Added -n flag to skip solving BVP

examples/BVP/methane_BVP.sh

@@ -1 +1 @@
-sensBVP -r 1e-06 -a 1e-12 -f 1e-07 -T 900.0 -P 10.0 -m ./mech-FFCM1.cti -c CH4:0.0499002,O2:0.199601,N2:0.750499 -t 1 -s
+sensBVP -r 1e-06 -a 1e-12 -f 1e-07 -T 900.0 -P 10.0 -m ffcm1.cti -c CH4:0.0499002,O2:0.199601,N2:0.750499 -t 1 -s -o

src/Makefile

@@ -1,10 +1,10 @@
 compiler	=g++
-CANTERA_DIR	=/opt/scientific/cantera-2.4_gnu_blas
-CVODE_DIR	=/opt/scientific/sundials-5.1.0
-KINSOL_DIR	=/opt/scientific/sundials-5.1.0
+CANTERA_DIR=/home/vyaas/.local
+CVODE_DIR=/home/vyaas/.local
+KINSOL_DIR=/home/vyaas/.local
 BVPEXE		=sensBVP
 BRUTEEXE	=sensBrute
-DESTDIR		=~/bin
+DESTDIR		=/home/vyaas/.local/bin
 
 CANTERA_INCLUDES=-I$(CANTERA_DIR)/include
 CVODE_INCLUDES	=-I$(CVODE_DIR)/include

src/sensBVP.cpp

@@ -24,7 +24,7 @@ Street, Fifth Floor, Boston, MA  02110-1301, USA.
 #include <time.h>
 
 /*Cantera include files*/
-#include <cantera/IdealGasMix.h>
+#include "IdealGasMix.h"
 
 /*Sundials include files*/
 #include <cvode/cvode.h>               /* prototypes for CVODE fcts., consts.  */
@@ -140,6 +140,7 @@ typedef struct {
 	bool IVPSuccess;
 	bool BVPSuccess;
 	bool sensSuccess;
+	bool solveBVP; 		//The BVP does not HAVE to be solved: use this flag to skip solving it!
 	int nsp,neq,npts,nvar;	//key quantities required in for loops:
 				//nsp-> no: of chemical species
 				//neq-> number of governing equations
@@ -522,21 +523,23 @@ int main(int argc, char *argv[])
 		ier=KINSetPrintLevel(mem,2);
 
   		/* Solve the BVP! */
-  		ier = KINSol(mem,     /* KINSol memory block */
-  		             yp,      /* initial guess on input; solution vector */
-  		             KIN_NONE,//KIN_LINESEARCH,/* global strategy choice */
-  		             scale,   /* scaling vector, for the variable cc */
-  		             scale);  /* scaling vector for function values fval */
-
-  		if (check_flag(&ier, "KINSol", 1)){
-			data->BVPSuccess=false;
-		}else{
-			data->BVPSuccess=true;
-			/* Get scaled norm of the system function */
-			ier = KINGetFuncNorm(mem, &data->ftol);
-			//ier = check_flag(&ier, "KINGetfuncNorm", 1);
-			printf("\nComputed solution (||F|| = %g):\n\n",data->ftol);
-			printf("KinSOL Ignition Delay: %15.6es\n", taup(1));
+		if(data->solveBVP){
+  		  ier = KINSol(mem,     /* KINSol memory block */
+  		               yp,      /* initial guess on input; solution vector */
+  		               KIN_NONE,//KIN_LINESEARCH,/* global strategy choice */
+  		               scale,   /* scaling vector, for the variable cc */
+  		               scale);  /* scaling vector for function values fval */
+
+  		  if (check_flag(&ier, "KINSol", 1)){
+		  	data->BVPSuccess=false;
+		  }else{
+		  	data->BVPSuccess=true;
+		  	/* Get scaled norm of the system function */
+		  	ier = KINGetFuncNorm(mem, &data->ftol);
+		  	//ier = check_flag(&ier, "KINGetfuncNorm", 1);
+		  	printf("\nComputed solution (||F|| = %g):\n\n",data->ftol);
+		  	printf("KinSOL Ignition Delay: %15.6es\n", taup(1));
+		  }
 		}
   		//ier=check_flag(&ier, "KINSol", 1);
 
@@ -549,7 +552,7 @@ int main(int argc, char *argv[])
 
 	/********************************************************/
 	/*Begin sensitivity analysis here:*/
-	if(data->BVPSuccess){
+	if(data->BVPSuccess || !data->solveBVP){
 		/* Create banded SUNMatrix for use in linear solves; bandwidths
 		 * are dictated by the dependence of the solution at a given
 		 * time on one time-step ahead and one time-step behind:*/
@@ -777,6 +780,8 @@ static int parseInput(UserData data, int argc, char *argv[]){
 	data->TIgnFac=0.20;
 	/*Sorting*/
 	data->sort=false;
+	/* Solve two-point BVP: */
+	data->solveBVP=true;
 	/*****************************************************/
 
 	int ier;
@@ -785,7 +790,7 @@ static int parseInput(UserData data, int argc, char *argv[]){
 	char comp[BUFSIZE+1];
 	bool enteredT0, enteredP, enteredMech, enteredComp;
 	enteredT0=enteredP=enteredMech=enteredComp=false;
-	while((opt=getopt(argc,argv,"a:r:f:T:P:m:c:t:q:vsod")) != -1){
+	while((opt=getopt(argc,argv,"a:r:f:T:P:m:c:t:q:vsodn")) != -1){
 		switch(opt){
 			case 'a':
 				data->atol=RCONST(atof(optarg));
@@ -834,6 +839,9 @@ static int parseInput(UserData data, int argc, char *argv[]){
 			case 'q':
 				data->TIgnFac=RCONST(atof(optarg));
 				break;
+			case 'n':
+				data->solveBVP=false;
+				break;
 			default:
 				printInstructions();
 				return(-1);
@@ -1484,6 +1492,7 @@ static void printInstructions(){
 	printf("\n-d :Enables manual dPdt entryspecies sensitivity output\n");
 	printf("\n-o :Enables sorting of ignition delay sensitivity output\n");
 	printf("\n-q :factor that determines ignition temperature (default: 0.2)\n");
+	printf("\n-n :Disables the boundary value problem solver\n");
 	printf("\nexample: <executable> ");
 	printf("-T 1200.0 -P 1.0 -m gri30.cti");
 	printf(" -c H2:1.0,N2:3.76,O2:1.0");

src/sensBrute.cpp

@@ -25,7 +25,7 @@ Street, Fifth Floor, Boston, MA  02110-1301, USA.
 #include <time.h>
 
 /*Cantera include files*/
-#include <cantera/IdealGasMix.h>
+#include "IdealGasMix.h"
 
 /*Sundials include files*/
 #include <cvode/cvode.h>               /* prototypes for CVODE fcts., consts.  */