SUBROUTINE BOBYQA (N,NPT,X,XL,XU,RHOBEG,RHOEND,IPRINT, 1 MAXFUN,W) IMPLICIT REAL*8 (A-H,O-Z) DIMENSION X(*),XL(*),XU(*),W(*) C C This subroutine seeks the least value of a function of many variables, C by applying a trust region method that forms quadratic models by C interpolation. There is usually some freedom in the interpolation C conditions, which is taken up by minimizing the Frobenius norm of C the change to the second derivative of the model, beginning with the C zero matrix. The values of the variables are constrained by upper and C lower bounds. The arguments of the subroutine are as follows. C C N must be set to the number of variables and must be at least two. C NPT is the number of interpolation conditions. Its value must be in C the interval [N+2,(N+1)(N+2)/2]. Choices that exceed 2*N+1 are not C recommended. C Initial values of the variables must be set in X(1),X(2),...,X(N). They C will be changed to the values that give the least calculated F. C For I=1,2,...,N, XL(I) and XU(I) must provide the lower and upper C bounds, respectively, on X(I). The construction of quadratic models C requires XL(I) to be strictly less than XU(I) for each I. Further, C the contribution to a model from changes to the I-th variable is C damaged severely by rounding errors if XU(I)-XL(I) is too small. C RHOBEG and RHOEND must be set to the initial and final values of a trust C region radius, so both must be positive with RHOEND no greater than C RHOBEG. Typically, RHOBEG should be about one tenth of the greatest C expected change to a variable, while RHOEND should indicate the C accuracy that is required in the final values of the variables. An C error return occurs if any of the differences XU(I)-XL(I), I=1,...,N, C is less than 2*RHOBEG. C The value of IPRINT should be set to 0, 1, 2 or 3, which controls the C amount of printing. Specifically, there is no output if IPRINT=0 and C there is output only at the return if IPRINT=1. Otherwise, each new C value of RHO is printed, with the best vector of variables so far and C the corresponding value of the objective function. Further, each new C value of F with its variables are output if IPRINT=3. C MAXFUN must be set to an upper bound on the number of calls of CALFUN. C The array W will be used for working space. Its length must be at least C (NPT+5)*(NPT+N)+3*N*(N+5)/2. C C SUBROUTINE CALFUN (N,X,F) has to be provided by the user. It must set C F to the value of the objective function for the current values of the C variables X(1),X(2),...,X(N), which are generated automatically in a C way that satisfies the bounds given in XL and XU. C C Return if the value of NPT is unacceptable. C NP=N+1 IF (NPT .LT. N+2 .OR. NPT .GT. ((N+2)*NP)/2) THEN PRINT 10 10 FORMAT (/4X,'Return from BOBYQA because NPT is not in', 1 ' the required interval') GO TO 40 END IF C C Partition the working space array, so that different parts of it can C be treated separately during the calculation of BOBYQB. The partition C requires the first (NPT+2)*(NPT+N)+3*N*(N+5)/2 elements of W plus the C space that is taken by the last array in the argument list of BOBYQB. C NDIM=NPT+N IXB=1 IXP=IXB+N IFV=IXP+N*NPT IXO=IFV+NPT IGO=IXO+N IHQ=IGO+N IPQ=IHQ+(N*NP)/2 IBMAT=IPQ+NPT IZMAT=IBMAT+NDIM*N ISL=IZMAT+NPT*(NPT-NP) ISU=ISL+N IXN=ISU+N IXA=IXN+N ID=IXA+N IVL=ID+N IW=IVL+NDIM C C Return if there is insufficient space between the bounds. Modify the C initial X if necessary in order to avoid conflicts between the bounds C and the construction of the first quadratic model. The lower and upper C bounds on moves from the updated X are set now, in the ISL and ISU C partitions of W, in order to provide useful and exact information about C components of X that become within distance RHOBEG from their bounds. C ZERO=0.0D0 DO 30 J=1,N TEMP=XU(J)-XL(J) IF (TEMP .LT. RHOBEG+RHOBEG) THEN PRINT 20 20 FORMAT (/4X,'Return from BOBYQA because one of the', 1 ' differences XU(I)-XL(I)'/6X,' is less than 2*RHOBEG.') GO TO 40 END IF JSL=ISL+J-1 JSU=JSL+N W(JSL)=XL(J)-X(J) W(JSU)=XU(J)-X(J) IF (W(JSL) .GE. -RHOBEG) THEN IF (W(JSL) .GE. ZERO) THEN X(J)=XL(J) W(JSL)=ZERO W(JSU)=TEMP ELSE X(J)=XL(J)+RHOBEG W(JSL)=-RHOBEG W(JSU)=DMAX1(XU(J)-X(J),RHOBEG) END IF ELSE IF (W(JSU) .LE. RHOBEG) THEN IF (W(JSU) .LE. ZERO) THEN X(J)=XU(J) W(JSL)=-TEMP W(JSU)=ZERO ELSE X(J)=XU(J)-RHOBEG W(JSL)=DMIN1(XL(J)-X(J),-RHOBEG) W(JSU)=RHOBEG END IF END IF 30 CONTINUE C C Make the call of BOBYQB. C CALL BOBYQB (N,NPT,X,XL,XU,RHOBEG,RHOEND,IPRINT,MAXFUN,W(IXB), 1 W(IXP),W(IFV),W(IXO),W(IGO),W(IHQ),W(IPQ),W(IBMAT),W(IZMAT), 2 NDIM,W(ISL),W(ISU),W(IXN),W(IXA),W(ID),W(IVL),W(IW)) 40 RETURN END