modified makefile to seperate into bin and lib dirs also now added neigenvalues option

Makefile

@@ -1,23 +1,37 @@
 include ${SLEPC_DIR}/lib/slepc/conf/slepc_common
-CC=gcc
+#CC=gcc
+#FC = ifort
 MAKE = /usr/bin/make
-MKDIR_P = mkdir -p
-OBJ_DIR = obj
+MKDIR_P = /bin/mkdir -p
+OBJ_DIR := obj
+LIB_DIR := libs
+BIN_DIR := bin
+SRC_DIR := src
 
-irpf90.a:
-	cd src && irpf90 init && $(MAKE) && cp irpf90.a ../
+.PHONY: ex1
+
+ex1: ${BIN_DIR}/ex1
 
 ${OBJ_DIR}:
 	${MKDIR_P} ${OBJ_DIR}
 
-directories: ${OBJ_DIR}
+${LIB_DIR}:
+	${MKDIR_P} ${LIB_DIR}
 
-obj/read2.o: src/read2.c directories
-	${CC} -c -o $@ $<
+${BIN_DIR}:
+	${MKDIR_P} ${BIN_DIR}
 
-obj/ex1.o: src/ex1.c
-	-${CC} -c -o $@ $< ${SLEPC_EPS_LIB}
+directories: ${OBJ_DIR} ${LIB_DIR} ${BIN_DIR}
 
-ex1: obj/read2.o irpf90.a obj/ex1.o src/read2.h src/stimsyr.h chkopts
-	    -${CLINKER} -o ex1 obj/ex1.o obj/read2.o irpf90.a ${SLEPC_EPS_LIB}# -lifcore -lirc -lcomposerxe_gen_helpers_core_2.3
+${LIB_DIR}/irpf90.a: directories
+	cd ${SRC_DIR} && irpf90 init && $(MAKE) irpf90.a && cp irpf90.a ../${LIB_DIR}
+
+${OBJ_DIR}/read2.o: ${SRC_DIR}/read2.c directories chkopts
+	${CC} ${SLEPC_INCLUDE} ${PETSC_CC_INCLUDES} -c -o  $@ $< ${SLEPC_EPS_LIB} 
+
+${OBJ_DIR}/ex1.o: ${SRC_DIR}/ex1.c
+	-${CC} ${SLEPC_INCLUDE} ${PETSC_CC_INCLUDES} -c -o $@ $< ${SLEPC_EPS_LIB}
+
+${BIN_DIR}/ex1: ${OBJ_DIR}/read2.o ${LIB_DIR}/irpf90.a ${OBJ_DIR}/ex1.o ${SRC_DIR}/read2.h ${SRC_DIR}/stimsyr.h chkopts
+	    -${CLINKER} ${SLEPC_INCLUDE} ${PETSC_CC_INCLUDES} -o ${BIN_DIR}/ex1 ${OBJ_DIR}/ex1.o ${OBJ_DIR}/read2.o ${LIB_DIR}/irpf90.a ${SLEPC_EPS_LIB}# -lifcore -lirc -lcomposerxe_gen_helpers_core_2.3
 #    ${RM} ex1.o read2.o

src/ex1.c

@@ -124,12 +124,13 @@ int main(int argc,char **argv)
   ierr = EPSSetWhichEigenpairs(eps,EPS_SMALLEST_REAL);CHKERRQ(ierr);
 
   ierr = EPSSetFromOptions(eps);CHKERRQ(ierr);
-  tol = 1.e-8;
+  tol = 1.e-9;
   maxit = 10000000;
   ierr = EPSSetTolerances(eps,tol,maxit);CHKERRQ(ierr);
   nev  = 4;
   ncv  = 10;
   mpd  = 10;
+  nev  = getdata.nroots;
   ierr = EPSSetDimensions(eps,nev,PETSC_DECIDE,PETSC_DECIDE);CHKERRQ(ierr);
 
   ierr = PetscTime(&t1);CHKERRQ(ierr);
@@ -156,7 +157,7 @@ int main(int argc,char **argv)
          "           k          ||Ax-kx||/||kx||\n"
          "   ----------------- ------------------\n");CHKERRQ(ierr);
 
-    for (i=0;i<nconv;i++) {
+    for (i=0;i<nev;i++) {
       /*
         Get converged eigenpairs: i-th eigenvalue is stored in kr (real part) and
         ki (imaginary part)

src/read2.c

@@ -17,7 +17,7 @@ void Data_new(FILE* file, Data* dat) {
 	
 	    /* note that fgets don't strip the terminating \n, checking its
 	       presence would allow to handle lines longer that sizeof(line) */
-	  if (count != 11){
+	  if (count != 12){
 			count++;
 			switch(count){
 				case 1:
@@ -179,6 +179,9 @@ void Data_new(FILE* file, Data* dat) {
 					  }
 					}
 					break;
+                                case 12:
+					dat->nroots=atol(line);
+					break;
 		} /* end of switch */
 
 	  } /* end of the input file */

src/read2.h

@@ -14,6 +14,7 @@ typedef struct {
 	double	xjjz[700];
 	double	xjjxy[700]; 
 	double	xtt[700]; 
+	long int nroots;
 
 } Data ;