240402.212442.HKT revoke the modification to close_itpset in newuob…

….f90 in 6db5dcf, as the performance against the classical version is not ideal, even though it outperforms the last version according to performance profiles

fortran/newuoa/newuob.f90

@@ -8,7 +8,7 @@ module newuob_mod
 !
 ! Started: July 2020
 !
-! Last Modified: Sunday, March 31, 2024 PM08:16:14
+! Last Modified: Tuesday, April 02, 2024 PM09:06:39
 !--------------------------------------------------------------------------------------------------!
 
 implicit none
@@ -274,18 +274,6 @@ subroutine newuob(calfun, iprint, maxfun, npt, eta1, eta2, ftarget, gamma1, gamm
 ! REDUCE_RHO: Should we reduce rho (Boxes 14 and 10 of Fig. 1 in the NEWUOA paper)?
 ! NEWUOA never sets IMPROVE_GEO and REDUCE_RHO to TRUE simultaneously.
 do tr = 1, maxtr
-    ! CLOSE_ITPSET: Are the interpolation points close to XOPT? It affects IMPROVE_GEO, REDUCE_RHO.
-    ! N.B. (Zaikun 20240331): In Powell's algorithms, CLOSE_ITPSET is defined after XPT is updated
-    ! according to the trust-region trial step.
-    distsq = sum((xpt - spread(xpt(:, kopt), dim=2, ncopies=npt))**2, dim=1)
-    !!MATLAB: distsq = sum((xpt - xpt(:, kopt)).^2)  % Implicit expansion
-    close_itpset = all(distsq <= 4.0_RP * delta**2)  ! Powell's code.
-    ! Below are some alternative definitions of CLOSE_ITPSET.
-    ! N.B.: The threshold for CLOSE_ITPSET is at least DELBAR, the trust region radius for GEOSTEP.
-    ! !close_itpset = all(distsq <= 4.0_RP * rho**2)  ! Powell's UOBYQA code.
-    ! !close_itpset = all(distsq <= max((TWO * delta)**2, (TEN * rho)**2))  ! Powell's BOBYQA code.
-    ! !close_itpset = all(distsq <= max(delta**2, 4.0_RP * rho**2))  ! Powell's LINCOA code.
-
     ! Generate the next trust region step D.
     call trsapp(delta, gopt, hq, pq, trtol, xpt, crvmin, d)
     dnorm = min(delta, norm(d))
@@ -403,6 +391,15 @@ subroutine newuob(calfun, iprint, maxfun, npt, eta1, eta2, ftarget, gamma1, gamm
 
     ! ACCURATE_MOD: Are the recent models sufficiently accurate? Used only if SHORTD is TRUE.
     accurate_mod = all(abs(moderr_rec) <= 0.125_RP * crvmin * rho**2) .and. all(dnorm_rec <= rho)
+    ! CLOSE_ITPSET: Are the interpolation points close to XOPT? It affects IMPROVE_GEO, REDUCE_RHO.
+    distsq = sum((xpt - spread(xpt(:, kopt), dim=2, ncopies=npt))**2, dim=1)
+    !!MATLAB: distsq = sum((xpt - xpt(:, kopt)).^2)  % Implicit expansion
+    close_itpset = all(distsq <= 4.0_RP * delta**2)  ! Powell's code.
+    ! Below are some alternative definitions of CLOSE_ITPSET.
+    ! N.B.: The threshold for CLOSE_ITPSET is at least DELBAR, the trust region radius for GEOSTEP.
+    ! !close_itpset = all(distsq <= 4.0_RP * rho**2)  ! Powell's UOBYQA code.
+    ! !close_itpset = all(distsq <= max((TWO * delta)**2, (TEN * rho)**2))  ! Powell's BOBYQA code.
+    ! !close_itpset = all(distsq <= max(delta**2, 4.0_RP * rho**2))  ! Powell's LINCOA code.
     ! ADEQUATE_GEO: Is the geometry of the interpolation set "adequate"?
     adequate_geo = (shortd .and. accurate_mod) .or. close_itpset
     ! SMALL_TRRAD: Is the trust-region radius small? This indicator seems not impactive in practice.
@@ -522,8 +519,6 @@ subroutine newuob(calfun, iprint, maxfun, npt, eta1, eta2, ftarget, gamma1, gamm
     ! Improve the geometry of the interpolation set by removing a point and adding a new one.
     if (improve_geo) then
         ! XPT(:, KNEW_GEO) will become XOPT + D below. KNEW_GEO /= KOPT unless there is a bug.
-        distsq = sum((xpt - spread(xpt(:, kopt), dim=2, ncopies=npt))**2, dim=1)
-        !!MATLAB: distsq = sum((xpt - xpt(:, kopt)).^2)  % Implicit expansion
         knew_geo = int(maxloc(distsq, dim=1), kind(knew_geo))
 
         ! Set DELBAR, which will be used as the trust-region radius for the geometry-improving