Check whether finite precision arithmetic could be the cause of the disagreement between the derivatives.
Type | Intent | Optional | Attributes | Name | ||
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procedure(fcn_t) | :: | fcn |
The user supplied subroutine for evaluating the model. |
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integer, | intent(in) | :: | n |
The number of observations. |
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integer, | intent(in) | :: | m |
The number of columns of data in the explanatory variable. |
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integer, | intent(in) | :: | np |
The number of function parameters. |
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integer, | intent(in) | :: | nq |
The number of responses per observation. |
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real(kind=wp), | intent(inout) | :: | beta(np) |
The function parameters. |
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real(kind=wp), | intent(inout) | :: | xplusd(n,m) |
The values of |
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integer, | intent(in) | :: | ifixb(np) |
The values designating whether the elements of |
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integer, | intent(in) | :: | ifixx(ldifx,m) |
The values designating whether the elements of |
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integer, | intent(in) | :: | ldifx |
The leading dimension of array |
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real(kind=wp), | intent(in) | :: | eta |
The relative noise in the model. |
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real(kind=wp), | intent(in) | :: | tol |
The agreement tolerance. |
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integer, | intent(in) | :: | nrow |
The row number of the explanatory variable array at which the derivative is to be checked. |
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integer, | intent(in) | :: | j |
The index of the partial derivative being examined. |
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integer, | intent(in) | :: | lq |
The response currently being examined. |
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logical, | intent(in) | :: | iswrtb |
The variable designating whether the derivatives wrt |
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real(kind=wp), | intent(out) | :: | fd |
The forward difference derivative wrt the |
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real(kind=wp), | intent(in) | :: | typj |
The typical size of the |
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real(kind=wp), | intent(out) | :: | pvpstp |
The predicted value for row |
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real(kind=wp), | intent(in) | :: | stp0 |
The step size for the finite difference derivative. |
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real(kind=wp), | intent(inout) | :: | curve |
A measure of the curvature in the model. |
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real(kind=wp), | intent(in) | :: | pv |
The predicted value for row |
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real(kind=wp), | intent(in) | :: | d |
The derivative with respect to the |
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real(kind=wp), | intent(out) | :: | diffj |
The relative differences between the user supplied and finite difference derivatives for the derivative being checked. |
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integer, | intent(out) | :: | msg(nq,j) |
The error checking results. |
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integer, | intent(out) | :: | istop |
The variable designating whether there are problems computing the function at the
current |
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integer, | intent(inout) | :: | nfev |
The number of function evaluations. |
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real(kind=wp), | intent(out) | :: | wrk1(n,m,nq) |
A work array of |
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real(kind=wp), | intent(out) | :: | wrk2(n,nq) |
A work array of |
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real(kind=wp), | intent(out) | :: | wrk6(n,np,nq) |
A work array of |
Type | Visibility | Attributes | Name | Initial | |||
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real(kind=wp), | public, | parameter | :: | p1 | = | 0.1_wp | |
real(kind=wp), | public | :: | stp | ||||
logical, | public | :: | large |
subroutine djckf & (fcn, & n, m, np, nq, & beta, xplusd, ifixb, ifixx, ldifx, & eta, tol, nrow, j, lq, iswrtb, & fd, typj, pvpstp, stp0, curve, pv, d, & diffj, msg, istop, nfev, & wrk1, wrk2, wrk6) !! Check whether finite precision arithmetic could be the cause of the disagreement between !! the derivatives. ! Adapted from STARPAC subroutine DCKFPA. ! Routines Called DPVB, DPVD ! Date Written 860529 (YYMMDD) ! Revision Date 920619 (YYMMDD) use odrpack_kinds, only: one, two, hundred procedure(fcn_t) :: fcn !! The user supplied subroutine for evaluating the model. integer, intent(in) :: n !! The number of observations. integer, intent(in) :: m !! The number of columns of data in the explanatory variable. integer, intent(in) :: np !! The number of function parameters. integer, intent(in) :: nq !! The number of responses per observation. real(wp), intent(inout) :: beta(np) !! The function parameters. real(wp), intent(inout) :: xplusd(n, m) !! The values of `x + delta`. integer, intent(in) :: ifixb(np) !! The values designating whether the elements of `beta` are fixed at their input values or not. integer, intent(in) :: ifixx(ldifx, m) !! The values designating whether the elements of `x` are fixed at their input values or not. integer, intent(in) :: ldifx !! The leading dimension of array `ifixx`. real(wp), intent(in) :: eta !! The relative noise in the model. real(wp), intent(in) :: tol !! The agreement tolerance. integer, intent(in) :: nrow !! The row number of the explanatory variable array at which the derivative is to be checked. integer, intent(in) :: j !! The index of the partial derivative being examined. integer, intent(in) :: lq !! The response currently being examined. logical, intent(in) :: iswrtb !! The variable designating whether the derivatives wrt `beta` (`iswrtb = .true.`) !! or `delta` (`iswrtb = .false.`) are being checked. real(wp), intent(out) :: fd !! The forward difference derivative wrt the `j`-th parameter. real(wp), intent(in) :: typj !! The typical size of the `j`-th unknown `beta` or `delta`. real(wp), intent(out) :: pvpstp !! The predicted value for row `nrow` of the model based on the current parameter !! estimates for all but the `j`-th parameter value, which is `beta(j) + stp0`. real(wp), intent(in) :: stp0 !! The step size for the finite difference derivative. real(wp), intent(inout) :: curve !! A measure of the curvature in the model. real(wp), intent(in) :: pv !! The predicted value for row `nrow`. real(wp), intent(in) :: d !! The derivative with respect to the `j`-th unknown parameter. real(wp), intent(out) :: diffj !! The relative differences between the user supplied and finite difference derivatives !! for the derivative being checked. integer, intent(out) :: msg(nq, j) !! The error checking results. integer, intent(out) :: istop !! The variable designating whether there are problems computing the function at the !! current `beta` and `delta`. integer, intent(inout) :: nfev !! The number of function evaluations. real(wp), intent(out) :: wrk1(n, m, nq) !! A work array of `(n, m, nq)` elements. real(wp), intent(out) :: wrk2(n, nq) !! A work array of `(n, nq)` elements. real(wp), intent(out) :: wrk6(n, np, nq) !! A work array of `(n, np, nq)` elements. ! Local scalars real(wp), parameter :: p1 = 0.1_wp real(wp) :: stp logical :: large ! Variable Definitions (alphabetically) ! BETA: The function parameters. ! CURVE: A measure of the curvature in the model. ! D: The derivative with respect to the Jth unknown parameter. ! DIFFJ: The relative differences between the user supplied and finite difference ! derivatives for the derivative being checked. ! ETA: The relative noise in the model. ! FCN: The user supplied subroutine for evaluating the model. ! FD: The forward difference derivative wrt the Jth parameter. ! IFIXB: The values designating whether the elements of BETA are fixed at their input ! values or not. ! IFIXX: The values designating whether the elements of X are fixed at their input values ! or not. ! ISTOP: The variable designating whether there are problems computing the function at ! the current BETA and DELTA. ! ISWRTB: The variable designating whether the derivatives wrt BETA (ISWRTB=TRUE) or ! DELTA(ISWRTB=FALSE) are being checked. ! J: The index of the partial derivative being examined. ! LARGE: The value designating whether the recommended increase in the step size would ! be greater than TYPJ. ! LDIFX: The leading dimension of array IFIXX. ! LQ: The response currently being examined. ! M: The number of columns of data in the explanatory variable. ! MSG: The error checking results. ! N: The number of observations. ! NFEV: The number of function evaluations. ! NP: The number of function parameters. ! NQ: The number of responses per observation. ! NROW: The row number of the explanatory variable array at which the derivative is to ! be checked. ! PV: The predicted value for row NROW. ! PVPSTP: The predicted value for row NROW of the model based on the current parameter ! estimates for all but the Jth parameter value, which is BETA(J) + STP0. ! P1: The value 0.1E0_wp. ! STP0: The step size for the finite difference derivative. ! TOL: The agreement tolerance. ! TYPJ: The typical size of the J-th unknown BETA or DELTA. ! WRK1: A work array of (N BY M BY NQ) elements. ! WRK2: A work array of (N BY NQ) elements. ! WRK6: A work array of (N BY NP BY NQ) elements. ! XPLUSD: The values of X + DELTA. ! Finite precision arithmetic could be the problem. ! Try a larger step size based on estimate of condition error. stp = eta*(abs(pv) + abs(pvpstp))/(tol*abs(d)) if (stp > abs(p1*stp0)) then stp = max(stp, hundred*abs(stp0)) end if if (stp > typj) then stp = typj large = .true. else large = .false. end if if (iswrtb) then ! Perform computations for derivatives wrt BETA stp = (stp*sign(one, beta(j)) + beta(j)) - beta(j) call dpvb(fcn, & n, m, np, nq, & beta, xplusd, ifixb, ifixx, ldifx, & nrow, j, lq, stp, & istop, nfev, pvpstp, & wrk1, wrk2, wrk6) else ! Perform computations for derivatives wrt DELTA stp = (stp*sign(one, xplusd(nrow, j)) + xplusd(nrow, j)) - xplusd(nrow, j) call dpvd(fcn, & n, m, np, nq, & beta, xplusd, ifixb, ifixx, ldifx, & nrow, j, lq, stp, & istop, nfev, pvpstp, & wrk1, wrk2, wrk6) end if if (istop /= 0) then return end if fd = (pvpstp - pv)/stp diffj = min(diffj, abs(fd - d)/abs(d)) ! Check for agreement if ((abs(fd - d)) <= tol*abs(d)) then ! Forward difference quotient and analytic derivatives agree. msg(lq, j) = 0 elseif ((abs(fd - d) <= abs(two*curve*stp)) .or. large) then ! Curvature may be the culprit (fudge factor = 2) if (large) then msg(lq, j) = 4 else msg(lq, j) = 5 end if end if end subroutine djckf