->solverSettings))->y);
#endif
// avoiding warnings: (no idea why initial guess of steplength does not work right here...)
CVodeSetInitStep(m_cvode_mem,m_world->pAtom->GetDuration()/1e9);
}
// loop over pools, stepsize NEQ
for ( int i = 0; i< m_ncomp*NEQ; i+=NEQ ) {
double solution_dummy_x = NV_Ith_S(((bmnvec*) (m_world->solverSettings))->y, XC+i );
double solution_dummy_y = NV_Ith_S(((bmnvec*) (m_world->solverSettings))->y, YC+i );
m_world->solution[AMPL+i] = sqrt(solution_dummy_x*solution_dummy_x + solution_dummy_y*solution_dummy_y);
if (m_world->solution[AMPL+i] < EPS)
m_world->solution[PHASE+i] = 0;
else
if (solution_dummy_y < 0 )
m_world->solution[PHASE+i] = 2*PI - acos(solution_dummy_x / m_world->solution[AMPL+i]);
else
m_world->solution[PHASE+i] = acos(solution_dummy_x / m_world->solution[AMPL+i]);
m_world->solution[ZC+i] = NV_Ith_S(((bmnvec*) (m_world->solverSettings))->y, ZC+i );
// Kaveh, hier sind dann alle pools gleich :(
//cout << " bloch solution "<<m_world->solution[ZC+i]<< " " <<" i " << i <<endl;
}
//higher accuray than 1e-10 not useful. Return success and hope for the best.
if(m_reltol < 1e-10)
m_world->solverSuccess=true;
return m_world->solverSuccess;
}
int jmi_ode_cvode_solve(jmi_ode_solver_t* solver, realtype time_final, int initialize){
int flag = 0,retval = 0;
jmi_ode_cvode_t* integrator = (jmi_ode_cvode_t*)solver->integrator;
jmi_ode_problem_t* problem = solver -> ode_problem;
realtype tret/*,*y*/;
realtype time;
char step_event = 0; /* boolean step_event = FALSE */
if (initialize==JMI_TRUE){
/* statements unused*/
/*
if (problem->n_real_x > 0) {
y = NV_DATA_S(integrator->y_work);
y = problem->states;
}
*/
memcpy (NV_DATA_S(integrator->y_work), problem->states, problem->n_real_x*sizeof(jmi_real_t));
time = problem->time;
flag = CVodeReInit(integrator->cvode_mem, time, integrator->y_work);
if (flag<0){
jmi_log_node(problem->log, logError, "Error", "Failed to re-initialize the solver. "
"Returned with <error_flag: %d>", flag);
return JMI_ODE_ERROR;
}
}
/* Dont integrate past t_stop */
flag = CVodeSetStopTime(integrator->cvode_mem, time_final);
if (flag < 0){
jmi_log_node(problem->log, logError, "Error", "Failed to specify the stop time. "
"Returned with <error_flag: %d>", flag);
return JMI_ODE_ERROR;
}
/*
flag = CVode(integrator->cvode_mem, time_final, integrator->y_work, &tret, CV_NORMAL);
if(flag<0){
jmi_log_node(problem->log, logError, "Error", "Failed to calculate the next step. "
"Returned with <error_flag: %d>", flag);
return JMI_ODE_ERROR;
}
*/
flag = CV_SUCCESS;
while (flag == CV_SUCCESS) {
/* Perform a step */
flag = CVode(integrator->cvode_mem, time_final, integrator->y_work, &tret, CV_ONE_STEP);
if(flag<0){
jmi_log_node(problem->log, logError, "Error", "Failed to calculate the next step. "
"Returned with <error_flag: %d>", flag);
return JMI_ODE_ERROR;
}
/* After each step call completed integrator step */
retval = problem->complete_step_func(problem, &step_event);
if (retval != 0) {
jmi_log_node(problem->log, logError, "Error", "Failed to complete an integrator step. "
"Returned with <error_flag: %d>", retval);
return JMI_ODE_ERROR;
}
if (step_event == TRUE) {
jmi_log_node(problem->log, logInfo, "STEPEvent", "An event was detected at <t:%g>", tret);
return JMI_ODE_EVENT;
}
}
/*
time = problem->time;
if (time != tret) {
flag = problem->rhs_func(problem, tret, NV_DATA_S(integrator->y_work), problem->states_derivative);
if(flag != 0) {
jmi_log_node(problem->log, logWarning, "Warning", "Evaluating the derivatives failed (recoverable error). "
"Returned with <warningFlag: %d>", flag);
return JMI_ODE_ERROR;
}
printf("Difference at time %g\n",tret);
}
*/
if (flag == CV_ROOT_RETURN){
jmi_log_node(problem->log, logInfo, "CVODEEvent", "An event was detected at <t:%g>", tret);
return JMI_ODE_EVENT;
}
return JMI_ODE_OK;
}
int main()
{
void *cvode_mem;
SUNMatrix A;
SUNLinearSolver LS;
N_Vector y;
int flag, ret;
realtype reltol, abstol, t0, t1, t2, t;
long int nst1, nst2, nst;
reltol = RCONST(1.0e-3);
abstol = RCONST(1.0e-4);
t0 = RCONST(0.0);
t1 = RCONST(1.0);
t2 = RCONST(2.0);
/* Allocate the vector of initial conditions */
y = N_VNew_Serial(NEQ);
/* Set initial condition */
NV_Ith_S(y,0) = RCONST(1.0);
/*
* ------------------------------------------------------------
* Shared initialization and setup
* ------------------------------------------------------------
*/
/* Call CVodeCreate to create CVODE memory block and specify the
* Backward Differentiaion Formula */
cvode_mem = CVodeCreate(CV_BDF);
if (check_flag((void *)cvode_mem, "CVodeCreate", 0)) return(1);
/* Call CVodeInit to initialize integrator memory and specify the
* user's right hand side function y'=f(t,y), the initial time T0
* and the initial condiition vector y. */
ret = CVodeInit(cvode_mem, f, t0, y);
if (check_flag((void *)&ret, "CVodeInit", 1)) return(1);
/* Call CVodeSStolerances to specify integration tolereances,
* specifically the scalar relative and absolute tolerance. */
ret = CVodeSStolerances(cvode_mem, reltol, abstol);
if (check_flag((void *)&ret, "CVodeSStolerances", 1)) return(1);
/* Provide RHS flag as user data which can be access in user provided routines */
ret = CVodeSetUserData(cvode_mem, &flag);
if (check_flag((void *)&ret, "CVodeSetUserData", 1)) return(1);
/* Create dense SUNMatrix for use in linear solver */
A = SUNDenseMatrix(NEQ, NEQ);
if (check_flag((void *)A, "SUNDenseMatrix", 0)) return(1);
/* Create dense linear solver for use by CVode */
LS = SUNLinSol_Dense(y, A);
if (check_flag((void *)LS, "SUNLinSol_Dense", 0)) return(1);
/* Attach the linear solver and matrix to CVode by calling CVodeSetLinearSolver */
ret = CVodeSetLinearSolver(cvode_mem, LS, A);
if (check_flag((void *)&ret, "CVodeSetLinearSolver", 1)) return(1);
/*
* ---------------------------------------------------------------
* Discontinuity in the solution
*
* 1) Integrate to the discontinuity
* 2) Integrate from the discontinuity
* ---------------------------------------------------------------
*/
/* ---- Integrate to the discontinuity */
printf("\nDiscontinuity in solution\n\n");
/* set TSTOP (max time solution proceeds to) - this is not required */
ret = CVodeSetStopTime(cvode_mem, t1);
if (check_flag((void *)&ret, "CVodeSetStopTime", 1)) return(1);
flag = RHS1; /* use -y for RHS */
t = t0; /* set the integrator start time */
printf("%12.8e %12.8e\n",t,NV_Ith_S(y,0));
while (t<t1) {
/* advance solver just one internal step */
ret = CVode(cvode_mem, t1, y, &t, CV_ONE_STEP);
if (check_flag((void *)&ret, "CVode", 1)) return(1);
printf("%12.8e %12.8e\n",t,NV_Ith_S(y,0));
}
/* Get the number of steps the solver took to get to the discont. */
ret = CVodeGetNumSteps(cvode_mem, &nst1);
if (check_flag((void *)&ret, "CvodeGetNumSteps", 1)) return(1);
/* ---- Integrate from the discontinuity */
/* Include discontinuity */
NV_Ith_S(y,0) = RCONST(1.0);
/* Reinitialize the solver */
ret = CVodeReInit(cvode_mem, t1, y);
if (check_flag((void *)&ret, "CVodeReInit", 1)) return(1);
/* set TSTOP (max time solution proceeds to) - this is not required */
ret = CVodeSetStopTime(cvode_mem, t2);
if (check_flag((void *)&ret, "CVodeSetStopTime", 1)) return(1);
flag = RHS1; /* use -y for RHS */
t = t1; /* set the integrator start time */
printf("%12.8e %12.8e\n",t,NV_Ith_S(y,0));
while (t<t2) {
/* advance solver just one internal step */
ret = CVode(cvode_mem, t2, y, &t, CV_ONE_STEP);
if (check_flag((void *)&ret, "CVode", 1)) return(1);
printf("%12.8e %12.8e\n",t,NV_Ith_S(y,0));
}
/* Get the number of steps the solver took after the discont. */
ret = CVodeGetNumSteps(cvode_mem, &nst2);
if (check_flag((void *)&ret, "CvodeGetNumSteps", 1)) return(1);
/* Print statistics */
nst = nst1 + nst2;
printf("\nNumber of steps: %ld + %ld = %ld\n",nst1, nst2, nst);
/*
* ---------------------------------------------------------------
* Discontinuity in RHS: Case 1 - explicit treatment
* Note that it is not required to set TSTOP, but without it
* we would have to find y(t1) to reinitialize the solver.
* ---------------------------------------------------------------
*/
printf("\nDiscontinuity in RHS: Case 1 - explicit treatment\n\n");
/* Set initial condition */
NV_Ith_S(y,0) = RCONST(1.0);
/* Reinitialize the solver. CVodeReInit does not reallocate memory
* so it can only be used when the new problem size is the same as
* the problem size when CVodeCreate was called. */
ret = CVodeReInit(cvode_mem, t0, y);
if (check_flag((void *)&ret, "CVodeReInit", 1)) return(1);
/* ---- Integrate to the discontinuity */
/* Set TSTOP (max time solution proceeds to) to location of discont. */
ret = CVodeSetStopTime(cvode_mem, t1);
if (check_flag((void *)&ret, "CVodeSetStopTime", 1)) return(1);
flag = RHS1; /* use -y for RHS */
t = t0; /* set the integrator start time */
printf("%12.8e %12.8e\n",t,NV_Ith_S(y,0));
while (t<t1) {
/* advance solver just one internal step */
ret = CVode(cvode_mem, t1, y, &t, CV_ONE_STEP);
if (check_flag((void *)&ret, "CVode", 1)) return(1);
printf("%12.8e %12.8e\n",t,NV_Ith_S(y,0));
}
/* Get the number of steps the solver took to get to the discont. */
ret = CVodeGetNumSteps(cvode_mem, &nst1);
if (check_flag((void *)&ret, "CvodeGetNumSteps", 1)) return(1);
/* If TSTOP was not set, we'd need to find y(t1): */
/* CVodeGetDky(cvode_mem, t1, 0, y); */
/* ---- Integrate from the discontinuity */
/* Reinitialize solver */
ret = CVodeReInit(cvode_mem, t1, y);
/* set TSTOP (max time solution proceeds to) - this is not required */
ret = CVodeSetStopTime(cvode_mem, t2);
if (check_flag((void *)&ret, "CVodeSetStopTime", 1)) return(1);
flag = RHS2; /* use -5y for RHS */
t = t1; /* set the integrator start time */
printf("%12.8e %12.8e\n",t,NV_Ith_S(y,0));
while (t<t2) {
/* advance solver just one internal step */
ret = CVode(cvode_mem, t2, y, &t, CV_ONE_STEP);
if (check_flag((void *)&ret, "CVode", 1)) return(1);
printf("%12.8e %12.8e\n",t,NV_Ith_S(y,0));
}
/* Get the number of steps the solver took after the discont. */
ret = CVodeGetNumSteps(cvode_mem, &nst2);
if (check_flag((void *)&ret, "CvodeGetNumSteps", 1)) return(1);
/* Print statistics */
nst = nst1 + nst2;
printf("\nNumber of steps: %ld + %ld = %ld\n",nst1, nst2, nst);
/*
* ---------------------------------------------------------------
* Discontinuity in RHS: Case 2 - let CVODE deal with it
* Note that here we MUST set TSTOP to ensure that the
* change in the RHS happens at the appropriate time
* ---------------------------------------------------------------
*/
printf("\nDiscontinuity in RHS: Case 2 - let CVODE deal with it\n\n");
/* Set initial condition */
NV_Ith_S(y,0) = RCONST(1.0);
/* Reinitialize the solver. CVodeReInit does not reallocate memory
* so it can only be used when the new problem size is the same as
* the problem size when CVodeCreate was called. */
ret = CVodeReInit(cvode_mem, t0, y);
if (check_flag((void *)&ret, "CVodeReInit", 1)) return(1);
/* ---- Integrate to the discontinuity */
/* Set TSTOP (max time solution proceeds to) to location of discont. */
ret = CVodeSetStopTime(cvode_mem, t1);
if (check_flag((void *)&ret, "CVodeSetStopTime", 1)) return(1);
flag = RHS1; /* use -y for RHS */
t = t0; /* set the integrator start time */
printf("%12.8e %12.8e\n",t,NV_Ith_S(y,0));
while (t<t1) {
/* advance solver just one internal step */
ret = CVode(cvode_mem, t1, y, &t, CV_ONE_STEP);
if (check_flag((void *)&ret, "CVode", 1)) return(1);
printf("%12.8e %12.8e\n",t,NV_Ith_S(y,0));
}
/* Get the number of steps the solver took to get to the discont. */
ret = CVodeGetNumSteps(cvode_mem, &nst1);
if (check_flag((void *)&ret, "CvodeGetNumSteps", 1)) return(1);
/* ---- Integrate from the discontinuity */
/* set TSTOP (max time solution proceeds to) - this is not required */
ret = CVodeSetStopTime(cvode_mem, t2);
if (check_flag((void *)&ret, "CVodeSetStopTime", 1)) return(1);
flag = RHS2; /* use -5y for RHS */
t = t1; /* set the integrator start time */
printf("%12.8e %12.8e\n",t,NV_Ith_S(y,0));
while (t<t2) {
/* advance solver just one internal step */
ret = CVode(cvode_mem, t2, y, &t, CV_ONE_STEP);
if (check_flag((void *)&ret, "CVode", 1)) return(1);
printf("%12.8e %12.8e\n",t,NV_Ith_S(y,0));
}
/* Get the number of steps the solver took after the discont. */
ret = CVodeGetNumSteps(cvode_mem, &nst);
if (check_flag((void *)&ret, "CvodeGetNumSteps", 1)) return(1);
/* Print statistics */
nst2 = nst - nst1;
printf("\nNumber of steps: %ld + %ld = %ld\n",nst1, nst2, nst);
/* Free memory */
N_VDestroy(y);
SUNMatDestroy(A);
SUNLinSolFree(LS);
CVodeFree(&cvode_mem);
return(0);
}
void Cvode::CVodeCore()
{
_idid = CVodeReInit(_cvodeMem, _tCurrent, _CV_y);
_idid = CVodeSetStopTime(_cvodeMem, _tEnd);
_idid = CVodeSetInitStep(_cvodeMem, 1e-12);
if (_idid < 0)
throw ModelicaSimulationError(SOLVER,"CVode::ReInit");
bool writeEventOutput = (_settings->getGlobalSettings()->getOutputPointType() == OPT_ALL);
bool writeOutput = !(_settings->getGlobalSettings()->getOutputPointType() == OPT_NONE);
while ((_solverStatus & ISolver::CONTINUE) && !_interrupt )
{
_cv_rt = CVode(_cvodeMem, _tEnd, _CV_y, &_tCurrent, CV_ONE_STEP);
_idid = CVodeGetNumSteps(_cvodeMem, &_locStps);
if (_idid != CV_SUCCESS)
throw ModelicaSimulationError(SOLVER,"CVodeGetNumSteps failed. The cvode mem pointer is NULL");
_idid = CVodeGetLastStep(_cvodeMem, &_h);
if (_idid != CV_SUCCESS)
throw ModelicaSimulationError(SOLVER,"CVodeGetLastStep failed. The cvode mem pointer is NULL");
//set completed step to system and check if terminate was called
if(_continuous_system->stepCompleted(_tCurrent))
_solverStatus = DONE;
//Check if there was at least one output-point within the last solver interval
// -> Write output if true
if (writeOutput)
{
writeCVodeOutput(_tCurrent, _h, _locStps);
}
#ifdef RUNTIME_PROFILING
MEASURETIME_REGION_DEFINE(cvodeStepCompletedHandler, "CVodeStepCompleted");
if(MeasureTime::getInstance() != NULL)
{
MEASURETIME_START(measuredFunctionStartValues, cvodeStepCompletedHandler, "CVodeStepCompleted");
}
#endif
#ifdef RUNTIME_PROFILING
if(MeasureTime::getInstance() != NULL)
{
MEASURETIME_END(measuredFunctionStartValues, measuredFunctionEndValues, (*measureTimeFunctionsArray)[5], cvodeStepCompletedHandler);
}
#endif
// Perform state selection
bool state_selection = stateSelection();
if (state_selection)
_continuous_system->getContinuousStates(_z);
_zeroFound = false;
// Check if step was successful
if (check_flag(&_cv_rt, "CVode", 1))
{
_solverStatus = ISolver::SOLVERERROR;
break;
}
// A root was found
if ((_cv_rt == CV_ROOT_RETURN) && !isInterrupted())
{
// CVode is setting _tCurrent to the time where the first event occurred
double _abs = fabs(_tLastEvent - _tCurrent);
_zeroFound = true;
if ((_abs < 1e-3) && _event_n == 0)
{
_tLastEvent = _tCurrent;
_event_n++;
}
else if ((_abs < 1e-3) && (_event_n >= 1 && _event_n < 500))
{
_event_n++;
}
else if ((_abs >= 1e-3))
{
//restart event counter
_tLastEvent = _tCurrent;
_event_n = 0;
}
else
throw ModelicaSimulationError(EVENT_HANDLING,"Number of events exceeded in time interval " + to_string(_abs) + " at time " + to_string(_tCurrent));
// CVode has interpolated the states at time 'tCurrent'
_time_system->setTime(_tCurrent);
// To get steep steps in the result file, two value points (P1 and P2) must be added
//
// Y | (P2) X...........
// | :
// | :
// |........X (P1)
// |---------------------------------->
// | ^ t
// _tCurrent
// Write the values of (P1)
if (writeEventOutput)
{
_continuous_system->evaluateAll(IContinuous::CONTINUOUS);
writeToFile(0, _tCurrent, _h);
}
_idid = CVodeGetRootInfo(_cvodeMem, _zeroSign);
for (int i = 0; i < _dimZeroFunc; i++)
_events[i] = bool(_zeroSign[i]);
if (_mixed_system->handleSystemEvents(_events))
{
// State variables were reinitialized, thus we have to give these values to the cvode-solver
// Take care about the memory regions, _z is the same like _CV_y
_continuous_system->getContinuousStates(_z);
}
}
if ((_zeroFound || state_selection)&& !isInterrupted())
{
// Write the values of (P2)
if (writeEventOutput)
{
// If we want to write the event-results, we should evaluate the whole system again
_continuous_system->evaluateAll(IContinuous::CONTINUOUS);
writeToFile(0, _tCurrent, _h);
}
_idid = CVodeReInit(_cvodeMem, _tCurrent, _CV_y);
if (_idid < 0)
throw ModelicaSimulationError(SOLVER,"CVode::ReInit()");
// Der Eventzeitpunkt kann auf der Endzeit liegen (Time-Events). In diesem Fall wird der Solver beendet, da CVode sonst eine interne Warnung schmeißt
if (_tCurrent == _tEnd)
_cv_rt = CV_TSTOP_RETURN;
if(_continuous_system->stepCompleted(_tCurrent))
_solverStatus = DONE;
}
// Zähler für die Anzahl der ausgegebenen Schritte erhöhen
++_outStps;
_tLastSuccess = _tCurrent;
if (_cv_rt == CV_TSTOP_RETURN)
{
_time_system->setTime(_tEnd);
//Solver has finished calculation - calculate the final values
_continuous_system->setContinuousStates(NV_DATA_S(_CV_y));
_continuous_system->evaluateAll(IContinuous::CONTINUOUS);
if(writeOutput)
writeToFile(0, _tEnd, _h);
_accStps += _locStps;
_solverStatus = DONE;
}
}
}
void FCV_MALLOC(realtype *t0, realtype *y0,
int *meth, int *itmeth, int *iatol,
realtype *rtol, realtype *atol,
int *optin, long int *iopt, realtype *ropt,
int *ier)
{
int lmm, iter, itol;
void *atolptr;
atolptr = NULL;
if(F2C_vec->ops->nvgetarraypointer == NULL ||
F2C_vec->ops->nvsetarraypointer == NULL) {
*ier = -1;
printf("A required vector operation is not implemented.\n\n");
return;
}
/* Save the data array in F2C_vec into data_F2C_vec and then
overwrite it with y0 */
data_F2C_vec = N_VGetArrayPointer(F2C_vec);
N_VSetArrayPointer(y0, F2C_vec);
lmm = (*meth == 1) ? CV_ADAMS : CV_BDF;
iter = (*itmeth == 1) ? CV_FUNCTIONAL : CV_NEWTON;
switch (*iatol) {
case 1:
F2C_atolvec = NULL;
itol = CV_SS;
atolptr = (void *) atol;
break;
case 2:
F2C_atolvec = N_VClone(F2C_vec);
data_F2C_atolvec = N_VGetArrayPointer(F2C_atolvec);
N_VSetArrayPointer(atol, F2C_atolvec);
itol = CV_SV;
atolptr = (void *) F2C_atolvec;
break;
case 3:
F2C_atolvec = NULL;
itol = CV_WF;
break;
}
/*
Call CVodeCreate, CVodeSet*, and CVodeMalloc to initialize CVODE:
lmm is the method specifier
iter is the iteration method specifier
CVf is the user's right-hand side function in y'=f(t,y)
*t0 is the initial time
F2C_vec is the initial dependent variable vector
itol specifies tolerance type
rtol is the scalar relative tolerance
atolptr is the absolute tolerance pointer (to scalar or vector or function)
A pointer to CVODE problem memory is createded and stored in CV_cvodemem.
*/
*ier = 0;
CV_cvodemem = CVodeCreate(lmm, iter);
if (CV_cvodemem == NULL) {
*ier = -1;
return;
}
if (*optin == 1) {
CV_optin = TRUE;
if (iopt[0] > 0) CVodeSetMaxOrd(CV_cvodemem, (int)iopt[0]);
if (iopt[1] > 0) CVodeSetMaxNumSteps(CV_cvodemem, iopt[1]);
if (iopt[2] > 0) CVodeSetMaxHnilWarns(CV_cvodemem, (int)iopt[2]);
if (iopt[13] > 0) CVodeSetStabLimDet(CV_cvodemem, TRUE);
if (iopt[21] > 0) CVodeSetMaxErrTestFails(CV_cvodemem, (int)iopt[21]);
if (iopt[22] > 0) CVodeSetMaxNonlinIters(CV_cvodemem, (int)iopt[22]);
if (iopt[23] > 0) CVodeSetMaxConvFails(CV_cvodemem, (int)iopt[23]);
if (ropt[0] != ZERO) CVodeSetInitStep(CV_cvodemem, ropt[0]);
if (ropt[1] > ZERO) CVodeSetMaxStep(CV_cvodemem, ropt[1]);
if (ropt[2] > ZERO) CVodeSetMinStep(CV_cvodemem, ropt[2]);
if (ropt[7] != ZERO) CVodeSetStopTime(CV_cvodemem, ropt[7]);
if (ropt[8] > ZERO) CVodeSetNonlinConvCoef(CV_cvodemem, ropt[8]);
} else {
CV_optin = FALSE;
}
*ier = CVodeMalloc(CV_cvodemem, FCVf, *t0, F2C_vec, itol, *rtol, atolptr);
/* reset data pointer into F2C_vec */
N_VSetArrayPointer(data_F2C_vec, F2C_vec);
/* destroy F2C_atolvec if allocated */
if (F2C_atolvec != NULL) {
N_VSetArrayPointer(data_F2C_atolvec, F2C_atolvec);
N_VDestroy(F2C_atolvec);
}
if(*ier != CV_SUCCESS) {
*ier = -1;
return;
}
/* Store the unit roundoff in ropt for user access */
ropt[9] = UNIT_ROUNDOFF;
CV_iopt = iopt;
CV_ropt = ropt;
return;
}
void FCV_REINIT(realtype *t0, realtype *y0, int *iatol, realtype *rtol,
realtype *atol, int *optin, long int *iopt,
realtype *ropt, int *ier)
{
int itol;
void *atolptr;
atolptr = NULL;
N_VSetArrayPointer(y0, F2C_vec);
switch (*iatol) {
case 1:
itol = CV_SS;
atolptr = (void *) atol;
break;
case 2:
F2C_atolvec = N_VClone(F2C_vec);
data_F2C_atolvec = N_VGetArrayPointer(F2C_atolvec);
N_VSetArrayPointer(atol, F2C_atolvec);
itol = CV_SV;
atolptr = (void *) F2C_atolvec;
break;
case 3:
itol = CV_WF;
}
/*
Call CVodeSet* and CVReInit to re-initialize CVODE:
CVf is the user's right-hand side function in y'=f(t,y)
t0 is the initial time
F2C_vec is the initial dependent variable vector
itol specifies tolerance type
rtol is the scalar relative tolerance
atolptr is the absolute tolerance pointer (to scalar or vector or function)
*/
if (*optin == 1) {
CV_optin = TRUE;
if (iopt[0] > 0) CVodeSetMaxOrd(CV_cvodemem, (int)iopt[0]);
if (iopt[1] > 0) CVodeSetMaxNumSteps(CV_cvodemem, iopt[1]);
if (iopt[2] > 0) CVodeSetMaxHnilWarns(CV_cvodemem, (int)iopt[2]);
if (iopt[13] > 0) CVodeSetStabLimDet(CV_cvodemem, TRUE);
if (iopt[21] > 0) CVodeSetMaxErrTestFails(CV_cvodemem, (int)iopt[21]);
if (iopt[22] > 0) CVodeSetMaxNonlinIters(CV_cvodemem, (int)iopt[22]);
if (iopt[23] > 0) CVodeSetMaxConvFails(CV_cvodemem, (int)iopt[23]);
if (ropt[0] != ZERO) CVodeSetInitStep(CV_cvodemem, ropt[0]);
if (ropt[1] > ZERO) CVodeSetMaxStep(CV_cvodemem, ropt[1]);
if (ropt[2] > ZERO) CVodeSetMinStep(CV_cvodemem, ropt[2]);
if (ropt[7] != ZERO) CVodeSetStopTime(CV_cvodemem, ropt[7]);
if (ropt[8] > ZERO) CVodeSetNonlinConvCoef(CV_cvodemem, ropt[8]);
} else {
CV_optin = FALSE;
}
*ier = CVodeReInit(CV_cvodemem, FCVf, *t0, F2C_vec, itol, *rtol, atolptr);
/* reset data pointer into F2C_vec */
N_VSetArrayPointer(data_F2C_vec, F2C_vec);
/* destroy F2C_atolvec if allocated */
if (F2C_atolvec != NULL) {
N_VSetArrayPointer(data_F2C_atolvec, F2C_atolvec);
N_VDestroy(F2C_atolvec);
}
if (*ier != CV_SUCCESS) {
*ier = -1;
return;
}
CV_iopt = iopt;
CV_ropt = ropt;
return;
}
