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Solaris 64 bit port modifications

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This commit is contained in:
Harry Moffat 2008-01-07 21:53:22 +00:00
parent 3833b0e150
commit 785de7f42c
13 changed files with 39 additions and 49 deletions
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8
Cantera/src/equil/ChemEquil.cpp
View file

@ -883,7 +883,7 @@ namespace Cantera {
"Jacobian is singular. \nTry adding more species, "
"changing the elemental composition slightly, \nor removing "
"unused elements.");
return -3;
//return -3;
}
// find the factor by which the Newton step can be multiplied
@ -934,7 +934,7 @@ namespace Cantera {
s.restoreState(state);
throw CanteraError("equilibrate",
"Cannot find an acceptable Newton damping coefficient.");
return -4;
//return -4;
}
} else {
fail = 0;
@ -1037,7 +1037,7 @@ namespace Cantera {
throw CanteraError("equilibrate",
"no convergence in "+int2str(options.maxIterations)
+" iterations.");
return -1;
//return -1;
}
goto next;
}
@ -1825,7 +1825,7 @@ namespace Cantera {
"Jacobian is singular. \nTry adding more species, "
"changing the elemental composition slightly, \nor removing "
"unused elements.");
return -3;
//return -3;
}
/*

4
Cantera/src/equil/Makefile.in
View file

@ -99,10 +99,10 @@ all: $(LIB) $(VLIB) .depends
done)
.cpp.d: Makefile %.o
g++ -MM $(CXX_FLAGS) $(CXX_INCLUDES) $*.cpp > $*.d
@CXX_DEPENDS@ $(CXX_FLAGS) $(CXX_INCLUDES) $*.cpp > $*.d
.c.d: Makefile %.o
g++ -MM $(CXX_FLAGS) $(CXX_INCLUDES) -I../../../ext/f2c_libs $*.c > $*.d
@CXX_DEPENDS@ $(CXX_FLAGS) $(CXX_INCLUDES) -I../../../ext/f2c_libs $*.c > $*.d
.cpp.o:
@CXX@ -c $< $(CXX_FLAGS) $(CXX_INCLUDES)

2
Cantera/src/equil/equilibrate.cpp
View file

@ -62,7 +62,7 @@ namespace Cantera {
endLogGroup("equilibrate");
}
throw CanteraError("equilibrate","unsupported option");
return -1.0;
//return -1.0;
}
}

3
Cantera/src/equil/vcs_MultiPhaseEquil.cpp
View file

@ -1165,7 +1165,6 @@ namespace Cantera {
case cSurf:
plogf("cSurf not handled yet\n");
exit(-1);
break;
case cStoichSubstance:
VolPhase->EqnState = VCS_EOS_STOICH_SUB;
break;
@ -1177,7 +1176,6 @@ namespace Cantera {
case cEdge:
plogf("cEdge not handled yet\n");
exit(-1);
break;
case cIdealSolidSolnPhase0:
case cIdealSolidSolnPhase1:
case cIdealSolidSolnPhase2:
@ -1772,7 +1770,6 @@ namespace Cantera {
counter++;
}
delete eqsolve;
return retn;
}
catch (CanteraError e) {
addLogEntry("Failure.", lastErrorMessage());

4
Cantera/src/equil/vcs_TV.cpp
View file

@ -94,7 +94,7 @@ int VCS_SOLVE::vcs_TV(int ipr, int ip1, int maxit, double T_arg, double VolReque
* (L and MOL_UNITS determined from global units value if__)
*/
double VCS_SOLVE::vcs_VolTotal(double tkelvin, double pres, double w[],
double VolPM[])
double volPM[])
{
double volTot = 0.0;
for (int iphase = 0; iphase < NPhase; iphase++) {
@ -102,7 +102,7 @@ double VCS_SOLVE::vcs_VolTotal(double tkelvin, double pres, double w[],
Vphase->setState_TP(tkelvin, pres);
Vphase->setMolesFromVCS(w);
double volp = Vphase->VolPM_calc();
(void) Vphase->sendToVCSVolPM(VolPM);
(void) Vphase->sendToVCSVolPM(volPM);
volTot += volp;
}
return volTot;

3
Cantera/src/equil/vcs_VolPhase.cpp
View file

@ -336,15 +336,12 @@ void vcs_VolPhase::evaluateActCoeff() const {
case VCS_AC_DEBYE_HUCKEL:
plogf("Not implemented Yet\n");
exit(-1);
break;
case VCS_AC_REGULAR_SOLN:
plogf("Not implemented Yet\n");
exit(-1);
break;
case VCS_AC_MARGULES:
plogf("Not implemented Yet\n");
exit(-1);
break;
default:
plogf("%sERROR: unknown model\n", yo);
exit(-1);

3
Cantera/src/equil/vcs_nasa_poly.h
View file

@ -72,12 +72,11 @@ public:
char PhName[24];
};
/* Externals for vcs_nasa_poly.c */
extern VCS_NASA_POLY *vcs_nasa_poly_create(int, int);
extern void vcs_nasa_poly_free(VCS_NASA_POLY *);
extern void vcs_nasa_poly_destroy(VCS_NASA_POLY **);;
extern void vcs_nasa_poly_destroy(VCS_NASA_POLY **);
extern double vcs_G0_NASA(double, VCS_NASA_POLY *);
extern double vcs_H0_NASA(double, VCS_NASA_POLY *);

20
Cantera/src/equil/vcs_prob.cpp
View file

@ -480,7 +480,7 @@ void VCS_PROB::reportCSV(const std::string &reportFile) {
double Temp = T;
double pres = Pres;
std::vector<double> VolPM(nspecies, 0.0);
std::vector<double> volPM(nspecies, 0.0);
std::vector<double> activity(nspecies, 0.0);;
std::vector<double> ac(nspecies, 0.0);;
std::vector<double> mu(nspecies, 0.0);;
@ -495,14 +495,14 @@ void VCS_PROB::reportCSV(const std::string &reportFile) {
vcs_VolPhase *volP = VPhaseList[iphase];
//const Cantera::ThermoPhase *tptr = volP->ptrThermoPhase();
int nSpeciesPhase = volP->NVolSpecies;
VolPM.resize(nSpeciesPhase, 0.0);
volP->sendToVCSVolPM(VCS_DATA_PTR(VolPM));
volPM.resize(nSpeciesPhase, 0.0);
volP->sendToVCSVolPM(VCS_DATA_PTR(volPM));
double TMolesPhase = volP->TotalMoles();
double VolPhaseVolumes = 0.0;
for (k = 0; k < nSpeciesPhase; k++) {
iK++;
VolPhaseVolumes += VolPM[istart + k] * mf[istart + k];
VolPhaseVolumes += volPM[istart + k] * mf[istart + k];
}
VolPhaseVolumes *= TMolesPhase;
vol += VolPhaseVolumes;
@ -524,7 +524,7 @@ void VCS_PROB::reportCSV(const std::string &reportFile) {
const Cantera::ThermoPhase *tp = volP->ptrThermoPhase();
string phaseName = volP->PhaseName;
int nSpeciesPhase = volP->NVolSpecies;
volP->sendToVCSVolPM(VCS_DATA_PTR(VolPM));
volP->sendToVCSVolPM(VCS_DATA_PTR(volPM));
double TMolesPhase = volP->TotalMoles();
//AssertTrace(TMolesPhase == m_mix->phaseMoles(iphase));
activity.resize(nSpeciesPhase, 0.0);
@ -532,7 +532,7 @@ void VCS_PROB::reportCSV(const std::string &reportFile) {
mu0.resize(nSpeciesPhase, 0.0);
mu.resize(nSpeciesPhase, 0.0);
VolPM.resize(nSpeciesPhase, 0.0);
volPM.resize(nSpeciesPhase, 0.0);
molalities.resize(nSpeciesPhase, 0.0);
int actConvention = tp->activityConvention();
@ -540,11 +540,11 @@ void VCS_PROB::reportCSV(const std::string &reportFile) {
tp->getActivityCoefficients(VCS_DATA_PTR(ac));
tp->getStandardChemPotentials(VCS_DATA_PTR(mu0));
tp->getPartialMolarVolumes(VCS_DATA_PTR(VolPM));
tp->getPartialMolarVolumes(VCS_DATA_PTR(volPM));
tp->getChemPotentials(VCS_DATA_PTR(mu));
double VolPhaseVolumes = 0.0;
for (k = 0; k < nSpeciesPhase; k++) {
VolPhaseVolumes += VolPM[k] * mf[istart + k];
VolPhaseVolumes += volPM[k] * mf[istart + k];
}
VolPhaseVolumes *= TMolesPhase;
vol += VolPhaseVolumes;
@ -574,7 +574,7 @@ void VCS_PROB::reportCSV(const std::string &reportFile) {
mf[istart + k], molalities[k], ac[k], activity[k],
mu0[k]*1.0E-6, mu[k]*1.0E-6,
mf[istart + k] * TMolesPhase,
VolPM[k], VolPhaseVolumes );
volPM[k], VolPhaseVolumes );
}
} else {
@ -599,7 +599,7 @@ void VCS_PROB::reportCSV(const std::string &reportFile) {
mf[istart + k], molalities[k], ac[k],
activity[k], mu0[k]*1.0E-6, mu[k]*1.0E-6,
mf[istart + k] * TMolesPhase,
VolPM[k], VolPhaseVolumes );
volPM[k], VolPhaseVolumes );
}
}

4
Cantera/src/equil/vcs_report.cpp
View file

@ -26,8 +26,8 @@ static void print_space(int num)
}
}
static void print_line(char *schar, int num) {
for (int j = 0; j < num; j++) plogf("%s", schar);
static void print_line(std::string schar, int num) {
for (int j = 0; j < num; j++) plogf("%s", schar.c_str());
plogf("\n");
}

12
Cantera/src/equil/vcs_setMolesLinProg.cpp
View file

@ -61,7 +61,7 @@ int VCS_SOLVE::vcs_setMolesLinProg() {
double test = -1.0E-10;
#ifdef DEBUG
char *pprefix = " --- seMolesLinProg ";
std::string pprefix(" --- seMolesLinProg ");
if (vcs_debug_print_lvl >= 2) {
plogf(" --- call setInitialMoles\n");
}
@ -107,8 +107,8 @@ int VCS_SOLVE::vcs_setMolesLinProg() {
if (!vcs_elabcheck(0)) {
#ifdef DEBUG
if (vcs_debug_print_lvl >= 2) {
plogf("%s Mole numbers failing element abundances\n", pprefix);
plogf("%sCall vcs_elcorr to attempt fix\n", pprefix);
plogf("%s Mole numbers failing element abundances\n", pprefix.c_str());
plogf("%sCall vcs_elcorr to attempt fix\n", pprefix.c_str());
}
#endif
retn = vcs_elcorr(VCS_DATA_PTR(sm), VCS_DATA_PTR(wx));
@ -184,15 +184,15 @@ int VCS_SOLVE::vcs_setMolesLinProg() {
// step the composition by dxi_min, check against zero, since
// we are zeroing components and species on every step.
// Redo the iteration, if a component went from positive to zero on this step.
double ds = idir*dxi_min;
soln[ik] += ds;
double dsLocal = idir*dxi_min;
soln[ik] += dsLocal;
soln[ik] = MAX(0.0, soln[ik]);
for (jcomp = 0; jcomp < m_numComponents; jcomp++) {
bool full = false;
if (soln[jcomp] > 1.0E-15) {
full = true;
}
soln[jcomp] += sc_irxn[jcomp] * ds;
soln[jcomp] += sc_irxn[jcomp] * dsLocal;
soln[jcomp] = MAX(0.0, soln[jcomp]);
if (full) {
if (soln[jcomp] < 1.0E-60) {

12
Cantera/src/equil/vcs_solve.cpp
View file

@ -771,7 +771,7 @@ namespace VCSnonideal {
*/
int VCS_SOLVE::vcs_prob_specify(const VCS_PROB *pub) {
int kspec, k, i, j, iph;
char *yo = "vcs_prob_specify ERROR: ";
string yo("vcs_prob_specify ERROR: ");
int retn = VCS_SUCCESS;
bool status_change = false;
@ -826,20 +826,20 @@ namespace VCSnonideal {
vcs_VolPhase *pub_phase_ptr = pub->VPhaseList[iph];
if (vPhase->VP_ID != pub_phase_ptr->VP_ID) {
plogf("%sPhase numbers have changed:%d %d\n", yo,
plogf("%sPhase numbers have changed:%d %d\n", yo.c_str(),
vPhase->VP_ID, pub_phase_ptr->VP_ID);
retn = VCS_PUB_BAD;
}
if (vPhase->SingleSpecies != pub_phase_ptr->SingleSpecies) {
plogf("%sSingleSpecies value have changed:%d %d\n", yo,
plogf("%sSingleSpecies value have changed:%d %d\n", yo.c_str(),
vPhase->SingleSpecies,
pub_phase_ptr->SingleSpecies);
retn = VCS_PUB_BAD;
}
if (vPhase->GasPhase != pub_phase_ptr->GasPhase) {
plogf("%sGasPhase value have changed:%d %d\n", yo,
plogf("%sGasPhase value have changed:%d %d\n", yo.c_str(),
vPhase->GasPhase,
pub_phase_ptr->GasPhase);
retn = VCS_PUB_BAD;
@ -848,14 +848,14 @@ namespace VCSnonideal {
vPhase->EqnState = pub_phase_ptr->EqnState;
if (vPhase->NVolSpecies != pub_phase_ptr->NVolSpecies) {
plogf("%sNVolSpecies value have changed:%d %d\n", yo,
plogf("%sNVolSpecies value have changed:%d %d\n", yo.c_str(),
vPhase->NVolSpecies,
pub_phase_ptr->NVolSpecies);
retn = VCS_PUB_BAD;
}
if (vPhase->PhaseName == pub_phase_ptr->PhaseName) {
plogf("%sPhaseName value have changed:%s %s\n", yo,
plogf("%sPhaseName value have changed:%s %s\n", yo.c_str(),
vPhase->PhaseName.c_str(),
pub_phase_ptr->PhaseName.c_str());
retn = VCS_PUB_BAD;

10
Cantera/src/equil/vcs_solve_TP.cpp
View file

@ -50,13 +50,13 @@ static int prnfm(void);
/*****************************************************************************/
#ifdef DEBUG
void VCS_SOLVE::checkDelta1(double * const ds,
void VCS_SOLVE::checkDelta1(double * const dsLocal,
double * const delTPhMoles, int kspec) {
std::vector<double> dchange(NPhase, 0.0);
for (int k = 0; k < kspec; k++) {
if (SpeciesUnknownType[k] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) {
int iph = PhaseID[k];
dchange[iph] += ds[k];
dchange[iph] += dsLocal[k];
}
}
for (int iphase = 0; iphase < NPhase; iphase++) {
@ -4524,7 +4524,7 @@ void VCS_SOLVE::prneav(void)
/*****************************************************************************/
/*****************************************************************************/
double VCS_SOLVE::l2normdg(double dg[])
double VCS_SOLVE::l2normdg(double dgLocal[])
/*************************************************************************
*
@ -4539,9 +4539,9 @@ double VCS_SOLVE::l2normdg(double dg[])
if (m_numRxnRdc <= 0) return 0.0;
for (irxn = 0, tmp = 0.0; irxn < m_numRxnRdc; ++irxn) {
if (spStatus[irxn] == VCS_SPECIES_MAJOR || spStatus[irxn] == VCS_SPECIES_MINOR ||
dg[irxn] < 0.0) {
dgLocal[irxn] < 0.0) {
if (spStatus[irxn] != VCS_SPECIES_ZEROEDMS) {
tmp += dg[irxn] * dg[irxn];
tmp += dgLocal[irxn] * dgLocal[irxn];
}
}
}

3
Cantera/src/equil/vcs_species_thermo.cpp
View file

@ -377,19 +377,16 @@ double VCS_SPECIES_THERMO::eval_ac(int kglob)
plogf("Not implemented Yet\n");
exit(-1);
break;
case VCS_AC_REGULAR_SOLN:
plogf("Not implemented Yet\n");
exit(-1);
break;
case VCS_AC_MARGULES:
plogf("Not implemented Yet\n");
exit(-1);
break;
default:
#ifdef DEBUG
plogf("%sERROR: unknown model\n", yo);