From 689370a3c95f248b4bfa8553b6ebca9fb401476d Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Fri, 29 Nov 2024 20:47:52 +0100 Subject: [PATCH 01/28] grid based virtual casing implemented --- src/bnorml.f90 | 74 +++--- src/casing.f90 | 568 +++++++++++++++++++++++++--------------------- src/global.f90 | 14 +- src/inputlist.f90 | 8 +- src/preset.f90 | 15 +- 5 files changed, 380 insertions(+), 299 deletions(-) diff --git a/src/bnorml.f90 b/src/bnorml.f90 index 4a47e8fb..06f4a67d 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -89,6 +89,8 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) use cputiming, only : Tbnorml + use inputlist, only : vcNz, vcNt + use allglobal, only : ncpu, myid, cpus, MPI_COMM_SPEC, pi2nfp, Mvol, & Nt, Nz, & Rij, Zij, guvij, sg, TT, & @@ -96,7 +98,8 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) im, in, Ate, Aze, Ato, Azo, & Nt, Nz, cfmn, sfmn, & ijreal, ijimag, jireal, jiimag, & - globaljk, tetazeta, virtualcasingfactor, gteta, gzeta, Dxyz, Nxyz + globaljk, virtualcasingfactor, gteta, gzeta, Dxyz, Nxyz, & + Jxyz, Pbxyz, vcNtz !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! @@ -106,9 +109,8 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) REAL , intent(out) :: efmn(1:mn), ofmn(1:mn) INTEGER :: lvol, Lcurvature, Lparallel, ii, jj, kk, jk, ll, kkmodnp, jkmodnp, ifail, id01daf, nvccalls, icasing, ideriv - REAL :: lss, zeta, teta, cszeta(0:1), tetalow, tetaupp, absacc, gBn - REAL :: Jxyz(1:Ntz,1:3), Bxyz(1:Ntz,1:3), dAt(1:Ntz), dAz(1:Ntz), distance(1:Ntz) - + REAL :: lss, zeta, teta, tetalow, tetaupp, absacc, gBn, gBn2 + REAL :: Bxyz(1:Ntz,1:3), dAt(1:Ntz), dAz(1:Ntz), distance(1:Ntz) !REAL :: vcintegrand, zetalow, zetaupp ! external :: vcintegrand, zetalow, zetaupp @@ -137,13 +139,33 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) #endif !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! +#define COMPARECASING +#ifdef COMPARECASING +! Precompute Jxyz(1:Ntz,1:3) and the corresponding positions on the high resolution plasma boundary + +! OMP PARALLEL DO SHARED(Pbxyz, Jxyz) PRIVATE(jk, teta, zeta) +do kk = 0, vcNz-1 ; + zeta = kk * pi2nfp / vcNz + do jj = 0, vcNt-1 ; + teta = jj * pi2 / vcNt ; + jk = 1 + jj + kk*vcNt + + call dvcfieldimpl( teta, zeta, Pbxyz(jk,1:3), Jxyz(jk,1:3) ) + + enddo +enddo + +! OMP PARALLEL DO SHARED(Dxyz, Pbxyz, Jxyz, ijimag) PRIVATE(jk) +do jk = 1, vcNtz + WCALL( bnorml, casing2, ( Dxyz(:,jk), Nxyz(:,jk), Pbxyz, Jxyz, ijimag(jk) ) ) +enddo +#endif - do kk = 0, Nz-1 ; zeta = kk * pi2nfp / Nz - - if( Igeometry.eq.3 ) then ; cszeta(0:1) = (/ cos(zeta), sin(zeta) /) - endif + do kk = 0, Nz-1 ; + zeta = kk * pi2 / Nz - do jj = 0, Nt-1 ; teta = jj * pi2 / Nt ; jk = 1 + jj + kk*Nt + do jj = 0, Nt-1 ; + teta = jj * pi2 / Nt ; jk = 1 + jj + kk*Nt globaljk = jk ! this is global; passed through to vcintegrand & casing; @@ -156,35 +178,25 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) FATAL( bnorml, .true., invalid Lparallel in parallelization loop ) end select ! end of select case( Lparallel ) ; 09 Mar 17; - tetazeta(1:2) = (/ teta, zeta /) ! this is global; passed through to zetalow & zetaupp; 14 Apr 17; - -!#ifdef COMPARECASING -! -! tetalow = tetazeta(1) - vcasingper * pi ; tetaupp = tetazeta(1) + vcasingper * pi ; absacc = vcasingtol -! -! id01daf = 1 ; call D01DAF( tetalow, tetaupp, zetalow, zetaupp, vcintegrand, absacc, gBn, nvccalls, id01daf ) ! 04 May 17; -! -! ijimag(jk) = gBn -! -!#endif - - WCALL( bnorml, casing, ( teta, zeta, gBn, icasing ) ) ! tetazeta is global; 26 Apr 17; - + WCALL( bnorml, casing, ( teta, zeta, gBn, icasing ) ) ijreal(jk) = gBn -!#ifdef COMPARECASING -! write(ounit,1000) myid, zeta, teta, ijreal(jk), ijimag(jk), ijreal(jk)-ijimag(jk) -!#endif -! -!#ifdef CASING -! write(ounit,1000) myid, zeta, teta, ijreal(jk), ijimag(jk), ijreal(jk)-ijimag(jk) -!#endif +#ifdef COMPARECASING + WCALL( bnorml, casing2, ( Dxyz(1:3,jk), Nxyz(1:3,jk), Pbxyz, Jxyz, gBn2 ) ) + ijimag(jk) = gBn2 -1000 format("bnorml : ", 10x ," : myid=",i3," : \z =",f6.3," ; \t =",f6.3," ; B . x_t x x_z =",2f22.15," ; ":"err =",es13.5," ;") + write(ounit,1000) myid, zeta, teta, ijreal(jk), ijimag(jk), ijreal(jk)-ijimag(jk) + 1000 format("bnorml : ", 10x ," : myid=",i3," : \z =",f6.3," ; \t =",f6.3," ; B . x_t x x_z =",2f22.15," ; ":"err =",es13.5," ;") +#endif enddo ! end of do jj; enddo ! end of do kk; +print *, Nt, Nz +print *, ijimag(:) +print *, " " +print *, ijreal(:) +stop !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! 1001 format("bnorml : ", 10x ," : "a1" : (t,z) = ("f8.4","f8.4" ) ; gBn=",f23.15," ; ":" error =",f23.15" ;") diff --git a/src/casing.f90 b/src/casing.f90 index 99e00888..95ae310d 100644 --- a/src/casing.f90 +++ b/src/casing.f90 @@ -106,8 +106,6 @@ subroutine casing( teta, zeta, gBn, icasing ) use constants, only : zero, pi, pi2 - use numerical, only : - use fileunits, only : ounit, vunit use inputlist, only : Wmacros, Wcasing, vcasingtol, vcasingits, vcasingper @@ -120,8 +118,8 @@ subroutine casing( teta, zeta, gBn, icasing ) LOCALS - REAL, intent(in) :: teta, zeta ! arbitrary location; Cartesian; - REAL, intent(out) :: gBn ! magnetic field; Cartesian; + REAL, intent(in) :: teta, zeta ! theta and zeta evaluation point on the computational boundary, corresponding to the cartesian evaluation point Dxyz(1:3,globaljk) + REAL, intent(out) :: gBn ! B.n magnetic field INTEGER, intent(out) :: icasing INTEGER, parameter :: Ndim = 2, Nfun = 1 @@ -135,9 +133,6 @@ subroutine casing( teta, zeta, gBn, icasing ) BEGIN(casing) -!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - - jk = globaljk ! shorthand; globaljk is a "global" variable which must be passed through to subroutine dvcfield; !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! @@ -249,265 +244,345 @@ subroutine casing( teta, zeta, gBn, icasing ) end subroutine casing + + +subroutine casing2( xyz, nxyz, Pbxyz, Jxyz, gBn) + use constants, only : zero, one, three, pi2 + + use fileunits, only : ounit, vunit + + use inputlist, only : vcasingeps, vcNz, vcNt + + use allglobal, only : myid, ncpu, cpus, MPI_COMM_SPEC, & + vcNtz !, Pbxyz(1:vcNtz, 1:3), Jxyz(1:vcNtz, 1:3) + + LOCALS + + REAL, intent(in) :: xyz(1:3) ! arbitrary location; Cartesian; + REAL, intent(in) :: nxyz(1:3) ! surface normal on the computational boundary; Cartesian; + REAL, intent(in) :: Pbxyz(1:vcNtz, 1:3), Jxyz(1:vcNtz, 1:3) + REAL, intent(out) :: gBn ! B.n on the computational boundary; + + REAL :: rr(1:3), distance(1:3), jj(1:3), Bxyz(1:3), accumulator, firstorderfactor + INTEGER :: jk + +!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + accumulator = zero + ! loop over the high resolution plasma boundary (inner boundary for virtual casing) + do jk = 1, vcNtz ; + ! position on computational boundary - position on plasma boundary + rr(1:3) = xyz - Pbxyz(jk, 1:3) + jj(1:3) = Jxyz(jk, 1:3) + + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + + distance(2) = sum( rr(1:3) * rr(1:3) ) + vcasingeps**2 ! 04 May 17; + distance(1) = sqrt( distance(2) ) ; + distance(3) = distance(1) * distance(2) ! powers of distance; 24 Nov 16; + + firstorderfactor = ( one + three * vcasingeps**2 / distance(2) ) / distance(3) ! 04 May 17; + + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + + Bxyz(1:3) = (/ jj(2) * rr(3) - jj(3) * rr(2), & + jj(3) * rr(1) - jj(1) * rr(3), & + jj(1) * rr(2) - jj(2) * rr(1) /) + + ! Accumulate B.r/r^3 contributions + accumulator = accumulator + sum( Bxyz(1:3) * nxyz(1:3) ) * firstorderfactor + enddo + gBn = accumulator * pi2 * pi2 / vcNtz + return + +end subroutine casing2 + + +!> \brief Compute the position and surface current on the plasma boundary for the virtual casing +!> \ingroup grp_free-boundary +!> +!> @param[in] teta \f$\theta\f$ +!> @param[in] zeta \f$\zeta\f$ +!> @param[out] pxyz \f${\bf B}_{Plasma} \cdot {\bf e}_\theta \times {\bf e}_\zeta \;\f$ on the computational boundary +!> @param[out] jj \f${\bf B}_{Plasma} \cdot {\bf e}_\theta \times {\bf e}_\zeta \;\f$ on the computational boundary +subroutine dvcfieldimpl( teta, zeta, pxyz, jj) + + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + + use constants, only : zero, half, one + + use inputlist, only : Nvol, Igeometry, Lrad + + use allglobal, only : myid, ncpu, cpus, MPI_COMM_SPEC, & + Mvol, & + mn, im, in, & + iRbc, iZbs, iRbs, iZbc, & + Ate, Aze, Ato, Azo, & + TT, & + YESstellsym, & + first_free_bound + + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + + LOCALS + + REAL , intent(in) :: teta, zeta ! theta and zeta coordinates on the plasma boundary + REAL , intent(out) :: jj(1:3), & ! Cartesian surface current components on the plasma boundary + pxyz(1:3) ! Position on the plasma boundary + + INTEGER :: ii, mi, ni, ll, ideriv + REAL :: dR(0:3), dZ(0:3), gBut, gBuz, gtt, gtz, gzz, sqrtg, Blt, Blz, czeta, szeta, arg, carg, sarg + + REAL :: XXt, XXz, YYt, YYz, ZZt, ZZz, ds + + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + + dR(0:3) = zero ; ideriv = 0 ; gBut = zero ; gBuz = zero ! initialize summation of coordinates and tangential field; + dZ(0:3) = zero + + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + + select case( Igeometry ) + + case( 1 ) ! Igeometry = 1 ; 09 Mar 17; + + if( YESstellsym ) then + + do ii = 1, mn ; mi = im(ii) ; ni = in(ii) ! loop over Fourier modes; construct surface current; slow transform required as position is arbitrary; + + arg = mi * teta - ni * zeta ; carg = cos(arg) ; sarg = sin(arg) + + dR(0) = dR(0) + ( iRbc(ii,Nvol) ) * carg + dR(1) = dR(1) + ( ( iRbc(ii,Mvol) - iRbc(ii,Nvol) ) * carg ) * half + dR(2) = dR(2) + mi * ( - ( iRbc(ii,Nvol) ) * sarg ) + dR(3) = dR(3) - ni * ( - ( iRbc(ii,Nvol) ) * sarg ) + + !dZ(0) = dZ(0) + ( iZbs(ii,Nvol) ) * sarg + !dZ(1) = dZ(1) + ( ( iZbs(ii,Mvol) - iZbs(ii,Nvol) ) * sarg ) * half + !dZ(2) = dZ(2) + mi * ( ( iZbs(ii,Nvol) ) * carg ) + !dZ(3) = dZ(3) - ni * ( ( iZbs(ii,Nvol) ) * carg ) + + do ll = 0, Lrad(Mvol) + gBut = gBut - ( Aze(Mvol,ideriv,ii)%s(ll) * carg ) * TT(ll,0,1) ! contravariant; Jacobian comes later; + gBuz = gBuz + ( Ate(Mvol,ideriv,ii)%s(ll) * carg ) * TT(ll,0,1) + enddo + + enddo ! end of do ii = 1, mn ; + + else ! NOTstellsym ; 08 Feb 16; + + do ii = 1, mn ; mi = im(ii) ; ni = in(ii) ! loop over Fourier modes; construct surface current; slow transform required as position is arbitrary; + + arg = mi * teta - ni * zeta ; carg = cos(arg) ; sarg = sin(arg) + + dR(0) = dR(0) + iRbc(ii,Nvol) * carg + iRbs(ii,Nvol) * sarg + dR(1) = dR(1) + ( ( iRbc(ii,Mvol) - iRbc(ii,Nvol) ) * carg + ( iRbs(ii,Mvol) - iRbs(ii,Nvol) ) * sarg ) * half + dR(2) = dR(2) + mi * ( - iRbc(ii,Nvol) * sarg + iRbs(ii,Nvol) * carg ) + dR(3) = dR(3) - ni * ( - iRbc(ii,Nvol) * sarg + iRbs(ii,Nvol) * carg ) + + !dZ(0) = dZ(0) + iZbc(ii,Nvol) * carg + iZbs(ii,Nvol) * sarg + !dZ(1) = dZ(1) + ( ( iZbc(ii,Mvol) - iZbc(ii,Nvol) ) * carg + ( iZbs(ii,Mvol) - iZbs(ii,Nvol) ) * sarg ) * half + !dZ(2) = dZ(2) + mi * ( - iZbc(ii,Nvol) * sarg + iZbs(ii,Nvol) * carg ) + !dZ(3) = dZ(3) - ni * ( - iZbc(ii,Nvol) * sarg + iZbs(ii,Nvol) * carg ) + + do ll = 0, Lrad(Mvol) + gBut = gBut - ( Aze(Mvol,ideriv,ii)%s(ll) * carg + Azo(Mvol,ideriv,ii)%s(ll) * sarg ) * TT(ll,0,1) ! contravariant; Jacobian comes later; + gBuz = gBuz + ( Ate(Mvol,ideriv,ii)%s(ll) * carg + Ato(Mvol,ideriv,ii)%s(ll) * sarg ) * TT(ll,0,1) + enddo + + enddo ! end of do ii = 1, mn ; + + endif ! end of if( YESstellsym ) ; 08 Feb 16; + + case( 2 ) ! Igeometry = 2 ; 09 Mar 17; + + FATAL( casing, .true., virtual casing under construction for cylindrical geometry ) + + case( 3 ) ! Igeometry = 3 ; 09 Mar 17; + + if( YESstellsym ) then + + do ii = 1, mn ; mi = im(ii) ; ni = in(ii) ! loop over Fourier modes; construct surface current; slow transform required as position is arbitrary; + + arg = mi * teta - ni * zeta ; carg = cos(arg) ; sarg = sin(arg) + dR(0) = dR(0) + ( iRbc(ii,Nvol) ) * carg + dR(1) = dR(1) + ( ( iRbc(ii,Mvol) - iRbc(ii,Nvol) ) * carg ) * half + dR(2) = dR(2) + mi * ( - ( iRbc(ii,Nvol) ) * sarg ) + dR(3) = dR(3) - ni * ( - ( iRbc(ii,Nvol) ) * sarg ) + + dZ(0) = dZ(0) + ( iZbs(ii,Nvol) ) * sarg + dZ(1) = dZ(1) + ( ( iZbs(ii,Mvol) - iZbs(ii,Nvol) ) * sarg ) * half + dZ(2) = dZ(2) + mi * ( ( iZbs(ii,Nvol) ) * carg ) + dZ(3) = dZ(3) - ni * ( ( iZbs(ii,Nvol) ) * carg ) + + if (first_free_bound) then + do ll = 0, Lrad(Nvol) ! 1 is for outside thr volume + gBut = gBut - ( Aze(Nvol,ideriv,ii)%s(ll) * carg ) * TT(ll,1,1) ! contravariant; Jacobian comes later; + gBuz = gBuz + ( Ate(Nvol,ideriv,ii)%s(ll) * carg ) * TT(ll,1,1) + enddo + else + do ll = 0, Lrad(Mvol) + gBut = gBut - ( Aze(Mvol,ideriv,ii)%s(ll) * carg ) * TT(ll,0,1) ! contravariant; Jacobian comes later; + gBuz = gBuz + ( Ate(Mvol,ideriv,ii)%s(ll) * carg ) * TT(ll,0,1) + enddo + endif + + enddo ! end of do ii = 1, mn ; + + else ! NOTstellsym ; 08 Feb 16; + + do ii = 1, mn ; mi = im(ii) ; ni = in(ii) ! loop over Fourier modes; construct surface current; slow transform required as position is arbitrary; + + arg = mi * teta - ni * zeta ; carg = cos(arg) ; sarg = sin(arg) + + dR(0) = dR(0) + iRbc(ii,Nvol) * carg + iRbs(ii,Nvol) * sarg + dR(1) = dR(1) + ( ( iRbc(ii,Mvol) - iRbc(ii,Nvol) ) * carg + ( iRbs(ii,Mvol) - iRbs(ii,Nvol) ) * sarg ) * half + dR(2) = dR(2) + mi * ( - iRbc(ii,Nvol) * sarg + iRbs(ii,Nvol) * carg ) + dR(3) = dR(3) - ni * ( - iRbc(ii,Nvol) * sarg + iRbs(ii,Nvol) * carg ) + + dZ(0) = dZ(0) + iZbc(ii,Nvol) * carg + iZbs(ii,Nvol) * sarg + dZ(1) = dZ(1) + ( ( iZbc(ii,Mvol) - iZbc(ii,Nvol) ) * carg + ( iZbs(ii,Mvol) - iZbs(ii,Nvol) ) * sarg ) * half + dZ(2) = dZ(2) + mi * ( - iZbc(ii,Nvol) * sarg + iZbs(ii,Nvol) * carg ) + dZ(3) = dZ(3) - ni * ( - iZbc(ii,Nvol) * sarg + iZbs(ii,Nvol) * carg ) + + if (first_free_bound) then + do ll = 0, Lrad(Mvol) ! omit the possible current sheet due to a jump in tangential field at the plasma boundary; Zhu 20190603; + gBut = gBut - ( Aze(Mvol,ideriv,ii)%s(ll) * carg + Azo(Mvol,ideriv,ii)%s(ll) * sarg ) * TT(ll,1,1) ! contravariant; Jacobian comes later; + gBuz = gBuz + ( Ate(Mvol,ideriv,ii)%s(ll) * carg + Ato(Mvol,ideriv,ii)%s(ll) * sarg ) * TT(ll,1,1) + enddo + else + do ll = 0, Lrad(Mvol) + gBut = gBut - ( Aze(Mvol,ideriv,ii)%s(ll) * carg + Azo(Mvol,ideriv,ii)%s(ll) * sarg ) * TT(ll,0,1) ! contravariant; Jacobian comes later; + gBuz = gBuz + ( Ate(Mvol,ideriv,ii)%s(ll) * carg + Ato(Mvol,ideriv,ii)%s(ll) * sarg ) * TT(ll,0,1) + enddo + endif + + enddo ! end of do ii = 1, mn ; + + endif ! end of if( YESstellsym ) ; 08 Feb 16; + + end select ! end of select case( Igeometry ) ; 09 Mar 17; + + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + + select case( Igeometry ) + + case( 1 ) ! Igeometry = 1 ; 09 Mar 17; + + gtt = one + dR(2)*dR(2) + gtz = dR(2)*dR(3) + gzz = one + dR(3)*dR(3) + + sqrtg = dR(1) + + case( 2 ) ! Igeometry = 2 ; 09 Mar 17; + + FATAL( casing, .true., virtual casing under construction for cylindrical geometry ) + + case( 3 ) ! Igeometry = 3 ; 09 Mar 17; + + gtt = dR(2)*dR(2) + dZ(2)*dZ(2) + gtz = dR(2)*dR(3) + dZ(2)*dZ(3) + gzz = dR(3)*dR(3) + dZ(3)*dZ(3) + dR(0)*dR(0) + + sqrtg = dR(0) * ( dZ(1) * dR(2) - dR(1) * dZ(2) ) + + end select + + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + + Blt = ( gBut * gtt + gBuz * gtz ) / sqrtg + Blz = ( gBut * gtz + gBuz * gzz ) / sqrtg + + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + + select case( Igeometry ) + + case( 1 ) ! Igeometry = 1 ; 09 Mar 17; + + pxyz(1:3) = (/ teta , zeta, dR(0) /) + XXt = one ; XXz = zero + YYt = zero ; YYz = one + ZZt = dR(2) ; ZZz = dR(3) + + case( 2 ) ! Igeometry = 2 ; 09 Mar 17; + + FATAL( casing, .true., virtual casing under construction for cylindrical geometry ) + + case( 3 ) ! Igeometry = 3 ; toroidal geometry; + + czeta = cos( zeta ) ; szeta = sin( zeta ) + + pxyz(1:3) = (/ dR(0) * czeta, dR(0) * szeta , dZ(0) /) + XXt = dR(2) * czeta ; XXz = dR(3) * czeta - dR(0) * szeta ! 10 Apr 13; + YYt = dR(2) * szeta ; YYz = dR(3) * szeta + dR(0) * czeta + ZZt = dZ(2) ; ZZz = dZ(3) + + end select + + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + + jj(1:3) = (/ Blz * XXt - Blt * XXz, & + Blz * YYt - Blt * YYz, & + Blz * ZZt - Blt * ZZz /) + + return + + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + + end subroutine dvcfieldimpl + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! !> @brief Differential virtual casing integrand !> \ingroup grp_free-boundary !> -!> Differential virtual casing integrand +!> Differential virtual casing integrand with the calling convention required by NAG for the adaptive integration routine. +!> This function wraps dvcfieldimpl and uses a global variable globaljk to determine the position on the computational boundary (not thread safe!). !> !> @param[in] Ndim number of parameters (==2) !> @param[in] tz \f$\theta\f$ and \f$\zeta\f$ !> @param[in] Nfun number of function values (==3) !> @param[out] vcintegrand cartesian components of magnetic field -subroutine dvcfield( Ndim, tz, Nfun, vcintegrand ) ! differential virtual-casing field; format is fixed by NAG requirements; - -!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! +subroutine dvcfield( Ndim, tz, Nfun, vcintegrand ) - use constants, only : zero, half, one, three, four + use constants, only : zero, half, one, three - use numerical, only : small - - use fileunits, only : ounit, vunit - - use inputlist, only : Wcasing, Nvol, Igeometry, Lrad, vcasingeps - - use cputiming, only : + use inputlist, only : vcasingeps use allglobal, only : myid, ncpu, cpus, MPI_COMM_SPEC, & - pi2nfp, & - Mvol, & - mn, im, in, & - iRbc, iZbs, iRbs, iZbc, & - Ate, Aze, Ato, Azo, & - TT, & - YESstellsym, NOTstellsym, & - globaljk, Dxyz, Nxyz, & - first_free_bound - -!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + globaljk, Dxyz, Nxyz, first_free_bound + + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + LOCALS - + INTEGER , intent(in) :: Ndim, Nfun REAL , intent(in) :: tz(1:Ndim) REAL , intent(out) :: vcintegrand(1:Nfun) ! integrand; components of magnetic field due to plasma currents in Cartesian coordinates; - - INTEGER :: ii, mi, ni, ll, ideriv, jk - REAL :: dR(0:3), dZ(0:3), gBut, gBuz, gtt, gtz, gzz, sqrtg, Blt, Blz, czeta, szeta, arg, carg, sarg, XX, YY, ZZ, teta, zeta - REAL :: jj(1:3), rr(1:3), distance(1:3), firstorderfactor - - REAL :: XXt, XXz, YYt, YYz, ZZt, ZZz, ds, Bxyz(1:3) - -!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + + REAL :: jj(1:3), & ! Cartesian surface current components on the plasma boundary + pxyz(1:3), & ! Position on the plasma boundary + rr(1:3), & ! distance vector between evaluation point on the computational boundary and the current surface point + distance(1:3), & ! powers of distance |(x-x')|, |(x-x')|^2, |(x-x')|^3 including a small eps to avoid division by zero + Bxyz(1:3), firstorderfactor #ifdef DEBUG FATAL( casing, Ndim.ne. 2, incorrect ) FATAL( casing, Nfun.ne. 1, incorrect ) #endif - !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - dR(0:3) = zero ; ideriv = 0 ; gBut = zero ; gBuz = zero ! initialize summation of coordinates and tangential field; - dZ(0:3) = zero - - teta = tz(1) ; zeta = tz(2) ! shorthand; 09 Mar 17; + call dvcfieldimpl(tz(1), tz(2), pxyz, jj) - jk = globaljk - -!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - - select case( Igeometry ) - - case( 1 ) ! Igeometry = 1 ; 09 Mar 17; - - if( YESstellsym ) then - - do ii = 1, mn ; mi = im(ii) ; ni = in(ii) ! loop over Fourier modes; construct surface current; slow transform required as position is arbitrary; - - arg = mi * teta - ni * zeta ; carg = cos(arg) ; sarg = sin(arg) - - dR(0) = dR(0) + ( iRbc(ii,Nvol) ) * carg - dR(1) = dR(1) + ( ( iRbc(ii,Mvol) - iRbc(ii,Nvol) ) * carg ) * half - dR(2) = dR(2) + mi * ( - ( iRbc(ii,Nvol) ) * sarg ) - dR(3) = dR(3) - ni * ( - ( iRbc(ii,Nvol) ) * sarg ) - - !dZ(0) = dZ(0) + ( iZbs(ii,Nvol) ) * sarg - !dZ(1) = dZ(1) + ( ( iZbs(ii,Mvol) - iZbs(ii,Nvol) ) * sarg ) * half - !dZ(2) = dZ(2) + mi * ( ( iZbs(ii,Nvol) ) * carg ) - !dZ(3) = dZ(3) - ni * ( ( iZbs(ii,Nvol) ) * carg ) - - do ll = 0, Lrad(Mvol) - gBut = gBut - ( Aze(Mvol,ideriv,ii)%s(ll) * carg ) * TT(ll,0,1) ! contravariant; Jacobian comes later; - gBuz = gBuz + ( Ate(Mvol,ideriv,ii)%s(ll) * carg ) * TT(ll,0,1) - enddo - - enddo ! end of do ii = 1, mn ; - - else ! NOTstellsym ; 08 Feb 16; - - do ii = 1, mn ; mi = im(ii) ; ni = in(ii) ! loop over Fourier modes; construct surface current; slow transform required as position is arbitrary; - - arg = mi * teta - ni * zeta ; carg = cos(arg) ; sarg = sin(arg) - - dR(0) = dR(0) + iRbc(ii,Nvol) * carg + iRbs(ii,Nvol) * sarg - dR(1) = dR(1) + ( ( iRbc(ii,Mvol) - iRbc(ii,Nvol) ) * carg + ( iRbs(ii,Mvol) - iRbs(ii,Nvol) ) * sarg ) * half - dR(2) = dR(2) + mi * ( - iRbc(ii,Nvol) * sarg + iRbs(ii,Nvol) * carg ) - dR(3) = dR(3) - ni * ( - iRbc(ii,Nvol) * sarg + iRbs(ii,Nvol) * carg ) - - !dZ(0) = dZ(0) + iZbc(ii,Nvol) * carg + iZbs(ii,Nvol) * sarg - !dZ(1) = dZ(1) + ( ( iZbc(ii,Mvol) - iZbc(ii,Nvol) ) * carg + ( iZbs(ii,Mvol) - iZbs(ii,Nvol) ) * sarg ) * half - !dZ(2) = dZ(2) + mi * ( - iZbc(ii,Nvol) * sarg + iZbs(ii,Nvol) * carg ) - !dZ(3) = dZ(3) - ni * ( - iZbc(ii,Nvol) * sarg + iZbs(ii,Nvol) * carg ) - - do ll = 0, Lrad(Mvol) - gBut = gBut - ( Aze(Mvol,ideriv,ii)%s(ll) * carg + Azo(Mvol,ideriv,ii)%s(ll) * sarg ) * TT(ll,0,1) ! contravariant; Jacobian comes later; - gBuz = gBuz + ( Ate(Mvol,ideriv,ii)%s(ll) * carg + Ato(Mvol,ideriv,ii)%s(ll) * sarg ) * TT(ll,0,1) - enddo - - enddo ! end of do ii = 1, mn ; - - endif ! end of if( YESstellsym ) ; 08 Feb 16; - - case( 2 ) ! Igeometry = 2 ; 09 Mar 17; - - FATAL( casing, .true., virtual casing under construction for cylindrical geometry ) - - case( 3 ) ! Igeometry = 3 ; 09 Mar 17; - - if( YESstellsym ) then - - do ii = 1, mn ; mi = im(ii) ; ni = in(ii) ! loop over Fourier modes; construct surface current; slow transform required as position is arbitrary; - - arg = mi * teta - ni * zeta ; carg = cos(arg) ; sarg = sin(arg) - dR(0) = dR(0) + ( iRbc(ii,Nvol) ) * carg - dR(1) = dR(1) + ( ( iRbc(ii,Mvol) - iRbc(ii,Nvol) ) * carg ) * half - dR(2) = dR(2) + mi * ( - ( iRbc(ii,Nvol) ) * sarg ) - dR(3) = dR(3) - ni * ( - ( iRbc(ii,Nvol) ) * sarg ) - - dZ(0) = dZ(0) + ( iZbs(ii,Nvol) ) * sarg - dZ(1) = dZ(1) + ( ( iZbs(ii,Mvol) - iZbs(ii,Nvol) ) * sarg ) * half - dZ(2) = dZ(2) + mi * ( ( iZbs(ii,Nvol) ) * carg ) - dZ(3) = dZ(3) - ni * ( ( iZbs(ii,Nvol) ) * carg ) - - if (first_free_bound) then - do ll = 0, Lrad(Nvol) ! 1 is for outside thr volume - gBut = gBut - ( Aze(Nvol,ideriv,ii)%s(ll) * carg ) * TT(ll,1,1) ! contravariant; Jacobian comes later; - gBuz = gBuz + ( Ate(Nvol,ideriv,ii)%s(ll) * carg ) * TT(ll,1,1) - enddo - else - do ll = 0, Lrad(Mvol) - gBut = gBut - ( Aze(Mvol,ideriv,ii)%s(ll) * carg ) * TT(ll,0,1) ! contravariant; Jacobian comes later; - gBuz = gBuz + ( Ate(Mvol,ideriv,ii)%s(ll) * carg ) * TT(ll,0,1) - enddo - endif - - enddo ! end of do ii = 1, mn ; - - else ! NOTstellsym ; 08 Feb 16; - - do ii = 1, mn ; mi = im(ii) ; ni = in(ii) ! loop over Fourier modes; construct surface current; slow transform required as position is arbitrary; - - arg = mi * teta - ni * zeta ; carg = cos(arg) ; sarg = sin(arg) - - dR(0) = dR(0) + iRbc(ii,Nvol) * carg + iRbs(ii,Nvol) * sarg - dR(1) = dR(1) + ( ( iRbc(ii,Mvol) - iRbc(ii,Nvol) ) * carg + ( iRbs(ii,Mvol) - iRbs(ii,Nvol) ) * sarg ) * half - dR(2) = dR(2) + mi * ( - iRbc(ii,Nvol) * sarg + iRbs(ii,Nvol) * carg ) - dR(3) = dR(3) - ni * ( - iRbc(ii,Nvol) * sarg + iRbs(ii,Nvol) * carg ) - - dZ(0) = dZ(0) + iZbc(ii,Nvol) * carg + iZbs(ii,Nvol) * sarg - dZ(1) = dZ(1) + ( ( iZbc(ii,Mvol) - iZbc(ii,Nvol) ) * carg + ( iZbs(ii,Mvol) - iZbs(ii,Nvol) ) * sarg ) * half - dZ(2) = dZ(2) + mi * ( - iZbc(ii,Nvol) * sarg + iZbs(ii,Nvol) * carg ) - dZ(3) = dZ(3) - ni * ( - iZbc(ii,Nvol) * sarg + iZbs(ii,Nvol) * carg ) - - if (first_free_bound) then - do ll = 0, Lrad(Mvol) ! omit the possible current sheet due to a jump in tangential field at the plasma boundary; Zhu 20190603; - gBut = gBut - ( Aze(Mvol,ideriv,ii)%s(ll) * carg + Azo(Mvol,ideriv,ii)%s(ll) * sarg ) * TT(ll,1,1) ! contravariant; Jacobian comes later; - gBuz = gBuz + ( Ate(Mvol,ideriv,ii)%s(ll) * carg + Ato(Mvol,ideriv,ii)%s(ll) * sarg ) * TT(ll,1,1) - enddo - else - do ll = 0, Lrad(Mvol) - gBut = gBut - ( Aze(Mvol,ideriv,ii)%s(ll) * carg + Azo(Mvol,ideriv,ii)%s(ll) * sarg ) * TT(ll,0,1) ! contravariant; Jacobian comes later; - gBuz = gBuz + ( Ate(Mvol,ideriv,ii)%s(ll) * carg + Ato(Mvol,ideriv,ii)%s(ll) * sarg ) * TT(ll,0,1) - enddo - endif - - enddo ! end of do ii = 1, mn ; - - endif ! end of if( YESstellsym ) ; 08 Feb 16; - - end select ! end of select case( Igeometry ) ; 09 Mar 17; - -!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - - select case( Igeometry ) - - case( 1 ) ! Igeometry = 1 ; 09 Mar 17; - - gtt = one + dR(2)*dR(2) - gtz = dR(2)*dR(3) - gzz = one + dR(3)*dR(3) - - sqrtg = dR(1) - - case( 2 ) ! Igeometry = 2 ; 09 Mar 17; - - FATAL( casing, .true., virtual casing under construction for cylindrical geometry ) - - case( 3 ) ! Igeometry = 3 ; 09 Mar 17; - - gtt = dR(2)*dR(2) + dZ(2)*dZ(2) - gtz = dR(2)*dR(3) + dZ(2)*dZ(3) - gzz = dR(3)*dR(3) + dZ(3)*dZ(3) + dR(0)*dR(0) - - sqrtg = dR(0) * ( dZ(1) * dR(2) - dR(1) * dZ(2) ) - - end select - -!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - - Blt = ( gBut * gtt + gBuz * gtz ) / sqrtg - Blz = ( gBut * gtz + gBuz * gzz ) / sqrtg - -!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - - select case( Igeometry ) - - case( 1 ) ! Igeometry = 1 ; 09 Mar 17; - - XX = teta ; XXt = one ; XXz = zero - YY = zeta ; YYt = zero ; YYz = one - ZZ = dR(0) ; ZZt = dR(2) ; ZZz = dR(3) - - case( 2 ) ! Igeometry = 2 ; 09 Mar 17; - - FATAL( casing, .true., virtual casing under construction for cylindrical geometry ) - - case( 3 ) ! Igeometry = 3 ; toroidal geometry; - - czeta = cos( zeta ) ; szeta = sin( zeta ) - - XX = dR(0) * czeta ; XXt = dR(2) * czeta ; XXz = dR(3) * czeta - dR(0) * szeta ! 10 Apr 13; - YY = dR(0) * szeta ; YYt = dR(2) * szeta ; YYz = dR(3) * szeta + dR(0) * czeta - ZZ = dZ(0) ; ZZt = dZ(2) ; ZZz = dZ(3) - - end select - -!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - - rr(1:3) = (/ Dxyz(1,jk) - XX, & - Dxyz(2,jk) - YY, & - Dxyz(3,jk) - ZZ /) - - jj(1:3) = (/ Blz * XXt - Blt * XXz, & - Blz * YYt - Blt * YYz, & - Blz * ZZt - Blt * ZZz /) + ! position on computational boundary - position on plasma boundary + rr(1:3) = Dxyz(1:3,globaljk) - pxyz(1:3) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! distance(2) = sum( rr(1:3) * rr(1:3) ) + vcasingeps**2 ! 04 May 17; - - distance(1) = sqrt( distance(2) ) ; distance(3) = distance(1) * distance(2) ! powers of distance; 24 Nov 16; + distance(1) = sqrt( distance(2) ) ; + distance(3) = distance(1) * distance(2) ! powers of distance; 24 Nov 16; firstorderfactor = ( one + three * vcasingeps**2 / distance(2) ) / distance(3) ! 04 May 17; @@ -517,28 +592,7 @@ subroutine dvcfield( Ndim, tz, Nfun, vcintegrand ) ! differential virtual-casing jj(3) * rr(1) - jj(1) * rr(3), & jj(1) * rr(2) - jj(2) * rr(1) /) - vcintegrand(1) = sum( Bxyz(1:3) * Nxyz(1:3,jk) ) * firstorderfactor - -!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - -! vcintegrand( 4) = - three * vcintegrand(1) * rr(1) / distance(2) ! dBxdx; ! need to divide by distance(3) ; 14 Apr 17; -! vcintegrand( 5) = - three * vcintegrand(1) * rr(2) / distance(2) - jj(3) ! dBxdy; -! vcintegrand( 6) = - three * vcintegrand(1) * rr(3) / distance(2) + jj(2) ! dBxdz; -! -! vcintegrand( 7) = - three * vcintegrand(2) * rr(1) / distance(2) + jj(3) ! dBydx; -! vcintegrand( 8) = - three * vcintegrand(2) * rr(2) / distance(2) ! dBydy; -! vcintegrand( 9) = - three * vcintegrand(2) * rr(3) / distance(2) - jj(1) ! dBydz; -! -! vcintegrand(10) = - three * vcintegrand(3) * rr(1) / distance(2) - jj(2) ! dBzdx; -! vcintegrand(11) = - three * vcintegrand(3) * rr(2) / distance(2) + jj(1) ! dBzdy; -! vcintegrand(12) = - three * vcintegrand(3) * rr(3) / distance(2) ! dBzdz; - -!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - + vcintegrand(1) = sum( Bxyz(1:3) * Nxyz(1:3,globaljk) ) * firstorderfactor return -!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - end subroutine dvcfield - -!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! diff --git a/src/global.f90 b/src/global.f90 index b02862b1..9a20a5e4 100644 --- a/src/global.f90 +++ b/src/global.f90 @@ -833,19 +833,19 @@ module allglobal !> \addtogroup grp_misc Miscellaneous !> The following are miscellaneous flags required for the virtual casing field, external (vacuum) field integration, ... !> @{ - INTEGER :: globaljk !< labels position - REAL, allocatable :: Dxyz(:,:) !< computational boundary; position - REAL, allocatable :: Nxyz(:,:) !< computational boundary; normal - REAL, allocatable :: Jxyz(:,:) !< plasma boundary; surface current - - REAL :: tetazeta(1:2) !< what is this? + INTEGER :: globaljk !< labels position + REAL, allocatable :: Dxyz(:,:) !< computational boundary; position + REAL, allocatable :: Nxyz(:,:) !< computational boundary; normal + REAL, allocatable :: Jxyz(:,:) !< plasma boundary; surface current + REAL, allocatable :: Pbxyz(:,:) !< plasma boundary; position REAL :: virtualcasingfactor = -one / (four*pi) !< this agrees with diagno - + INTEGER :: IBerror !< for computing error in magnetic field INTEGER :: nfreeboundaryiterations !< number of free-boundary iterations already performed + INTEGER :: vcNtz !< number of grid points in \f$\theta\f$ and \f$\zeta\f$ for the plasma surface current computation !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! INTEGER, parameter :: Node = 2 !< best to make this global for consistency between calling and called routines diff --git a/src/inputlist.f90 b/src/inputlist.f90 index 30c0b04b..54296e9f 100644 --- a/src/inputlist.f90 +++ b/src/inputlist.f90 @@ -469,8 +469,10 @@ module inputlist REAL :: vcasingtol = 1.e-08 !< accuracy on virtual casing integral; see bnorml(), casing() INTEGER :: vcasingits = 8 !< minimum number of calls to adaptive virtual casing routine; see casing() INTEGER :: vcasingper = 1 !< periods of integragion in adaptive virtual casing routine; see casing() + INTEGER :: vcNt = 4 !< theta resolution of the real space grid on which the surface current is computed during virtual casing + INTEGER :: vcNz = 4 !< zeta resolution of the real space grid on which the surface current is computed during virtual casing INTEGER :: mcasingcal = 8 !< minimum number of calls to adaptive virtual casing routine; see casing(); redundant; -!> @} + !> @} !> \addtogroup grp_global_diagnostics diagnosticslist @@ -711,6 +713,8 @@ module inputlist vcasingtol ,& vcasingits ,& vcasingper ,& + vcNt ,& + vcNz ,& mcasingcal namelist/diagnosticslist/& @@ -925,6 +929,8 @@ subroutine initialize_inputs vcasingtol = 1.e-08 vcasingits = 8 vcasingper = 1 + vcNt = 128 + vcNz = 128 mcasingcal = 8 ! diagnosticslist diff --git a/src/preset.f90 b/src/preset.f90 index db447429..965a0dd2 100644 --- a/src/preset.f90 +++ b/src/preset.f90 @@ -1722,13 +1722,21 @@ subroutine preset SALLOCATE( dlambdaout, (1:lmns,1:Mvol,0:1), zero ) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - if (Lfreebound > 0) then ! Only do for free-boundary; 7 Nov 18; + if ( vcNt.lt.Nt ) then + FATAL( bnorml, .true., The plasma boundary resolution for virtual casing vcNt must be greater than or equal to Nt ) + endif + if ( vcNz.lt.Nz ) then + FATAL( bnorml, .true., The plasma boundary resolution for virtual casing vcNz must be greater than or equal to Nz ) + endif + vcNtz = vcNt*vcNz ! the plasma boundary has to use a higher resolution than the computational boundary + SALLOCATE( Dxyz, (1:3,1:Ntz), zero ) ! Cartesian components of computational boundary; position; 14 Apr 17; SALLOCATE( Nxyz, (1:3,1:Ntz), zero ) ! Cartesian components of computational boundary; normal ; 14 Apr 17; - SALLOCATE( Jxyz, (1:Ntz,1:3), zero ) ! Cartesian components of virtual casing surface current; needs to be recalculated at each iteration; + SALLOCATE( Jxyz, (1:vcNtz,1:3), zero ) ! Cartesian components of virtual casing surface current; needs to be recalculated at each iteration; + SALLOCATE( Pbxyz, (1:vcNtz,1:3), zero ) ! Cartesian points on the plasma boundary; needs to be recalculated at each iteration; lvol = Mvol ; lss = one ; Lcurvature = 1 ; Lcoordinatesingularity = .false. ! will only require normal field on outer interface = computational boundary; @@ -1736,7 +1744,8 @@ subroutine preset do kk = 0, Nz-1 ; zeta = kk * pi2nfp / Nz - if( Igeometry.eq.3 ) then ; cszeta(0:1) = (/ cos(zeta), sin(zeta) /) + if( Igeometry.eq.3 ) then ; + cszeta(0:1) = (/ cos(zeta), sin(zeta) /) endif do jj = 0, Nt-1 ; teta = jj * pi2 / Nt ; jk = 1 + jj + kk*Nt From 833913627e249d0e8042d9f9cd40977e7bc4a53c Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Fri, 29 Nov 2024 21:15:01 +0100 Subject: [PATCH 02/28] documentation --- src/casing.f90 | 76 +++++++++++++++++++++++++++----------------------- 1 file changed, 41 insertions(+), 35 deletions(-) diff --git a/src/casing.f90 b/src/casing.f90 index 95ae310d..f5adf472 100644 --- a/src/casing.f90 +++ b/src/casing.f90 @@ -65,37 +65,6 @@ !> The minimum number of function evaluations is provided by the \c inputvar \c vcasingits. !> !> -!> **Calculation of integrand** -!> -!> -!> !> @param[in] teta \f$\theta\f$ !> @param[in] zeta \f$\zeta\f$ !> @param[out] gBn \f$ \sqrt g {\bf B} \cdot {\bf n}\f$ @@ -245,8 +214,17 @@ subroutine casing( teta, zeta, gBn, icasing ) end subroutine casing - -subroutine casing2( xyz, nxyz, Pbxyz, Jxyz, gBn) +!> \brief Compute the field produced by the plasma currents, at an arbitrary, external location using virtual casing. +!> \ingroup grp_free-boundary +!> +!> casing2() computes the virtual casing field using a fixed resolution grid on the plasma boundary, in contrast to casing() which uses an adaptive integration routine. +!> Because the evaluation positions are known in advance, the most expensive terms of the computation (dvcfield) are precomputed. +!> The integral computed by casing2() is +!> \f{eqnarray}{ \int_0^{2\pi} \int_0^{2\pi} \frac{{\bf j}(\theta, \zeta) \times {\bf D}(\theta, \zeta)}{\|{\bf D}(\theta', \zeta')\|^3}+ \;\; d\theta d\zeta +!> \f} +!> with \f${\bf r}\f$ approximately the distance vector from an evaluation point of the current surface \f${\bf x}(\theta, \zeta)\f$ to the +!> external point \f$(x,y,z)\f$, and the exact formula includes a regularization factor \f$\epsilon\f$ Eqn.\f$(\ref{eq:vcasing_distance})\f$.. +subroutine casing2( xyz, nxyz, gBn) use constants, only : zero, one, three, pi2 use fileunits, only : ounit, vunit @@ -254,13 +232,13 @@ subroutine casing2( xyz, nxyz, Pbxyz, Jxyz, gBn) use inputlist, only : vcasingeps, vcNz, vcNt use allglobal, only : myid, ncpu, cpus, MPI_COMM_SPEC, & - vcNtz !, Pbxyz(1:vcNtz, 1:3), Jxyz(1:vcNtz, 1:3) + vcNtz , Pbxyz, Jxyz LOCALS REAL, intent(in) :: xyz(1:3) ! arbitrary location; Cartesian; REAL, intent(in) :: nxyz(1:3) ! surface normal on the computational boundary; Cartesian; - REAL, intent(in) :: Pbxyz(1:vcNtz, 1:3), Jxyz(1:vcNtz, 1:3) + ! REAL, intent(in) :: Pbxyz(1:vcNtz, 1:3), Jxyz(1:vcNtz, 1:3) REAL, intent(out) :: gBn ! B.n on the computational boundary; REAL :: rr(1:3), distance(1:3), jj(1:3), Bxyz(1:3), accumulator, firstorderfactor @@ -299,6 +277,34 @@ end subroutine casing2 !> \brief Compute the position and surface current on the plasma boundary for the virtual casing !> \ingroup grp_free-boundary +!> **Calculation of integrand** +!> +!> !> !> @param[in] teta \f$\theta\f$ !> @param[in] zeta \f$\zeta\f$ From 5d26ac4850a2c6aabf861db68a1d7254f3423396 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Fri, 29 Nov 2024 23:31:50 +0100 Subject: [PATCH 03/28] accuracy estimates of virtual casing method --- src/bnorml.f90 | 60 ++++++++++++++++++++++++++++++-------------------- src/casing.f90 | 30 ++++++++++++------------- 2 files changed, 51 insertions(+), 39 deletions(-) diff --git a/src/bnorml.f90 b/src/bnorml.f90 index 06f4a67d..cb6513e1 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -109,10 +109,10 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) REAL , intent(out) :: efmn(1:mn), ofmn(1:mn) INTEGER :: lvol, Lcurvature, Lparallel, ii, jj, kk, jk, ll, kkmodnp, jkmodnp, ifail, id01daf, nvccalls, icasing, ideriv - REAL :: lss, zeta, teta, tetalow, tetaupp, absacc, gBn, gBn2 + REAL :: lss, zeta, teta, tetalow, tetaupp, absacc, gBn REAL :: Bxyz(1:Ntz,1:3), dAt(1:Ntz), dAz(1:Ntz), distance(1:Ntz) - !REAL :: vcintegrand, zetalow, zetaupp -! external :: vcintegrand, zetalow, zetaupp + REAL :: accuracyestimate, resulth, resulth2, resulth4, deltah4h2, deltah2h + INTEGER :: vcstep BEGIN(bnorml) @@ -143,22 +143,42 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) #ifdef COMPARECASING ! Precompute Jxyz(1:Ntz,1:3) and the corresponding positions on the high resolution plasma boundary -! OMP PARALLEL DO SHARED(Pbxyz, Jxyz) PRIVATE(jk, teta, zeta) +!$OMP PARALLEL DO SHARED(Pbxyz, Jxyz) PRIVATE(jk, teta, zeta) do kk = 0, vcNz-1 ; - zeta = kk * pi2nfp / vcNz - do jj = 0, vcNt-1 ; - teta = jj * pi2 / vcNt ; - jk = 1 + jj + kk*vcNt - - call dvcfieldimpl( teta, zeta, Pbxyz(jk,1:3), Jxyz(jk,1:3) ) - - enddo + zeta = kk * pi2nfp / vcNz + do jj = 0, vcNt-1 ; + teta = jj * pi2 / vcNt ; + jk = 1 + jj + kk*vcNt + + call dvcfieldimpl( teta, zeta, Pbxyz(jk,1:3), Jxyz(jk,1:3) ) + + enddo enddo -! OMP PARALLEL DO SHARED(Dxyz, Pbxyz, Jxyz, ijimag) PRIVATE(jk) -do jk = 1, vcNtz - WCALL( bnorml, casing2, ( Dxyz(:,jk), Nxyz(:,jk), Pbxyz, Jxyz, ijimag(jk) ) ) +! iterate over resolutions of the virtual casing grid to get an estimate of the accuracy +do vcstep = 4, 0, -1 + !$OMP PARALLEL DO SHARED(Dxyz, Pbxyz, Jxyz, ijimag) PRIVATE(jk, gBn) + do jk = 1, Ntz + call casing2( Dxyz(:,jk), Nxyz(:,jk), Pbxyz(1:vcNtz, 1:3), Jxyz(1:vcNtz, 1:3), 2**vcstep, gBn) + + ijreal(jk) = ijimag(jk) + ijimag(jk) = gBn + + enddo + deltah4h2 = deltah2h + deltah2h = sum(abs(ijimag - ijreal)) ! mean delta between the h and h/2 solutions + + ! Order of the integration method: log(deltah4h2/deltah2h)/log(2.0) = 1 + ! relative error: deltah2h/abs(ijimag(jk)) + ! absolute error: delta2h/Ntz + accuracyestimate = deltah2h / sum(abs(ijimag)) enddo + +if (accuracyestimate.gt.vcasingtol) then + FATAL( bnorml, .true., virtual casing accuracy is too low, increase vcNt and vcNz ) +else + print *, "virtual casing with regular grid produced an accuracy estimate of", accuracyestimate +endif #endif do kk = 0, Nz-1 ; @@ -182,21 +202,13 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) ijreal(jk) = gBn #ifdef COMPARECASING - WCALL( bnorml, casing2, ( Dxyz(1:3,jk), Nxyz(1:3,jk), Pbxyz, Jxyz, gBn2 ) ) - ijimag(jk) = gBn2 - + ! write(ounit,1000) myid, zeta, teta, ijreal(jk), ijimag(jk), ijreal(jk)-ijimag(jk) write(ounit,1000) myid, zeta, teta, ijreal(jk), ijimag(jk), ijreal(jk)-ijimag(jk) 1000 format("bnorml : ", 10x ," : myid=",i3," : \z =",f6.3," ; \t =",f6.3," ; B . x_t x x_z =",2f22.15," ; ":"err =",es13.5," ;") #endif enddo ! end of do jj; enddo ! end of do kk; - -print *, Nt, Nz -print *, ijimag(:) -print *, " " -print *, ijreal(:) -stop !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! 1001 format("bnorml : ", 10x ," : "a1" : (t,z) = ("f8.4","f8.4" ) ; gBn=",f23.15," ; ":" error =",f23.15" ;") diff --git a/src/casing.f90 b/src/casing.f90 index f5adf472..6e679709 100644 --- a/src/casing.f90 +++ b/src/casing.f90 @@ -213,7 +213,6 @@ subroutine casing( teta, zeta, gBn, icasing ) end subroutine casing - !> \brief Compute the field produced by the plasma currents, at an arbitrary, external location using virtual casing. !> \ingroup grp_free-boundary !> @@ -224,37 +223,38 @@ end subroutine casing !> \f} !> with \f${\bf r}\f$ approximately the distance vector from an evaluation point of the current surface \f${\bf x}(\theta, \zeta)\f$ to the !> external point \f$(x,y,z)\f$, and the exact formula includes a regularization factor \f$\epsilon\f$ Eqn.\f$(\ref{eq:vcasing_distance})\f$.. -subroutine casing2( xyz, nxyz, gBn) +subroutine casing2( xyz, nxyz, Pbxyz, Jxyz, vcstep,gBn) use constants, only : zero, one, three, pi2 use fileunits, only : ounit, vunit use inputlist, only : vcasingeps, vcNz, vcNt - use allglobal, only : myid, ncpu, cpus, MPI_COMM_SPEC, & - vcNtz , Pbxyz, Jxyz + use allglobal, only : myid, ncpu, cpus, MPI_COMM_SPEC, vcNtz !, Pbxyz, Jxyz LOCALS - REAL, intent(in) :: xyz(1:3) ! arbitrary location; Cartesian; - REAL, intent(in) :: nxyz(1:3) ! surface normal on the computational boundary; Cartesian; - ! REAL, intent(in) :: Pbxyz(1:vcNtz, 1:3), Jxyz(1:vcNtz, 1:3) + REAL, intent(in) :: xyz(3) ! arbitrary location; Cartesian; + REAL, intent(in) :: nxyz(3) ! surface normal on the computational boundary; Cartesian; + REAL, intent(in) :: Pbxyz(1:vcNtz, 1:3), Jxyz(1:vcNtz, 1:3) + INTEGER, intent(in) :: vcstep REAL, intent(out) :: gBn ! B.n on the computational boundary; REAL :: rr(1:3), distance(1:3), jj(1:3), Bxyz(1:3), accumulator, firstorderfactor - INTEGER :: jk + INTEGER :: plasmaNtz, jk !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - accumulator = zero + ! plasmaNtz = SIZE(Pbxyz, 1) + plasmaNtz = vcNtz ! loop over the high resolution plasma boundary (inner boundary for virtual casing) - do jk = 1, vcNtz ; + do jk = 1, plasmaNtz, vcstep ; ! position on computational boundary - position on plasma boundary - rr(1:3) = xyz - Pbxyz(jk, 1:3) - jj(1:3) = Jxyz(jk, 1:3) + rr = xyz - Pbxyz(jk, 1:3) + jj = Jxyz(jk, 1:3) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - distance(2) = sum( rr(1:3) * rr(1:3) ) + vcasingeps**2 ! 04 May 17; + distance(2) = sum( rr * rr ) + vcasingeps**2 ! 04 May 17; distance(1) = sqrt( distance(2) ) ; distance(3) = distance(1) * distance(2) ! powers of distance; 24 Nov 16; @@ -267,9 +267,9 @@ subroutine casing2( xyz, nxyz, gBn) jj(1) * rr(2) - jj(2) * rr(1) /) ! Accumulate B.r/r^3 contributions - accumulator = accumulator + sum( Bxyz(1:3) * nxyz(1:3) ) * firstorderfactor + gBn = gBn + sum( Bxyz * nxyz ) * firstorderfactor enddo - gBn = accumulator * pi2 * pi2 / vcNtz + gBn = gBn * pi2 * pi2 / (plasmaNtz / vcstep) return end subroutine casing2 From 5502bb3660f657e4df83a23ba28ee5777e3b794c Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Fri, 29 Nov 2024 23:52:06 +0100 Subject: [PATCH 04/28] switch between grid based VC or adaptive VC --- src/bnorml.f90 | 81 +++++++++++++++++++++++++++-------------------- src/inputlist.f90 | 5 ++- src/preset.f90 | 21 ++++++------ 3 files changed, 61 insertions(+), 46 deletions(-) diff --git a/src/bnorml.f90 b/src/bnorml.f90 index cb6513e1..8f947fa2 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -85,7 +85,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) use fileunits, only : ounit, lunit - use inputlist, only : Wmacros, Wbnorml, Igeometry, Lcheck, vcasingtol, vcasingper, Lrad + use inputlist, only : Wmacros, Wbnorml, Igeometry, Lcheck, vcasingtol, vcasingper, Lrad, lgridvcasing use cputiming, only : Tbnorml @@ -139,46 +139,56 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) #endif !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! -#define COMPARECASING + #ifdef COMPARECASING -! Precompute Jxyz(1:Ntz,1:3) and the corresponding positions on the high resolution plasma boundary - -!$OMP PARALLEL DO SHARED(Pbxyz, Jxyz) PRIVATE(jk, teta, zeta) -do kk = 0, vcNz-1 ; - zeta = kk * pi2nfp / vcNz - do jj = 0, vcNt-1 ; - teta = jj * pi2 / vcNt ; - jk = 1 + jj + kk*vcNt - - call dvcfieldimpl( teta, zeta, Pbxyz(jk,1:3), Jxyz(jk,1:3) ) - +! When comparing results, both methods should always run +if (.true.) then +#else +if ( lgridvcasing.eq.1 ) then +#endif + ! Precompute Jxyz(1:Ntz,1:3) and the corresponding positions on the high resolution plasma boundary + + !$OMP PARALLEL DO SHARED(Pbxyz, Jxyz) PRIVATE(jk, teta, zeta) + do kk = 0, vcNz-1 ; + zeta = kk * pi2nfp / vcNz + do jj = 0, vcNt-1 ; + teta = jj * pi2 / vcNt ; + jk = 1 + jj + kk*vcNt + + call dvcfieldimpl( teta, zeta, Pbxyz(jk,1:3), Jxyz(jk,1:3) ) + + enddo enddo -enddo -! iterate over resolutions of the virtual casing grid to get an estimate of the accuracy -do vcstep = 4, 0, -1 - !$OMP PARALLEL DO SHARED(Dxyz, Pbxyz, Jxyz, ijimag) PRIVATE(jk, gBn) - do jk = 1, Ntz - call casing2( Dxyz(:,jk), Nxyz(:,jk), Pbxyz(1:vcNtz, 1:3), Jxyz(1:vcNtz, 1:3), 2**vcstep, gBn) - - ijreal(jk) = ijimag(jk) - ijimag(jk) = gBn + ! iterate over resolutions of the virtual casing grid to get an estimate of the accuracy + do vcstep = 3, 0, -1 + !$OMP PARALLEL DO SHARED(Dxyz, Pbxyz, Jxyz, ijimag) PRIVATE(jk, gBn) + do jk = 1, Ntz + call casing2( Dxyz(:,jk), Nxyz(:,jk), Pbxyz(1:vcNtz, 1:3), Jxyz(1:vcNtz, 1:3), 2**vcstep, gBn) + + ijreal(jk) = ijimag(jk) + ijimag(jk) = gBn + enddo + deltah4h2 = deltah2h + deltah2h = sum(abs(ijimag - ijreal)) ! mean delta between the h and h/2 solutions + + ! Order of the integration method: log(deltah4h2/deltah2h)/log(2.0) = 1 + ! relative error: deltah2h/abs(ijimag(jk)) + ! absolute error: delta2h/Ntz + accuracyestimate = deltah2h / sum(abs(ijimag)) enddo - deltah4h2 = deltah2h - deltah2h = sum(abs(ijimag - ijreal)) ! mean delta between the h and h/2 solutions - - ! Order of the integration method: log(deltah4h2/deltah2h)/log(2.0) = 1 - ! relative error: deltah2h/abs(ijimag(jk)) - ! absolute error: delta2h/Ntz - accuracyestimate = deltah2h / sum(abs(ijimag)) -enddo - -if (accuracyestimate.gt.vcasingtol) then - FATAL( bnorml, .true., virtual casing accuracy is too low, increase vcNt and vcNz ) -else - print *, "virtual casing with regular grid produced an accuracy estimate of", accuracyestimate + + write(ounit, '("bnorml : ", 10x ," : accuracyestimate = ",es13.5," ; vcasingtol = ",es13.5)') accuracyestimate, vcasingtol + ! if (accuracyestimate.gt.vcasingtol) then + ! FATAL( bnorml, .true., virtual casing accuracy is too low, increase vcNt and vcNz ) + ! endif +#ifdef COMPARECASING endif +! When comparing results, both methods should always run +if (.true.) then +#else +else ! if not lgridvcasing #endif do kk = 0, Nz-1 ; @@ -209,6 +219,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) enddo ! end of do jj; enddo ! end of do kk; +endif ! end of if (lgridvcasing ) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! 1001 format("bnorml : ", 10x ," : "a1" : (t,z) = ("f8.4","f8.4" ) ; gBn=",f23.15," ; ":" error =",f23.15" ;") diff --git a/src/inputlist.f90 b/src/inputlist.f90 index 54296e9f..f97de389 100644 --- a/src/inputlist.f90 +++ b/src/inputlist.f90 @@ -315,6 +315,7 @@ module inputlist !< INTEGER :: Ntoraxis = 3 !< the number of \f$n\f$ harmonics used in the Jacobian \f$m=1\f$ harmonic elimination method; !< only relevant if \c Lrzaxis.ge.1 . + INTEGER :: Lgridvcasing = 0 !< Which method to use for the virtual casing integral. 0 = adaptive integration routine with guaranteed accuracy, 1 = fixed resolution grid !> @} !> \addtogroup grp_global_local locallist @@ -677,7 +678,8 @@ module inputlist Lextrap ,& Mregular ,& Lrzaxis ,& - Ntoraxis + Ntoraxis ,& + Lgridvcasing namelist/locallist/& LBeltrami ,& @@ -893,6 +895,7 @@ subroutine initialize_inputs Mregular = -1 Lrzaxis = 1 Ntoraxis = 3 + Lgridvcasing = 0 ! locallist diff --git a/src/preset.f90 b/src/preset.f90 index 965a0dd2..85f1c377 100644 --- a/src/preset.f90 +++ b/src/preset.f90 @@ -1723,21 +1723,22 @@ subroutine preset !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! if (Lfreebound > 0) then ! Only do for free-boundary; 7 Nov 18; - if ( vcNt.lt.Nt ) then - FATAL( bnorml, .true., The plasma boundary resolution for virtual casing vcNt must be greater than or equal to Nt ) - endif - if ( vcNz.lt.Nz ) then - FATAL( bnorml, .true., The plasma boundary resolution for virtual casing vcNz must be greater than or equal to Nz ) + if (Lgridvcasing .eq. 1) then + if ( vcNt.lt.Nt ) then + FATAL( bnorml, .true., The plasma boundary resolution for virtual casing vcNt must be greater than or equal to Nt ) + endif + if ( vcNz.lt.Nz ) then + FATAL( bnorml, .true., The plasma boundary resolution for virtual casing vcNz must be greater than or equal to Nz ) + endif + + vcNtz = vcNt*vcNz ! the plasma boundary has to use a higher resolution than the computational boundary + SALLOCATE( Jxyz, (1:vcNtz,1:3), zero ) ! Cartesian components of virtual casing surface current; needs to be recalculated at each iteration; + SALLOCATE( Pbxyz, (1:vcNtz,1:3), zero ) ! Cartesian points on the plasma boundary; needs to be recalculated at each iteration; endif - vcNtz = vcNt*vcNz ! the plasma boundary has to use a higher resolution than the computational boundary - SALLOCATE( Dxyz, (1:3,1:Ntz), zero ) ! Cartesian components of computational boundary; position; 14 Apr 17; SALLOCATE( Nxyz, (1:3,1:Ntz), zero ) ! Cartesian components of computational boundary; normal ; 14 Apr 17; - SALLOCATE( Jxyz, (1:vcNtz,1:3), zero ) ! Cartesian components of virtual casing surface current; needs to be recalculated at each iteration; - SALLOCATE( Pbxyz, (1:vcNtz,1:3), zero ) ! Cartesian points on the plasma boundary; needs to be recalculated at each iteration; - lvol = Mvol ; lss = one ; Lcurvature = 1 ; Lcoordinatesingularity = .false. ! will only require normal field on outer interface = computational boundary; WCALL( preset, coords,( lvol, lss, Lcurvature, Ntz, mn ) ) ! will need Rij, Zij; THE COMPUTATIONAL BOUNDARY DOES NOT CHANGE; From 9ece12bc7bb7dfbe57db19c9346e0c807a27e47c Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Sat, 30 Nov 2024 16:47:50 +0100 Subject: [PATCH 05/28] variable renaming, added to outputlist --- src/bnorml.f90 | 30 +++++++++++------------------- src/casing.f90 | 6 +++--- src/global.f90 | 2 -- src/inputlist.f90 | 6 +++--- src/preset.f90 | 7 +++---- src/sphdf5.f90 | 3 +++ 6 files changed, 23 insertions(+), 31 deletions(-) diff --git a/src/bnorml.f90 b/src/bnorml.f90 index 8f947fa2..a894ca34 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -85,7 +85,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) use fileunits, only : ounit, lunit - use inputlist, only : Wmacros, Wbnorml, Igeometry, Lcheck, vcasingtol, vcasingper, Lrad, lgridvcasing + use inputlist, only : Wmacros, Wbnorml, Igeometry, Lcheck, vcasingtol, vcasingper, Lrad, Lvcgrid use cputiming, only : Tbnorml @@ -99,7 +99,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) Nt, Nz, cfmn, sfmn, & ijreal, ijimag, jireal, jiimag, & globaljk, virtualcasingfactor, gteta, gzeta, Dxyz, Nxyz, & - Jxyz, Pbxyz, vcNtz + Jxyz, Pbxyz !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! @@ -114,6 +114,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) REAL :: accuracyestimate, resulth, resulth2, resulth4, deltah4h2, deltah2h INTEGER :: vcstep + BEGIN(bnorml) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! @@ -144,14 +145,14 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) ! When comparing results, both methods should always run if (.true.) then #else -if ( lgridvcasing.eq.1 ) then +if ( Lvcgrid.eq.1 ) then #endif ! Precompute Jxyz(1:Ntz,1:3) and the corresponding positions on the high resolution plasma boundary - !$OMP PARALLEL DO SHARED(Pbxyz, Jxyz) PRIVATE(jk, teta, zeta) + !$OMP PARALLEL DO SHARED(Pbxyz, Jxyz) PRIVATE(jk, teta, zeta) COLLAPSE(2) do kk = 0, vcNz-1 ; - zeta = kk * pi2nfp / vcNz do jj = 0, vcNt-1 ; + zeta = kk * pi2nfp / vcNz teta = jj * pi2 / vcNt ; jk = 1 + jj + kk*vcNt @@ -164,10 +165,10 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) do vcstep = 3, 0, -1 !$OMP PARALLEL DO SHARED(Dxyz, Pbxyz, Jxyz, ijimag) PRIVATE(jk, gBn) do jk = 1, Ntz - call casing2( Dxyz(:,jk), Nxyz(:,jk), Pbxyz(1:vcNtz, 1:3), Jxyz(1:vcNtz, 1:3), 2**vcstep, gBn) + call casing2( Dxyz(:,jk), Nxyz(:,jk), Pbxyz, Jxyz, 2**vcstep, gBn) - ijreal(jk) = ijimag(jk) - ijimag(jk) = gBn + ijreal(jk) = ijimag(jk) ! previous solution (lower resolution) + ijimag(jk) = gBn ! current solution (higher resolution) enddo deltah4h2 = deltah2h @@ -188,7 +189,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) ! When comparing results, both methods should always run if (.true.) then #else -else ! if not lgridvcasing +else ! if not Lvcgrid #endif do kk = 0, Nz-1 ; @@ -219,7 +220,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) enddo ! end of do jj; enddo ! end of do kk; -endif ! end of if (lgridvcasing ) +endif ! end of if (Lvcgrid ) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! 1001 format("bnorml : ", 10x ," : "a1" : (t,z) = ("f8.4","f8.4" ) ; gBn=",f23.15," ; ":" error =",f23.15" ;") @@ -241,11 +242,6 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) case( 0 ) ! Lparallel = 0 ; 09 Mar 17; RlBCAST(ijreal(1+kk*Nt:Nt+kk*Nt),Nt,kkmodnp) ! plasma; 03 Apr 13; - !RlBCAST(ijimag(1+kk*Nt:Nt+kk*Nt),Nt,kkmodnp) - - !RlBCAST(jireal(1+kk*Nt:Nt+kk*Nt),Nt,kkmodnp) - !RlBCAST(jiimag(1+kk*Nt:Nt+kk*Nt),Nt,kkmodnp) - case( 1 ) ! Lparallel = 1 ; 09 Mar 17; do jj = 0, Nt-1 @@ -255,10 +251,6 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) jkmodnp = modulo(jk-1,ncpu) RlBCAST(ijreal(jk),1,jkmodnp) ! plasma; 03 Apr 13; - !RlBCAST(ijimag(jk),1,jkmodnp) - - !RlBCAST(jireal(jk),1,jkmodnp) - !RlBCAST(jiimag(jk),1,jkmodnp) enddo diff --git a/src/casing.f90 b/src/casing.f90 index 6e679709..d05f6e60 100644 --- a/src/casing.f90 +++ b/src/casing.f90 @@ -230,13 +230,13 @@ subroutine casing2( xyz, nxyz, Pbxyz, Jxyz, vcstep,gBn) use inputlist, only : vcasingeps, vcNz, vcNt - use allglobal, only : myid, ncpu, cpus, MPI_COMM_SPEC, vcNtz !, Pbxyz, Jxyz + use allglobal, only : myid, ncpu, cpus, MPI_COMM_SPEC !, Pbxyz, Jxyz LOCALS REAL, intent(in) :: xyz(3) ! arbitrary location; Cartesian; REAL, intent(in) :: nxyz(3) ! surface normal on the computational boundary; Cartesian; - REAL, intent(in) :: Pbxyz(1:vcNtz, 1:3), Jxyz(1:vcNtz, 1:3) + REAL, intent(in) :: Pbxyz(1:vcNz*vcNt, 1:3), Jxyz(1:vcNz*vcNt, 1:3) INTEGER, intent(in) :: vcstep REAL, intent(out) :: gBn ! B.n on the computational boundary; @@ -245,7 +245,7 @@ subroutine casing2( xyz, nxyz, Pbxyz, Jxyz, vcstep,gBn) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! ! plasmaNtz = SIZE(Pbxyz, 1) - plasmaNtz = vcNtz + plasmaNtz = vcNz*vcNt ! loop over the high resolution plasma boundary (inner boundary for virtual casing) do jk = 1, plasmaNtz, vcstep ; ! position on computational boundary - position on plasma boundary diff --git a/src/global.f90 b/src/global.f90 index 9a20a5e4..acf80149 100644 --- a/src/global.f90 +++ b/src/global.f90 @@ -844,8 +844,6 @@ module allglobal INTEGER :: IBerror !< for computing error in magnetic field INTEGER :: nfreeboundaryiterations !< number of free-boundary iterations already performed - - INTEGER :: vcNtz !< number of grid points in \f$\theta\f$ and \f$\zeta\f$ for the plasma surface current computation !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! INTEGER, parameter :: Node = 2 !< best to make this global for consistency between calling and called routines diff --git a/src/inputlist.f90 b/src/inputlist.f90 index f97de389..18d3fff6 100644 --- a/src/inputlist.f90 +++ b/src/inputlist.f90 @@ -315,7 +315,7 @@ module inputlist !< INTEGER :: Ntoraxis = 3 !< the number of \f$n\f$ harmonics used in the Jacobian \f$m=1\f$ harmonic elimination method; !< only relevant if \c Lrzaxis.ge.1 . - INTEGER :: Lgridvcasing = 0 !< Which method to use for the virtual casing integral. 0 = adaptive integration routine with guaranteed accuracy, 1 = fixed resolution grid + INTEGER :: Lvcgrid = 0 !< Which method to use for the virtual casing integral. 0 = adaptive integration routine with guaranteed accuracy, 1 = fixed resolution grid !> @} !> \addtogroup grp_global_local locallist @@ -679,7 +679,7 @@ module inputlist Mregular ,& Lrzaxis ,& Ntoraxis ,& - Lgridvcasing + Lvcgrid namelist/locallist/& LBeltrami ,& @@ -895,7 +895,7 @@ subroutine initialize_inputs Mregular = -1 Lrzaxis = 1 Ntoraxis = 3 - Lgridvcasing = 0 + Lvcgrid = 0 ! locallist diff --git a/src/preset.f90 b/src/preset.f90 index 85f1c377..6ee70246 100644 --- a/src/preset.f90 +++ b/src/preset.f90 @@ -1723,7 +1723,7 @@ subroutine preset !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! if (Lfreebound > 0) then ! Only do for free-boundary; 7 Nov 18; - if (Lgridvcasing .eq. 1) then + if (Lvcgrid .eq. 1) then if ( vcNt.lt.Nt ) then FATAL( bnorml, .true., The plasma boundary resolution for virtual casing vcNt must be greater than or equal to Nt ) endif @@ -1731,9 +1731,8 @@ subroutine preset FATAL( bnorml, .true., The plasma boundary resolution for virtual casing vcNz must be greater than or equal to Nz ) endif - vcNtz = vcNt*vcNz ! the plasma boundary has to use a higher resolution than the computational boundary - SALLOCATE( Jxyz, (1:vcNtz,1:3), zero ) ! Cartesian components of virtual casing surface current; needs to be recalculated at each iteration; - SALLOCATE( Pbxyz, (1:vcNtz,1:3), zero ) ! Cartesian points on the plasma boundary; needs to be recalculated at each iteration; + SALLOCATE( Jxyz, (1:vcNt*vcNz,1:3), zero ) ! Cartesian components of virtual casing surface current; needs to be recalculated at each iteration; + SALLOCATE( Pbxyz, (1:vcNt*vcNz,1:3), zero ) ! Cartesian points on the plasma boundary; needs to be recalculated at each iteration; endif SALLOCATE( Dxyz, (1:3,1:Ntz), zero ) ! Cartesian components of computational boundary; position; 14 Apr 17; diff --git a/src/sphdf5.f90 b/src/sphdf5.f90 index 756414c9..27a6e7ef 100644 --- a/src/sphdf5.f90 +++ b/src/sphdf5.f90 @@ -294,6 +294,7 @@ subroutine mirror_input_to_outfile HWRITEIV( grpInputNumerics, 1, Mregular , (/ Mregular /)) HWRITEIV( grpInputNumerics, 1, Lrzaxis , (/ Lrzaxis /)) HWRITEIV( grpInputNumerics, 1, Ntoraxis , (/ Ntoraxis /)) + HWRITEIV( grpInputNumerics, 1, Lvcgrid , (/ Lvcgrid /)) HCLOSEGRP( grpInputNumerics, __FILE__, __LINE__) @@ -344,6 +345,8 @@ subroutine mirror_input_to_outfile HWRITEIV( grpInputGlobal, 1, vcasingits , (/ vcasingits /)) HWRITEIV( grpInputGlobal, 1, vcasingper , (/ vcasingper /)) HWRITEIV( grpInputGlobal, 1, mcasingcal , (/ mcasingcal /)) ! redundant; + HWRITEIV( grpInputGlobal, 1, vcnt , (/ vcnt /)) + HWRITEIV( grpInputGlobal, 1, vcnz , (/ vcnz /)) HCLOSEGRP( grpInputGlobal ) From e89bbcf7b7cf49b5e7fdbbb924dcd2d08507716d Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Sat, 30 Nov 2024 16:51:43 +0100 Subject: [PATCH 06/28] add to inputlist copy --- src/global.f90 | 3 +++ 1 file changed, 3 insertions(+) diff --git a/src/global.f90 b/src/global.f90 index acf80149..37237294 100644 --- a/src/global.f90 +++ b/src/global.f90 @@ -1816,6 +1816,7 @@ subroutine wrtend write(iunit,'(" Mregular = ",i9 )') Mregular write(iunit,'(" Lrzaxis = ",i9 )') Lrzaxis write(iunit,'(" Ntoraxis = ",i9 )') Ntoraxis + write(iunit,'(" Lvcgrid = ",i9 )') Lvcgrid write(iunit,'("/")') if( Wwrtend ) then ; cput = GETTIME ; write(ounit,'("wrtend : ",f10.2," : myid=",i3," ; writing locallist ;")') cput-cpus, myid @@ -1857,6 +1858,8 @@ subroutine wrtend write(iunit,'(" vcasingtol = ",es23.15 )') vcasingtol write(iunit,'(" vcasingits = ",i9 )') vcasingits write(iunit,'(" vcasingper = ",i9 )') vcasingper + write(iunit,'(" vcnt = ",i9 )') vcnt + write(iunit,'(" vcnz = ",i9 )') vcnz write(iunit,'("/")') if( Wwrtend ) then ; cput = GETTIME ; write(ounit,'("wrtend : ",f10.2," : myid=",i3," ; writing diagnosticslist ;")') cput-cpus, myid From 87b10c4ecaed56c40b928848212530a1567f35d1 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Sat, 30 Nov 2024 19:08:32 +0100 Subject: [PATCH 07/28] unused variables --- src/bnorml.f90 | 10 +++------- 1 file changed, 3 insertions(+), 7 deletions(-) diff --git a/src/bnorml.f90 b/src/bnorml.f90 index a894ca34..835fb8a9 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -108,9 +108,9 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) INTEGER, intent(in) :: mn, Ntz REAL , intent(out) :: efmn(1:mn), ofmn(1:mn) - INTEGER :: lvol, Lcurvature, Lparallel, ii, jj, kk, jk, ll, kkmodnp, jkmodnp, ifail, id01daf, nvccalls, icasing, ideriv - REAL :: lss, zeta, teta, tetalow, tetaupp, absacc, gBn - REAL :: Bxyz(1:Ntz,1:3), dAt(1:Ntz), dAz(1:Ntz), distance(1:Ntz) + INTEGER :: lvol, Lparallel, ii, jj, kk, jk, ll, kkmodnp, jkmodnp, ifail, id01daf, nvccalls, icasing + REAL :: zeta, teta, gBn + REAL :: Bxyz(1:Ntz,1:3), distance(1:Ntz) REAL :: accuracyestimate, resulth, resulth2, resulth4, deltah4h2, deltah2h INTEGER :: vcstep @@ -124,10 +124,6 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! ijreal(1:Ntz) = zero ! normal plasma field; 15 Oct 12; - !ijimag(1:Ntz) = zero - - !jireal(1:Ntz) = zero - !jiimag(1:Ntz) = zero !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! From ce379cac1f02cce3916097470042f07eb79187b4 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Sat, 7 Dec 2024 13:33:30 +0100 Subject: [PATCH 08/28] variable naming and documentation --- src/bnorml.f90 | 16 ++++----- src/casing.f90 | 97 +++++++++++++++++++++++++++++++++----------------- 2 files changed, 73 insertions(+), 40 deletions(-) diff --git a/src/bnorml.f90 b/src/bnorml.f90 index 835fb8a9..fb92b378 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -111,8 +111,8 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) INTEGER :: lvol, Lparallel, ii, jj, kk, jk, ll, kkmodnp, jkmodnp, ifail, id01daf, nvccalls, icasing REAL :: zeta, teta, gBn REAL :: Bxyz(1:Ntz,1:3), distance(1:Ntz) - REAL :: accuracyestimate, resulth, resulth2, resulth4, deltah4h2, deltah2h - INTEGER :: vcstep + REAL :: vcgriderr, resulth, resulth2, resulth4, deltah4h2, deltah2h + INTEGER :: vcstride BEGIN(bnorml) @@ -152,16 +152,16 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) teta = jj * pi2 / vcNt ; jk = 1 + jj + kk*vcNt - call dvcfieldimpl( teta, zeta, Pbxyz(jk,1:3), Jxyz(jk,1:3) ) + call surfacecurrent( teta, zeta, Pbxyz(jk,1:3), Jxyz(jk,1:3) ) enddo enddo ! iterate over resolutions of the virtual casing grid to get an estimate of the accuracy - do vcstep = 3, 0, -1 + do vcstride = 3, 0, -1 !$OMP PARALLEL DO SHARED(Dxyz, Pbxyz, Jxyz, ijimag) PRIVATE(jk, gBn) do jk = 1, Ntz - call casing2( Dxyz(:,jk), Nxyz(:,jk), Pbxyz, Jxyz, 2**vcstep, gBn) + call casinggrid( Dxyz(:,jk), Nxyz(:,jk), Pbxyz, Jxyz, 2**vcstride, gBn) ijreal(jk) = ijimag(jk) ! previous solution (lower resolution) ijimag(jk) = gBn ! current solution (higher resolution) @@ -173,11 +173,11 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) ! Order of the integration method: log(deltah4h2/deltah2h)/log(2.0) = 1 ! relative error: deltah2h/abs(ijimag(jk)) ! absolute error: delta2h/Ntz - accuracyestimate = deltah2h / sum(abs(ijimag)) + vcgriderr = deltah2h / sum(abs(ijimag)) enddo - write(ounit, '("bnorml : ", 10x ," : accuracyestimate = ",es13.5," ; vcasingtol = ",es13.5)') accuracyestimate, vcasingtol - ! if (accuracyestimate.gt.vcasingtol) then + write(ounit, '("bnorml : ", 10x ," : vcgriderr = ",es13.5," ; vcasingtol = ",es13.5)') vcgriderr, vcasingtol + ! if (vcgriderr.gt.vcasingtol) then ! FATAL( bnorml, .true., virtual casing accuracy is too low, increase vcNt and vcNz ) ! endif #ifdef COMPARECASING diff --git a/src/casing.f90 b/src/casing.f90 index d05f6e60..b5be00c2 100644 --- a/src/casing.f90 +++ b/src/casing.f90 @@ -1,6 +1,32 @@ !> \file !> \brief Constructs the field created by the plasma currents, at an arbitrary, external location using virtual casing. +MODULE ClosureModule + IMPLICIT NONE + TYPE :: Closure + REAL :: captured_var ! Independent state for each instance + CONTAINS + PROCEDURE :: apply => closure_apply ! Type-bound procedure + END TYPE Closure + +CONTAINS + + FUNCTION closure_apply(this, x) RESULT(result) + CLASS(Closure), INTENT(IN) :: this + REAL, INTENT(IN) :: x + REAL :: result + result = this%captured_var * x + END FUNCTION closure_apply + + FUNCTION create_closure(value) RESULT(new_closure) + REAL, INTENT(IN) :: value + TYPE(Closure) :: new_closure + new_closure%captured_var = value ! Capture the state + END FUNCTION create_closure + +END MODULE ClosureModule + + !> \brief Constructs the field created by the plasma currents, at an arbitrary, external location using virtual casing. !> \ingroup grp_free-boundary !> @@ -93,7 +119,7 @@ subroutine casing( teta, zeta, gBn, icasing ) INTEGER, parameter :: Ndim = 2, Nfun = 1 - INTEGER :: ldim, lfun, minpts, maxpts, Lrwk, idcuhre, jk, irestart, funcls, key, num, maxsub + INTEGER :: ldim, lfun, minpts, maxpts, Lrwk, idcuhre, irestart, funcls, key, num, maxsub REAL :: integrals(1:Nfun), low(1:Ndim), upp(1:Ndim), labs, lrel, absest(1:Nfun) REAL, allocatable :: rwk(:) @@ -149,31 +175,31 @@ subroutine casing( teta, zeta, gBn, icasing ) select case( idcuhre ) ! "123456789012345678901234" case(0) ; ; ; exit - case(1) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,jk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "maxpts too smal; " + case(1) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,globaljk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "maxpts too smal; " ; ;!exit - case(2) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,jk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "illegal key; " + case(2) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,globaljk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "illegal key; " ; ; exit - case(3) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,jk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "illegal Ndim; " + case(3) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,globaljk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "illegal Ndim; " ; ; exit - case(4) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,jk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "key.eq.1 & Ndim.ne.2; " + case(4) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,globaljk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "key.eq.1 & Ndim.ne.2; " ; ; exit - case(5) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,jk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "key.eq.2 & Ndim.ne.3; " + case(5) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,globaljk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "key.eq.2 & Ndim.ne.3; " ; ; exit - case(6) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,jk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "numfun < 1; " + case(6) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,globaljk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "numfun < 1; " ; ; exit - case(7) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,jk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "volume is zero; " + case(7) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,globaljk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "volume is zero; " ; ; exit - case(8) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,jk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "maxpts < 3*NUM; " + case(8) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,globaljk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "maxpts < 3*NUM; " ; ; exit - case(9) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,jk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "maxpts < minpts; " + case(9) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,globaljk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "maxpts < minpts; " ; ; exit - case(10) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,jk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "epsabs < 0 & epsrel < 0;" + case(10) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,globaljk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "epsabs < 0 & epsrel < 0;" ; ; exit - case(11) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,jk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "NW is too small; " + case(11) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,globaljk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "NW is too small; " ; ; exit - case(12) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,jk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "illegal irestart; " + case(12) ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,globaljk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "illegal irestart; " ; ; exit - case default ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,jk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "tryin' to kill me? " + case default ; write(ounit,1001) cput-cpus, myid, Dxyz(1:3,globaljk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts, "tryin' to kill me? " ; ; exit end select @@ -191,7 +217,7 @@ subroutine casing( teta, zeta, gBn, icasing ) enddo ! end of virtual casing accuracy infinite-do-loop; 10 Apr 13; #ifdef DEBUG - ; ; if( Wcasing ) write(ounit,1001) cput-cpus, myid, Dxyz(1:3,jk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts + ; ; if( Wcasing ) write(ounit,1001) cput-cpus, myid, Dxyz(1:3,globaljk), gBn, absest(1:Nfun), idcuhre, minpts, maxpts #endif 1001 format("casing : ",f10.2," : myid=",i3," ; [x,y,z]=["es10.2" ,"es10.2" ,"es10.2" ]; gBn="es12.4" , ",& @@ -216,14 +242,21 @@ end subroutine casing !> \brief Compute the field produced by the plasma currents, at an arbitrary, external location using virtual casing. !> \ingroup grp_free-boundary !> -!> casing2() computes the virtual casing field using a fixed resolution grid on the plasma boundary, in contrast to casing() which uses an adaptive integration routine. -!> Because the evaluation positions are known in advance, the most expensive terms of the computation (dvcfield) are precomputed. -!> The integral computed by casing2() is +!> casinggrid() computes the virtual casing field using a fixed resolution grid on the plasma boundary, in contrast to casing() which uses an adaptive integration routine. +!> Because the evaluation positions are known in advance, the most expensive terms of the computation (surfacecurrents, or in the casing() routine dvcfield) are precomputed. +!> The integral computed by casinggrid() is !> \f{eqnarray}{ \int_0^{2\pi} \int_0^{2\pi} \frac{{\bf j}(\theta, \zeta) \times {\bf D}(\theta, \zeta)}{\|{\bf D}(\theta', \zeta')\|^3}+ \;\; d\theta d\zeta !> \f} !> with \f${\bf r}\f$ approximately the distance vector from an evaluation point of the current surface \f${\bf x}(\theta, \zeta)\f$ to the -!> external point \f$(x,y,z)\f$, and the exact formula includes a regularization factor \f$\epsilon\f$ Eqn.\f$(\ref{eq:vcasing_distance})\f$.. -subroutine casing2( xyz, nxyz, Pbxyz, Jxyz, vcstep,gBn) +!> external point \f$(x,y,z)\f$, and the exact formula includes a regularization factor \f$\epsilon\f$ Eqn.\f$(\ref{eq:vcasing_distance})\f$. +!> +!> @param[in] xyz \f$(x,y,z)\f$ cartesian coordinates on the computational boundary +!> @param[in] nxyz cartesian normal vector on the computational boundary +!> @param[in] Pbxyz array of cartesian coordinates on the plasma boundary +!> @param[in] Jxyz array of surface currents \f${\bf B}_{Plasma} \cdot {\bf e}_\theta \times {\bf e}_\zeta \;\f$ on the plasma boundary +!> @param[in] vcstride integer stride for the fixed resolution grid. vcstride = 1 computes the integral at full resolution, vcstride = 2 computes the integral at half resolution, etc. +!> @param[out] gBn normal field \f${\bf B}_{Plasma} \cdot n \;\f$ on the computational boundary +subroutine casinggrid( xyz, nxyz, Pbxyz, Jxyz, vcstride, gBn) use constants, only : zero, one, three, pi2 use fileunits, only : ounit, vunit @@ -237,7 +270,7 @@ subroutine casing2( xyz, nxyz, Pbxyz, Jxyz, vcstep,gBn) REAL, intent(in) :: xyz(3) ! arbitrary location; Cartesian; REAL, intent(in) :: nxyz(3) ! surface normal on the computational boundary; Cartesian; REAL, intent(in) :: Pbxyz(1:vcNz*vcNt, 1:3), Jxyz(1:vcNz*vcNt, 1:3) - INTEGER, intent(in) :: vcstep + INTEGER, intent(in) :: vcstride REAL, intent(out) :: gBn ! B.n on the computational boundary; REAL :: rr(1:3), distance(1:3), jj(1:3), Bxyz(1:3), accumulator, firstorderfactor @@ -247,7 +280,7 @@ subroutine casing2( xyz, nxyz, Pbxyz, Jxyz, vcstep,gBn) ! plasmaNtz = SIZE(Pbxyz, 1) plasmaNtz = vcNz*vcNt ! loop over the high resolution plasma boundary (inner boundary for virtual casing) - do jk = 1, plasmaNtz, vcstep ; + do jk = 1, plasmaNtz, vcstride ; ! position on computational boundary - position on plasma boundary rr = xyz - Pbxyz(jk, 1:3) jj = Jxyz(jk, 1:3) @@ -269,10 +302,10 @@ subroutine casing2( xyz, nxyz, Pbxyz, Jxyz, vcstep,gBn) ! Accumulate B.r/r^3 contributions gBn = gBn + sum( Bxyz * nxyz ) * firstorderfactor enddo - gBn = gBn * pi2 * pi2 / (plasmaNtz / vcstep) + gBn = gBn * pi2 * pi2 / (plasmaNtz / vcstride) return -end subroutine casing2 +end subroutine casinggrid !> \brief Compute the position and surface current on the plasma boundary for the virtual casing @@ -308,9 +341,9 @@ end subroutine casing2 !> !> @param[in] teta \f$\theta\f$ !> @param[in] zeta \f$\zeta\f$ -!> @param[out] pxyz \f${\bf B}_{Plasma} \cdot {\bf e}_\theta \times {\bf e}_\zeta \;\f$ on the computational boundary -!> @param[out] jj \f${\bf B}_{Plasma} \cdot {\bf e}_\theta \times {\bf e}_\zeta \;\f$ on the computational boundary -subroutine dvcfieldimpl( teta, zeta, pxyz, jj) +!> @param[out] pxyz \f$(x,y,z)\f$ cartesian coordinates on the plasma boundary +!> @param[out] jj Surface current \f${\bf B}_{Plasma} \cdot {\bf e}_\theta \times {\bf e}_\zeta \;\f$ on the plasma boundary +subroutine surfacecurrent( teta, zeta, pxyz, jj) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! @@ -332,8 +365,8 @@ subroutine dvcfieldimpl( teta, zeta, pxyz, jj) LOCALS REAL , intent(in) :: teta, zeta ! theta and zeta coordinates on the plasma boundary - REAL , intent(out) :: jj(1:3), & ! Cartesian surface current components on the plasma boundary - pxyz(1:3) ! Position on the plasma boundary + REAL , intent(out) :: jj(1:3), ! Cartesian surface current components on the plasma boundary + REAL , intent(out) :: pxyz(1:3) ! Position on the plasma boundary INTEGER :: ii, mi, ni, ll, ideriv REAL :: dR(0:3), dZ(0:3), gBut, gBuz, gtt, gtz, gzz, sqrtg, Blt, Blz, czeta, szeta, arg, carg, sarg @@ -535,7 +568,7 @@ subroutine dvcfieldimpl( teta, zeta, pxyz, jj) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - end subroutine dvcfieldimpl + end subroutine surfacecurrent !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! @@ -543,7 +576,7 @@ end subroutine dvcfieldimpl !> \ingroup grp_free-boundary !> !> Differential virtual casing integrand with the calling convention required by NAG for the adaptive integration routine. -!> This function wraps dvcfieldimpl and uses a global variable globaljk to determine the position on the computational boundary (not thread safe!). +!> This function wraps surfacecurrent and uses a global variable globaljk to determine the position on the computational boundary (not thread safe!). !> !> @param[in] Ndim number of parameters (==2) !> @param[in] tz \f$\theta\f$ and \f$\zeta\f$ @@ -579,7 +612,7 @@ subroutine dvcfield( Ndim, tz, Nfun, vcintegrand ) #endif !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - call dvcfieldimpl(tz(1), tz(2), pxyz, jj) + call surfacecurrent(tz(1), tz(2), pxyz, jj) ! position on computational boundary - position on plasma boundary rr(1:3) = Dxyz(1:3,globaljk) - pxyz(1:3) From f3a3fa4c06063e2ab1e07cee4125b69c5ab0082d Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Sat, 7 Dec 2024 13:34:41 +0100 Subject: [PATCH 09/28] Revert broken WIP code --- src/casing.f90 | 26 -------------------------- 1 file changed, 26 deletions(-) diff --git a/src/casing.f90 b/src/casing.f90 index b5be00c2..f081e77b 100644 --- a/src/casing.f90 +++ b/src/casing.f90 @@ -1,32 +1,6 @@ !> \file !> \brief Constructs the field created by the plasma currents, at an arbitrary, external location using virtual casing. -MODULE ClosureModule - IMPLICIT NONE - TYPE :: Closure - REAL :: captured_var ! Independent state for each instance - CONTAINS - PROCEDURE :: apply => closure_apply ! Type-bound procedure - END TYPE Closure - -CONTAINS - - FUNCTION closure_apply(this, x) RESULT(result) - CLASS(Closure), INTENT(IN) :: this - REAL, INTENT(IN) :: x - REAL :: result - result = this%captured_var * x - END FUNCTION closure_apply - - FUNCTION create_closure(value) RESULT(new_closure) - REAL, INTENT(IN) :: value - TYPE(Closure) :: new_closure - new_closure%captured_var = value ! Capture the state - END FUNCTION create_closure - -END MODULE ClosureModule - - !> \brief Constructs the field created by the plasma currents, at an arbitrary, external location using virtual casing. !> \ingroup grp_free-boundary !> From 20d9a04ef63b3dd38ee6c6c5dd28a4423a5cb48d Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Sat, 7 Dec 2024 13:44:34 +0100 Subject: [PATCH 10/28] rename to vcNt, vcNz --- src/casing.f90 | 4 ++-- src/global.f90 | 4 ++-- src/sphdf5.f90 | 4 ++-- 3 files changed, 6 insertions(+), 6 deletions(-) diff --git a/src/casing.f90 b/src/casing.f90 index f081e77b..3eabf35c 100644 --- a/src/casing.f90 +++ b/src/casing.f90 @@ -255,7 +255,7 @@ subroutine casinggrid( xyz, nxyz, Pbxyz, Jxyz, vcstride, gBn) plasmaNtz = vcNz*vcNt ! loop over the high resolution plasma boundary (inner boundary for virtual casing) do jk = 1, plasmaNtz, vcstride ; - ! position on computational boundary - position on plasma boundary + ! distance vector between point on computational boundary and point on plasma boundary rr = xyz - Pbxyz(jk, 1:3) jj = Jxyz(jk, 1:3) @@ -588,7 +588,7 @@ subroutine dvcfield( Ndim, tz, Nfun, vcintegrand ) call surfacecurrent(tz(1), tz(2), pxyz, jj) - ! position on computational boundary - position on plasma boundary + ! distance vector between point on computational boundary and point on plasma boundary rr(1:3) = Dxyz(1:3,globaljk) - pxyz(1:3) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! diff --git a/src/global.f90 b/src/global.f90 index 37237294..205cd866 100644 --- a/src/global.f90 +++ b/src/global.f90 @@ -1858,8 +1858,8 @@ subroutine wrtend write(iunit,'(" vcasingtol = ",es23.15 )') vcasingtol write(iunit,'(" vcasingits = ",i9 )') vcasingits write(iunit,'(" vcasingper = ",i9 )') vcasingper - write(iunit,'(" vcnt = ",i9 )') vcnt - write(iunit,'(" vcnz = ",i9 )') vcnz + write(iunit,'(" vcNt = ",i9 )') vcNt + write(iunit,'(" vcNz = ",i9 )') vcNz write(iunit,'("/")') if( Wwrtend ) then ; cput = GETTIME ; write(ounit,'("wrtend : ",f10.2," : myid=",i3," ; writing diagnosticslist ;")') cput-cpus, myid diff --git a/src/sphdf5.f90 b/src/sphdf5.f90 index 27a6e7ef..65d65d49 100644 --- a/src/sphdf5.f90 +++ b/src/sphdf5.f90 @@ -345,8 +345,8 @@ subroutine mirror_input_to_outfile HWRITEIV( grpInputGlobal, 1, vcasingits , (/ vcasingits /)) HWRITEIV( grpInputGlobal, 1, vcasingper , (/ vcasingper /)) HWRITEIV( grpInputGlobal, 1, mcasingcal , (/ mcasingcal /)) ! redundant; - HWRITEIV( grpInputGlobal, 1, vcnt , (/ vcnt /)) - HWRITEIV( grpInputGlobal, 1, vcnz , (/ vcnz /)) + HWRITEIV( grpInputGlobal, 1, vcNt , (/ vcNt /)) + HWRITEIV( grpInputGlobal, 1, vcNz , (/ vcNz /)) HCLOSEGRP( grpInputGlobal ) From 745e4c41cc9f94e04a1cae3b2d16ba8b35144ca3 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Sat, 7 Dec 2024 13:52:02 +0100 Subject: [PATCH 11/28] Revert derivative comment deletion --- src/casing.f90 | 16 ++++++++++++++++ 1 file changed, 16 insertions(+) diff --git a/src/casing.f90 b/src/casing.f90 index 3eabf35c..bf0946d9 100644 --- a/src/casing.f90 +++ b/src/casing.f90 @@ -606,6 +606,22 @@ subroutine dvcfield( Ndim, tz, Nfun, vcintegrand ) jj(1) * rr(2) - jj(2) * rr(1) /) vcintegrand(1) = sum( Bxyz(1:3) * Nxyz(1:3,globaljk) ) * firstorderfactor + + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + + ! vcintegrand( 4) = - three * vcintegrand(1) * rr(1) / distance(2) ! dBxdx; ! need to divide by distance(3) ; 14 Apr 17; + ! vcintegrand( 5) = - three * vcintegrand(1) * rr(2) / distance(2) - jj(3) ! dBxdy; + ! vcintegrand( 6) = - three * vcintegrand(1) * rr(3) / distance(2) + jj(2) ! dBxdz; + ! + ! vcintegrand( 7) = - three * vcintegrand(2) * rr(1) / distance(2) + jj(3) ! dBydx; + ! vcintegrand( 8) = - three * vcintegrand(2) * rr(2) / distance(2) ! dBydy; + ! vcintegrand( 9) = - three * vcintegrand(2) * rr(3) / distance(2) - jj(1) ! dBydz; + ! + ! vcintegrand(10) = - three * vcintegrand(3) * rr(1) / distance(2) - jj(2) ! dBzdx; + ! vcintegrand(11) = - three * vcintegrand(3) * rr(2) / distance(2) + jj(1) ! dBzdy; + ! vcintegrand(12) = - three * vcintegrand(3) * rr(3) / distance(2) ! dBzdz; + + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! return end subroutine dvcfield From 57a2d3fc99a55c33e124bcd29f4431ae6f84415c Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Sat, 7 Dec 2024 14:26:14 +0100 Subject: [PATCH 12/28] typo prevented compilation --- src/casing.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/casing.f90 b/src/casing.f90 index bf0946d9..1c3edaa5 100644 --- a/src/casing.f90 +++ b/src/casing.f90 @@ -339,7 +339,7 @@ subroutine surfacecurrent( teta, zeta, pxyz, jj) LOCALS REAL , intent(in) :: teta, zeta ! theta and zeta coordinates on the plasma boundary - REAL , intent(out) :: jj(1:3), ! Cartesian surface current components on the plasma boundary + REAL , intent(out) :: jj(1:3) ! Cartesian surface current components on the plasma boundary REAL , intent(out) :: pxyz(1:3) ! Position on the plasma boundary INTEGER :: ii, mi, ni, ll, ideriv From b2a3f0d86496ac02121c70b98c6227567ceb2ec9 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Thu, 12 Dec 2024 01:55:48 +0100 Subject: [PATCH 13/28] MPI parallel casinggrid --- src/bnorml.f90 | 50 +++++++++++++++++++++++++++++++++++++++++++------- src/global.f90 | 9 ++++++--- 2 files changed, 49 insertions(+), 10 deletions(-) diff --git a/src/bnorml.f90 b/src/bnorml.f90 index fb92b378..45b2a3b0 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -151,21 +151,57 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) zeta = kk * pi2nfp / vcNz teta = jj * pi2 / vcNt ; jk = 1 + jj + kk*vcNt + + ! Each MPI rank only computes every a 1/ncpu surfacecurrent() calls + select case( Lparallel ) + case( 0 ) ! Lparallel = 0 + if( myid.ne.modulo(kk,ncpu) ) cycle + case( 1 ) ! Lparallel = 1 + if( myid.ne.modulo(jk-1,ncpu) ) cycle + case default ! Lparallel + FATAL( bnorml, .true., invalid Lparallel in parallelization loop ) + end select call surfacecurrent( teta, zeta, Pbxyz(jk,1:3), Jxyz(jk,1:3) ) enddo enddo + ! MPI reductions for positions and currents to accumulate them on all ranks (valid because initialized to zero) + ! and Broadcast the total currents and evaluation points back to all ranks + call MPI_Allreduce(MPI_IN_PLACE, Pbxyz(:,1:3), 3*vcNt*vcNz, MPI_DOUBLE_PRECISION, MPI_SUM, MPI_COMM_SPEC, ierr ) + if (ierr.ne.MPI_SUCCESS) then + FATAL( bnorml, .true., error in MPI_Allreduce for Pbxyz ) + endif + call MPI_Allreduce(MPI_IN_PLACE, Jxyz(:,1:3), 3*vcNt*vcNz, MPI_DOUBLE_PRECISION, MPI_SUM, MPI_COMM_SPEC, ierr ) + if (ierr.ne.MPI_SUCCESS) then + FATAL( bnorml, .true., error in MPI_Allreduce for Jxyz ) + endif + ! iterate over resolutions of the virtual casing grid to get an estimate of the accuracy do vcstride = 3, 0, -1 - !$OMP PARALLEL DO SHARED(Dxyz, Pbxyz, Jxyz, ijimag) PRIVATE(jk, gBn) - do jk = 1, Ntz - call casinggrid( Dxyz(:,jk), Nxyz(:,jk), Pbxyz, Jxyz, 2**vcstride, gBn) - - ijreal(jk) = ijimag(jk) ! previous solution (lower resolution) - ijimag(jk) = gBn ! current solution (higher resolution) - + !$OMP PARALLEL DO SHARED(Dxyz, Pbxyz, Jxyz, ijimag) PRIVATE(jk, gBn) COLLAPSE(2) + do kk = 0, Nz-1 ; + do jj = 0, Nz-1 ; + jk = 1 + jj + kk*Nt + + ! Each MPI rank only computes every a 1/ncpu surfacecurrent() calls + ! Identical MPI parallelization scheme as for Lvcgrid=0 + select case( Lparallel ) + case( 0 ) ! Lparallel = 0 + if( myid.ne.modulo(kk,ncpu) ) cycle + print *, "rank ", myid, ": kk = ", kk, ", jk = ", jk + case( 1 ) ! Lparallel = 1 + if( myid.ne.modulo(jk-1,ncpu) ) cycle + case default ! Lparallel; + FATAL( bnorml, .true., invalid Lparallel in parallelization loop ) + end select ! end of select case( Lparallel ) + + call casinggrid( Dxyz(:,jk), Nxyz(:,jk), Pbxyz, Jxyz, 2**vcstride, gBn) + + ijreal(jk) = ijimag(jk) ! previous solution (lower resolution) + ijimag(jk) = gBn ! current solution (higher resolution) + enddo enddo deltah4h2 = deltah2h deltah2h = sum(abs(ijimag - ijreal)) ! mean delta between the h and h/2 solutions diff --git a/src/global.f90 b/src/global.f90 index 205cd866..750d358c 100644 --- a/src/global.f90 +++ b/src/global.f90 @@ -1338,7 +1338,7 @@ subroutine check_inputs() 1020 format("readin : ",f10.2," : Linitialize=",i3," ;LautoinitBn=",i3," ; Lzerovac=",i2," ; Ndiscrete="i2" ;") 1021 format("readin : ", 10x ," : Nquad="i4" ; iMpol="i4" ; iNtor="i4" ;") 1022 format("readin : ", 10x ," : Lsparse="i2" ; Lsvdiota="i2" ; imethod="i2" ; iorder="i2" ; iprecon="i2" ; iotatol="es13.5" ;") -1023 format("readin : ", 10x ," : Lextrap="i2" ; Mregular="i3" ; Lrzaxis="i2" ; Ntoraxis="i2" ;") +1023 format("readin : ", 10x ," : Lextrap="i2" ; Mregular="i3" ; Lrzaxis="i2" ; Ntoraxis="i2" ; Lvcgrid="i2" ;") FATAL( readin, Ndiscrete.le.0, error ) @@ -1379,13 +1379,13 @@ subroutine check_inputs() write(ounit,1041) escale, opsilon, pcondense, epsilon, wpoloidal, upsilon write(ounit,1042) forcetol, c05xmax, c05xtol, c05factor, LreadGF write(ounit,1043) mfreeits, gBntol, gBnbld - write(ounit,1044) vcasingeps, vcasingtol, vcasingits, vcasingper + write(ounit,1044) vcasingeps, vcasingtol, vcasingits, vcasingper, vcNt, vcNz 1040 format("readin : ",f10.2," : Lfindzero="i2" ;") 1041 format("readin : ", 10x ," : escale="es13.5" ; opsilon="es13.5" ; pcondense="f7.3" ; epsilon="es13.5" ; wpoloidal="f7.4" ; upsilon="es13.5" ;") 1042 format("readin : ", 10x ," : forcetol="es13.5" ; c05xmax="es13.5" ; c05xtol="es13.5" ; c05factor="es13.5" ; LreadGF="L2" ; ") 1043 format("readin : ", 10x ," : mfreeits="i4" ; gBntol="es13.5" ; gBnbld="es13.5" ;") -1044 format("readin : ", 10x ," : vcasingeps="es13.5" ; vcasingtol="es13.5" ; vcasingits="i6" ; vcasingper="i6" ;") +1044 format("readin : ", 10x ," : vcasingeps="es13.5" ; vcasingtol="es13.5" ; vcasingits="i6" ; vcasingper="i6" ; vcNt="i6" ; vcNz="i6" ;") FATAL( readin, escale .lt.zero , error ) FATAL( readin, pcondense .lt.one , error ) @@ -1506,6 +1506,7 @@ subroutine broadcast_inputs IlBCAST( Mregular , 1, 0 ) IlBCAST( Lrzaxis , 1, 0 ) IlBCAST( Ntoraxis , 1, 0 ) + IlBCAST( Lvcgrid , 1, 0 ) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! @@ -1533,6 +1534,8 @@ subroutine broadcast_inputs RlBCAST( vcasingtol, 1 , 0 ) IlBCAST( vcasingits, 1 , 0 ) IlBCAST( vcasingper, 1 , 0 ) + IlBCAST( vcNt, 1 , 0 ) + IlBCAST( vcNz, 1 , 0 ) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! From 1e8ec202f65b19564e0013f5e496826bd1e91bae Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Thu, 12 Dec 2024 02:07:43 +0100 Subject: [PATCH 14/28] typo in loop counter --- src/bnorml.f90 | 9 ++++----- 1 file changed, 4 insertions(+), 5 deletions(-) diff --git a/src/bnorml.f90 b/src/bnorml.f90 index 45b2a3b0..57eaa691 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -124,7 +124,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! ijreal(1:Ntz) = zero ! normal plasma field; 15 Oct 12; - + ijimag(1:Ntz) = zero !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! #ifdef DEBUG @@ -180,9 +180,9 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) ! iterate over resolutions of the virtual casing grid to get an estimate of the accuracy do vcstride = 3, 0, -1 - !$OMP PARALLEL DO SHARED(Dxyz, Pbxyz, Jxyz, ijimag) PRIVATE(jk, gBn) COLLAPSE(2) + !$OMP PARALLEL DO SHARED(Dxyz, Pbxyz, Jxyz, ijreal, ijimag) PRIVATE(jk, gBn) COLLAPSE(2) do kk = 0, Nz-1 ; - do jj = 0, Nz-1 ; + do jj = 0, Nt-1 ; jk = 1 + jj + kk*Nt ! Each MPI rank only computes every a 1/ncpu surfacecurrent() calls @@ -190,7 +190,6 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) select case( Lparallel ) case( 0 ) ! Lparallel = 0 if( myid.ne.modulo(kk,ncpu) ) cycle - print *, "rank ", myid, ": kk = ", kk, ", jk = ", jk case( 1 ) ! Lparallel = 1 if( myid.ne.modulo(jk-1,ncpu) ) cycle case default ! Lparallel; @@ -212,7 +211,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) vcgriderr = deltah2h / sum(abs(ijimag)) enddo - write(ounit, '("bnorml : ", 10x ," : vcgriderr = ",es13.5," ; vcasingtol = ",es13.5)') vcgriderr, vcasingtol + write(ounit, '("bnorml : ", 10x ," : vcgriderr = ",es13.5," ; vcasingtol = ",es13.5,"myid=",i3)') vcgriderr, vcasingtol, myid ! if (vcgriderr.gt.vcasingtol) then ! FATAL( bnorml, .true., virtual casing accuracy is too low, increase vcNt and vcNz ) ! endif From 544cdd079037f993ccf5402492e9ac15fe85a9e9 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Thu, 12 Dec 2024 02:08:59 +0100 Subject: [PATCH 15/28] logging only on rank0 --- src/bnorml.f90 | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/src/bnorml.f90 b/src/bnorml.f90 index 57eaa691..ae5dbd20 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -210,8 +210,9 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) ! absolute error: delta2h/Ntz vcgriderr = deltah2h / sum(abs(ijimag)) enddo - - write(ounit, '("bnorml : ", 10x ," : vcgriderr = ",es13.5," ; vcasingtol = ",es13.5,"myid=",i3)') vcgriderr, vcasingtol, myid + if (myid.eq.0) then + write(ounit, '("bnorml : ", 10x ," : vcgriderr = ",es13.5," ; vcasingtol = ",es13.5s)') vcgriderr, vcasingtol + endif ! if (vcgriderr.gt.vcasingtol) then ! FATAL( bnorml, .true., virtual casing accuracy is too low, increase vcNt and vcNz ) ! endif From 389b4b18df76174ea6dd4d57af6c112f4f0f8e36 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Thu, 12 Dec 2024 15:18:22 +0100 Subject: [PATCH 16/28] Exploit symmetries in VirtualCasing --- src/bnorml.f90 | 70 ++++++++++++++++++++++++++++++++++++++++---------- src/casing.f90 | 3 ++- 2 files changed, 59 insertions(+), 14 deletions(-) diff --git a/src/bnorml.f90 b/src/bnorml.f90 index ae5dbd20..0714ad4f 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -81,7 +81,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) use constants, only : zero, half, one, two, pi, pi2, ten - use numerical, only : small + use numerical, only : small, vsmall use fileunits, only : ounit, lunit @@ -99,7 +99,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) Nt, Nz, cfmn, sfmn, & ijreal, ijimag, jireal, jiimag, & globaljk, virtualcasingfactor, gteta, gzeta, Dxyz, Nxyz, & - Jxyz, Pbxyz + Jxyz, Pbxyz, YESstellsym !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! @@ -112,7 +112,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) REAL :: zeta, teta, gBn REAL :: Bxyz(1:Ntz,1:3), distance(1:Ntz) REAL :: vcgriderr, resulth, resulth2, resulth4, deltah4h2, deltah2h - INTEGER :: vcstride + INTEGER :: vcstride, Nzwithsym BEGIN(bnorml) @@ -136,6 +136,13 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) #endif !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + ! In stellerator symmetric geometry, the virtual casing field also exhibits symmetriy which we can exploit + if (YESstellsym) then + ! we have to compute approximately half points due to symmetry, but including the middle and the edge points! (Closed interval [0, pi]) + Nzwithsym = min(Nz, (Nz + 3) / 2 ) + else + Nzwithsym = Nz + endif #ifdef COMPARECASING ! When comparing results, both methods should always run @@ -145,7 +152,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) #endif ! Precompute Jxyz(1:Ntz,1:3) and the corresponding positions on the high resolution plasma boundary - !$OMP PARALLEL DO SHARED(Pbxyz, Jxyz) PRIVATE(jk, teta, zeta) COLLAPSE(2) + !$OMP PARALLEL DO SHARED(Pbxyz, Jxyz) PRIVATE(jk, jj, kk, teta, zeta) COLLAPSE(2) do kk = 0, vcNz-1 ; do jj = 0, vcNt-1 ; zeta = kk * pi2nfp / vcNz @@ -161,9 +168,9 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) case default ! Lparallel FATAL( bnorml, .true., invalid Lparallel in parallelization loop ) end select - + + ! pbxyz and jxyz are both [out] parameters call surfacecurrent( teta, zeta, Pbxyz(jk,1:3), Jxyz(jk,1:3) ) - enddo enddo @@ -178,13 +185,16 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) FATAL( bnorml, .true., error in MPI_Allreduce for Jxyz ) endif - ! iterate over resolutions of the virtual casing grid to get an estimate of the accuracy + ! iterate over resolutions of the virtual casing grid to get an estimate of the accuracy. Write the result into ijimag do vcstride = 3, 0, -1 - !$OMP PARALLEL DO SHARED(Dxyz, Pbxyz, Jxyz, ijreal, ijimag) PRIVATE(jk, gBn) COLLAPSE(2) - do kk = 0, Nz-1 ; + !$OMP PARALLEL DO SHARED(Dxyz, Nxyz, Pbxyz, Jxyz, ijreal, ijimag) PRIVATE(jk, gBn) COLLAPSE(2) + do kk = 0, Nzwithsym-1 ; do jj = 0, Nt-1 ; jk = 1 + jj + kk*Nt + ! kk = 0 terms are also symmetryic (relevant e.g. for tokamaks) + if ((Nz.eq.1) .and. (jj.gt.((Nt+1)/2))) cycle + ! Each MPI rank only computes every a 1/ncpu surfacecurrent() calls ! Identical MPI parallelization scheme as for Lvcgrid=0 select case( Lparallel ) @@ -198,18 +208,25 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) call casinggrid( Dxyz(:,jk), Nxyz(:,jk), Pbxyz, Jxyz, 2**vcstride, gBn) - ijreal(jk) = ijimag(jk) ! previous solution (lower resolution) - ijimag(jk) = gBn ! current solution (higher resolution) + ijimag(jk) = ijreal(jk) ! previous solution (lower resolution) + ijreal(jk) = gBn ! current solution (higher resolution) enddo enddo + + do jk = 1, Ntz + if(ijreal(jk).ne.ijreal(jk)) then + print *, 'ijreal(jk) contains NAN', jk, ijreal(jk) + endif + enddo deltah4h2 = deltah2h deltah2h = sum(abs(ijimag - ijreal)) ! mean delta between the h and h/2 solutions ! Order of the integration method: log(deltah4h2/deltah2h)/log(2.0) = 1 ! relative error: deltah2h/abs(ijimag(jk)) ! absolute error: delta2h/Ntz - vcgriderr = deltah2h / sum(abs(ijimag)) + vcgriderr = deltah2h / sum(abs(ijreal)) enddo + if (myid.eq.0) then write(ounit, '("bnorml : ", 10x ," : vcgriderr = ",es13.5," ; vcasingtol = ",es13.5s)') vcgriderr, vcasingtol endif @@ -217,6 +234,10 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) ! FATAL( bnorml, .true., virtual casing accuracy is too low, increase vcNt and vcNz ) ! endif #ifdef COMPARECASING + ! To compare with the casing() implementation, copy the results into ijimag + if(Lvcgrid.eq.1) then + ijimag(1:Ntz) = ijreal(1:Ntz) + endif endif ! When comparing results, both methods should always run if (.true.) then @@ -224,12 +245,15 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) else ! if not Lvcgrid #endif - do kk = 0, Nz-1 ; + do kk = 0, Nzwithsym-1 ; zeta = kk * pi2 / Nz do jj = 0, Nt-1 ; teta = jj * pi2 / Nt ; jk = 1 + jj + kk*Nt + ! kk = 0 terms are also symmetryic (relevant e.g. for tokamaks) + if ((Nz.eq.1) .and. (jj.gt.((Nt+1)/2))) cycle + globaljk = jk ! this is global; passed through to vcintegrand & casing; select case( Lparallel ) ! perform in parallel; @@ -294,6 +318,26 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) enddo ! 11 Oct 12; +!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! + ! In stellerator symmetric geometry, the virtual casing field also exhibits symmetriy which we can exploit + if (YESstellsym) then + ! We are dealing with half open intervals in theta and phi [0, 2pi[ so we need to skip the first row and column when mirroring + if (Nz.eq.1) then + do jj = 0, Nt/2; + jk = 1 + jj + ijreal(Ntz + 1 - jk) = -ijreal(jk+1) + enddo + endif + + do kk = 0, Nzwithsym-2; + do jj = 0, Nt-1; + jk = 1 + jj + kk*Nt + + ijreal(Ntz + 1 - jk) = -ijreal(jk+Nt+1) + enddo + enddo + endif + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! ijreal(1:Ntz) = ijreal(1:Ntz) * virtualcasingfactor diff --git a/src/casing.f90 b/src/casing.f90 index 5e72ccfc..c138d27a 100644 --- a/src/casing.f90 +++ b/src/casing.f90 @@ -253,6 +253,7 @@ subroutine casinggrid( xyz, nxyz, Pbxyz, Jxyz, vcstride, gBn) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! ! plasmaNtz = SIZE(Pbxyz, 1) plasmaNtz = vcNz*vcNt + gBn = zero ! loop over the high resolution plasma boundary (inner boundary for virtual casing) do jk = 1, plasmaNtz, vcstride ; ! distance vector between point on computational boundary and point on plasma boundary @@ -339,8 +340,8 @@ subroutine surfacecurrent( teta, zeta, pxyz, jj) LOCALS REAL , intent(in) :: teta, zeta ! theta and zeta coordinates on the plasma boundary - REAL , intent(out) :: jj(1:3) ! Cartesian surface current components on the plasma boundary REAL , intent(out) :: pxyz(1:3) ! Position on the plasma boundary + REAL , intent(out) :: jj(1:3) ! Cartesian surface current components on the plasma boundary INTEGER :: ii, mi, ni, ll, ideriv REAL :: dR(0:3), dZ(0:3), gBut, gBuz, gtt, gtz, gzz, sqrtg, Blt, Blz, czeta, szeta, arg, carg, sarg From dfff9a609e40a06b57d16fbb093e3ea6faae6e07 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Thu, 12 Dec 2024 15:19:10 +0100 Subject: [PATCH 17/28] remove NaN check --- src/bnorml.f90 | 5 ----- 1 file changed, 5 deletions(-) diff --git a/src/bnorml.f90 b/src/bnorml.f90 index 0714ad4f..1d9f705a 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -213,11 +213,6 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) enddo enddo - do jk = 1, Ntz - if(ijreal(jk).ne.ijreal(jk)) then - print *, 'ijreal(jk) contains NAN', jk, ijreal(jk) - endif - enddo deltah4h2 = deltah2h deltah2h = sum(abs(ijimag - ijreal)) ! mean delta between the h and h/2 solutions From f7adb3c1835ec5c1900fb13a93e03b3e55edaedf Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Philipp=20Jura=C5=A1i=C4=87?= <58512364+missing-user@users.noreply.github.com> Date: Fri, 13 Dec 2024 03:24:29 +0100 Subject: [PATCH 18/28] Fix casinggrid bug Grid-virtual-casing implementation didn't compute the surface currents over all field periods, and was incorrect for nfp>1 cases. --- src/bnorml.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/bnorml.f90 b/src/bnorml.f90 index 1d9f705a..320a7eba 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -155,7 +155,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) !$OMP PARALLEL DO SHARED(Pbxyz, Jxyz) PRIVATE(jk, jj, kk, teta, zeta) COLLAPSE(2) do kk = 0, vcNz-1 ; do jj = 0, vcNt-1 ; - zeta = kk * pi2nfp / vcNz + zeta = kk * pi2 / vcNz teta = jj * pi2 / vcNt ; jk = 1 + jj + kk*vcNt From e2c430b415f13f6b7a8f70365a179e60575cd31f Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Fri, 13 Dec 2024 18:43:04 +0100 Subject: [PATCH 19/28] documented, benchmarked, increased accuracy casinggrid --- src/bnorml.f90 | 54 ++++++++++++++++++++++++++++---------------------- src/casing.f90 | 27 ++++++++++++++++--------- 2 files changed, 48 insertions(+), 33 deletions(-) diff --git a/src/bnorml.f90 b/src/bnorml.f90 index 1d9f705a..dd5320a8 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -85,7 +85,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) use fileunits, only : ounit, lunit - use inputlist, only : Wmacros, Wbnorml, Igeometry, Lcheck, vcasingtol, vcasingper, Lrad, Lvcgrid + use inputlist, only : Wmacros, Wbnorml, Igeometry, Lcheck, vcasingtol, vcasingits, vcasingper, Lrad, Lvcgrid use cputiming, only : Tbnorml @@ -111,7 +111,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) INTEGER :: lvol, Lparallel, ii, jj, kk, jk, ll, kkmodnp, jkmodnp, ifail, id01daf, nvccalls, icasing REAL :: zeta, teta, gBn REAL :: Bxyz(1:Ntz,1:3), distance(1:Ntz) - REAL :: vcgriderr, resulth, resulth2, resulth4, deltah4h2, deltah2h + REAL :: absvcerr, relvcerr, resulth, resulth2, resulth4, deltah4h2, deltah2h INTEGER :: vcstride, Nzwithsym @@ -150,27 +150,27 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) #else if ( Lvcgrid.eq.1 ) then #endif - ! Precompute Jxyz(1:Ntz,1:3) and the corresponding positions on the high resolution plasma boundary + ! Precompute Jxyz(:,1:3) and the corresponding positions on the high resolution plasma boundary !$OMP PARALLEL DO SHARED(Pbxyz, Jxyz) PRIVATE(jk, jj, kk, teta, zeta) COLLAPSE(2) do kk = 0, vcNz-1 ; do jj = 0, vcNt-1 ; - zeta = kk * pi2nfp / vcNz + zeta = kk * pi2 / vcNz ! zeta = kk * pi2nfp / vcNz teta = jj * pi2 / vcNt ; jk = 1 + jj + kk*vcNt ! Each MPI rank only computes every a 1/ncpu surfacecurrent() calls select case( Lparallel ) case( 0 ) ! Lparallel = 0 - if( myid.ne.modulo(kk,ncpu) ) cycle + if( myid.ne.modulo(kk,ncpu) ) cycle case( 1 ) ! Lparallel = 1 - if( myid.ne.modulo(jk-1,ncpu) ) cycle + if( myid.ne.modulo(jk-1,ncpu) ) cycle case default ! Lparallel FATAL( bnorml, .true., invalid Lparallel in parallelization loop ) end select ! pbxyz and jxyz are both [out] parameters - call surfacecurrent( teta, zeta, Pbxyz(jk,1:3), Jxyz(jk,1:3) ) + call surfacecurrent( teta, zeta, Pbxyz(jk,1:3), Jxyz(jk,1:3) ) enddo enddo @@ -186,8 +186,13 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) endif ! iterate over resolutions of the virtual casing grid to get an estimate of the accuracy. Write the result into ijimag - do vcstride = 3, 0, -1 - !$OMP PARALLEL DO SHARED(Dxyz, Nxyz, Pbxyz, Jxyz, ijreal, ijimag) PRIVATE(jk, gBn) COLLAPSE(2) + deltah2h = 1e12 + !> The surface currents get precomputed at all points, but maybe we don't have to integrate over the whole grid. + !> Start with a large stride over the plasmaboundary (= how many points to skip at each step), then get progressively finer. + !> Do at least vcasingits iterations (sqrt(vcasingits) resolution per dimension) and halve the stride until the accuracy is reached. + !> At least one step in the resolution cascade is required to determine an estimate of the current accuracy. + do vcstride = INT(log(real(vcNt/sqrt(real(vcasingits))))/log(2.0)), 0, -1 + !$OMP PARALLEL DO SHARED(Dxyz, Nxyz, Pbxyz, Jxyz, ijreal, ijimag) FIRSTPRIVATE(jk, gBn) COLLAPSE(2) do kk = 0, Nzwithsym-1 ; do jj = 0, Nt-1 ; jk = 1 + jj + kk*Nt @@ -206,28 +211,30 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) FATAL( bnorml, .true., invalid Lparallel in parallelization loop ) end select ! end of select case( Lparallel ) - call casinggrid( Dxyz(:,jk), Nxyz(:,jk), Pbxyz, Jxyz, 2**vcstride, gBn) + gBn = zero + globaljk = jk ! only to check against the precomputed values against dvcfield + call casinggrid( Dxyz(1:3,jk), Nxyz(1:3,jk), Pbxyz, Jxyz, 2**vcstride, gBn) ijimag(jk) = ijreal(jk) ! previous solution (lower resolution) ijreal(jk) = gBn ! current solution (higher resolution) - enddo - enddo + enddo ! end of do jj + enddo ! end of do kk deltah4h2 = deltah2h deltah2h = sum(abs(ijimag - ijreal)) ! mean delta between the h and h/2 solutions ! Order of the integration method: log(deltah4h2/deltah2h)/log(2.0) = 1 - ! relative error: deltah2h/abs(ijimag(jk)) - ! absolute error: delta2h/Ntz - vcgriderr = deltah2h / sum(abs(ijreal)) - enddo - - if (myid.eq.0) then - write(ounit, '("bnorml : ", 10x ," : vcgriderr = ",es13.5," ; vcasingtol = ",es13.5s)') vcgriderr, vcasingtol - endif - ! if (vcgriderr.gt.vcasingtol) then - ! FATAL( bnorml, .true., virtual casing accuracy is too low, increase vcNt and vcNz ) - ! endif + absvcerr = deltah2h / sum(abs(ijreal)) + relvcerr = deltah2h / Ntz + if (myid.eq.0) then + write(ounit, '("bnorml : ", 10x ," : relvcerr = ",es13.5," ; absvcerr = ",es13.5," ; vcasingtol = ",es13.5s)') relvcerr, absvcerr, vcasingtol + ! print *, "Convergence order: ", log(deltah4h2/deltah2h)/log(2.0) + endif + ! Tolerance was already reached, exit the loop. (Different threads may exit at different times) + if (absvcerr.lt.vcasingtol .and. relvcerr.lt.vcasingtol) then + exit + endif + enddo ! end of do vcstride #ifdef COMPARECASING ! To compare with the casing() implementation, copy the results into ijimag if(Lvcgrid.eq.1) then @@ -332,7 +339,6 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) enddo enddo endif - !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! ijreal(1:Ntz) = ijreal(1:Ntz) * virtualcasingfactor diff --git a/src/casing.f90 b/src/casing.f90 index c138d27a..797ba754 100644 --- a/src/casing.f90 +++ b/src/casing.f90 @@ -224,36 +224,41 @@ end subroutine casing !> with \f${\bf r}\f$ approximately the distance vector from an evaluation point of the current surface \f${\bf x}(\theta, \zeta)\f$ to the !> external point \f$(x,y,z)\f$, and the exact formula includes a regularization factor \f$\epsilon\f$ Eqn.\f$(\ref{eq:vcasing_distance})\f$. !> +!> Numerically it uses a Kahan Summation algorithm to accumulate the contributions of all inner points, because truncation error quickly dominates the computation when thousands +!> of points are used in both dimensions. +!> !> @param[in] xyz \f$(x,y,z)\f$ cartesian coordinates on the computational boundary -!> @param[in] nxyz cartesian normal vector on the computational boundary +!> @param[in] ntz cartesian normal vector on the computational boundary !> @param[in] Pbxyz array of cartesian coordinates on the plasma boundary !> @param[in] Jxyz array of surface currents \f${\bf B}_{Plasma} \cdot {\bf e}_\theta \times {\bf e}_\zeta \;\f$ on the plasma boundary !> @param[in] vcstride integer stride for the fixed resolution grid. vcstride = 1 computes the integral at full resolution, vcstride = 2 computes the integral at half resolution, etc. !> @param[out] gBn normal field \f${\bf B}_{Plasma} \cdot n \;\f$ on the computational boundary -subroutine casinggrid( xyz, nxyz, Pbxyz, Jxyz, vcstride, gBn) +subroutine casinggrid( xyz, ntz, Pbxyz, Jxyz, vcstride, gBn) use constants, only : zero, one, three, pi2 use fileunits, only : ounit, vunit use inputlist, only : vcasingeps, vcNz, vcNt - use allglobal, only : myid, ncpu, cpus, MPI_COMM_SPEC !, Pbxyz, Jxyz + use allglobal, only : myid, ncpu, cpus, MPI_COMM_SPEC, Dxyz, Nxyz,globaljk,pi2nfp LOCALS - REAL, intent(in) :: xyz(3) ! arbitrary location; Cartesian; - REAL, intent(in) :: nxyz(3) ! surface normal on the computational boundary; Cartesian; + REAL, intent(in) :: xyz(1:3) ! arbitrary location; Cartesian; + REAL, intent(in) :: ntz(1:3) ! surface normal on the computational boundary; Cartesian; REAL, intent(in) :: Pbxyz(1:vcNz*vcNt, 1:3), Jxyz(1:vcNz*vcNt, 1:3) INTEGER, intent(in) :: vcstride REAL, intent(out) :: gBn ! B.n on the computational boundary; REAL :: rr(1:3), distance(1:3), jj(1:3), Bxyz(1:3), accumulator, firstorderfactor + REAL :: gBnlocal ! Local accumulator so we don't directly sum into the destination pointer (Avoid cache thrashing due to false share) + REAL :: c, t, y ! Helper variables for the Kahan summation INTEGER :: plasmaNtz, jk - !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! ! plasmaNtz = SIZE(Pbxyz, 1) plasmaNtz = vcNz*vcNt - gBn = zero + gBnlocal = zero + c = zero ! loop over the high resolution plasma boundary (inner boundary for virtual casing) do jk = 1, plasmaNtz, vcstride ; ! distance vector between point on computational boundary and point on plasma boundary @@ -275,9 +280,13 @@ subroutine casinggrid( xyz, nxyz, Pbxyz, Jxyz, vcstride, gBn) jj(1) * rr(2) - jj(2) * rr(1) /) ! Accumulate B.r/r^3 contributions - gBn = gBn + sum( Bxyz * nxyz ) * firstorderfactor + ! Kahan Summation algorithm + y = sum( Bxyz * ntz ) * firstorderfactor - c ! Correct the next value with the compensation + t = gBnlocal + y ! Add the corrected value to the sum + c = (t - gBnlocal) - y ! Update compensation + gBnlocal = t ! Update the running total enddo - gBn = gBn * pi2 * pi2 / (plasmaNtz / vcstride) + gBn = gBnlocal * pi2 * pi2 / (plasmaNtz / vcstride) return end subroutine casinggrid From 8c8036341f23b7639eab65fd29e9856ba3cfe0ab Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Fri, 13 Dec 2024 20:01:08 +0100 Subject: [PATCH 20/28] correct stride regardless of Nt>Nz or Nt Start with a large stride over the plasmaboundary (= how many points to skip at each step), then get progressively finer. !> Do at least vcasingits iterations (sqrt(vcasingits) resolution per dimension) and halve the stride until the accuracy is reached. !> At least one step in the resolution cascade is required to determine an estimate of the current accuracy. - do vcstride = INT(log(real(vcNt/sqrt(real(vcasingits))))/log(2.0)), 0, -1 + do vcstride = INT(0.5*log(real(vcNt*vcNz/vcasingits))/log(2.0)), 0, -1 !$OMP PARALLEL DO SHARED(Dxyz, Nxyz, Pbxyz, Jxyz, ijreal, ijimag) FIRSTPRIVATE(jk, gBn) COLLAPSE(2) do kk = 0, Nzwithsym-1 ; do jj = 0, Nt-1 ; From 749193350a89837e0875e4f6525003e5860aff29 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Sat, 14 Dec 2024 02:28:08 +0100 Subject: [PATCH 21/28] max relative error instead of mean --- src/bnorml.f90 | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/bnorml.f90 b/src/bnorml.f90 index e92deb58..570f77f4 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -221,11 +221,11 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) enddo ! end of do kk deltah4h2 = deltah2h - deltah2h = sum(abs(ijimag - ijreal)) ! mean delta between the h and h/2 solutions + deltah2h = maxval(abs(ijimag - ijreal)) ! mean delta between the h and h/2 solutions ! Order of the integration method: log(deltah4h2/deltah2h)/log(2.0) = 1 - absvcerr = deltah2h / sum(abs(ijreal)) - relvcerr = deltah2h / Ntz + absvcerr = deltah2h + relvcerr = 2 * deltah2h / maxval(abs(ijreal)) ! overestimate the relative error by a factor of two if (myid.eq.0) then write(ounit, '("bnorml : ", 10x ," : relvcerr = ",es13.5," ; absvcerr = ",es13.5," ; vcasingtol = ",es13.5s)') relvcerr, absvcerr, vcasingtol ! print *, "Convergence order: ", log(deltah4h2/deltah2h)/log(2.0) From e3cb69ec3a7edc0744c2b6476ce708ec8f198ab5 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Mon, 16 Dec 2024 15:25:02 +0100 Subject: [PATCH 22/28] add to tests --- .github/workflows/build.yml | 6 + .github/workflows/build_cmake.yml | 6 + .gitlab-ci.yml | 16 ++ ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp | 234 ++++++++++++++++++++++++++ ci/G3V08L3FrGrid/compare.h5 | Bin 0 -> 1180968 bytes 5 files changed, 262 insertions(+) create mode 100644 ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp create mode 100644 ci/G3V08L3FrGrid/compare.h5 diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml index d6b8fb7a..04e60823 100644 --- a/.github/workflows/build.yml +++ b/.github/workflows/build.yml @@ -63,6 +63,12 @@ jobs: export OMP_NUM_THREADS=1 mpiexec -n 2 --allow-run-as-root ${SPEC_PATH}/xspec G3V08L3Fr.001.sp python3 -m py_spec.ci.test compare.h5 G3V08L3Fr.001.sp.h5 --tol 1e-10 + - name: current_constraint_free_boundary_grid + run: | + cd ${SPEC_PATH}/ci/G3V08L3FrGrid + export OMP_NUM_THREADS=1 + mpiexec -n 2 --allow-run-as-root $SPEC_PATH/install/bin/xspec G3V08L3FrGrid.001.sp + python3 -m py_spec.ci.test compare.h5 G3V08L3FrGrid.001.sp.h5 --tol 1e-10 diff --git a/.github/workflows/build_cmake.yml b/.github/workflows/build_cmake.yml index 3ea86651..fc4e62d4 100644 --- a/.github/workflows/build_cmake.yml +++ b/.github/workflows/build_cmake.yml @@ -69,4 +69,10 @@ jobs: export OMP_NUM_THREADS=1 mpiexec -n 2 --allow-run-as-root $SPEC_PATH/install/bin/xspec G3V08L3Fr.001.sp python3 -m py_spec.ci.test compare.h5 G3V08L3Fr.001.sp.h5 --tol 1e-10 + - name: current_constraint_free_boundary_grid + run: | + cd ${SPEC_PATH}/ci/G3V08L3FrGrid + export OMP_NUM_THREADS=1 + mpiexec -n 2 --allow-run-as-root $SPEC_PATH/install/bin/xspec G3V08L3FrGrid.001.sp + python3 -m py_spec.ci.test compare.h5 G3V08L3FrGrid.001.sp.h5 --tol 1e-10 diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 94d8c6b5..ebb206fe 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -119,3 +119,19 @@ CurrentConstraint_free: - build:centos7 # reproduce: # docker run -v `pwd`:`pwd` -w `pwd` csmiet/testspec sh -c 'source ./source.sh; cd ci/G3V08L3Fr; mpirun -n 4 --allow-run-as-root xspec G3V08L3Fr.001.sp; python3 -m py_spec.ci.test compare.h5 G3V08L3Fr.001.sp.h5' + +CurrentConstraint_free_grid: + stage: test + image: csmiet/testspec + script: + - source source.sh + - cd ci/G3V08L3FrGrid + - mpirun -n 4 --allow-run-as-root xspec G3V08L3FrGrid.001.sp + - python3 -m py_spec.ci.test compare.h5 G3V08L3FrGrid.001.sp.h5 --tol 1e-10 + artifacts: + when: always + paths: + - ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp.h5 + expire_in: 1 week + dependencies: + - build:centos7 \ No newline at end of file diff --git a/ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp b/ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp new file mode 100644 index 00000000..6443944a --- /dev/null +++ b/ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp @@ -0,0 +1,234 @@ +&physicslist + Igeometry = 3 + Istellsym = 1 + Lfreebound = 1 + phiedge = 1.000000000000000E+00 + curtor = -1.187347930492713E-01 + curpol = 4.881440045660601E+00 + gamma = 0.000000000000000E+00 + Nfp = 1 + Nvol = 8 + Mpol = 4 + Ntor = 0 + Lrad = 8 4 4 4 4 4 4 4 4 + tflux = 1.562500000000000E-02 6.250000000000000E-02 1.406250000000000E-01 2.500000000000001E-01 3.906250000000002E-01 5.625000000000001E-01 7.656250000000000E-01 1.000000000000000E+00 2.091910274411301E+00 + pflux = 0.000000000000000E+00 -2.229051459811318E-02 -5.797221981274356E-02 -1.048465195637780E-01 -1.598342781540251E-01 -2.189770364009819E-01 -2.774434484065295E-01 -3.295699704562904E-01 -5.063579643744914E-01 + helicity = -1.185233159533041E-04 4.352416347064213E-06 2.247969531459685E-05 6.349418292781349E-05 1.365469458693930E-04 2.508072061865464E-04 4.154977940805720E-04 6.398895758928918E-04 2.108373382858917E-02 + pscale = 1.256637076121100E-06 + Ladiabatic = 0 + pressure = 1.240234375000000E-01 1.201171875000000E-01 1.123046875000000E-01 1.005859375000000E-01 8.496093749999964E-02 6.542968750000001E-02 4.199218749999999E-02 1.464843750000000E-02 0.000000000000000E+00 + adiabatic = 1.240234375000000E-01 1.201171875000000E-01 1.123046875000000E-01 1.005859375000000E-01 8.496093749999964E-02 6.542968750000001E-02 4.199218749999999E-02 1.464843750000000E-02 0.000000000000000E+00 + mu = -2.505972582937235E-01 -2.423553768104948E-01 -2.258046346086362E-01 -2.007986034655939E-01 -1.671013994805084E-01 -1.244808992090318E-01 -7.325294758141898E-02 -1.695730962214170E-02 0.000000000000000E+00 + Ivolume = -3.917350779014575E-03 -1.528292257746691E-02 -3.293210346280451E-02 -5.490505155132925E-02 -7.841584093870176E-02 -9.982370193182791E-02 -1.147156777262325E-01 -1.187033527604032E-01 -1.187033527604032E-01 + Isurf = -1.493130820478333E-09 -1.032749836620444E-08 -3.437174496228381E-08 -8.418403698765600E-08 -1.749271148531898E-07 -3.359465605741845E-07 -6.368339541893372E-07 -6.214707460650634E-07 0.000000000000000E+00 + Lconstraint = 3 + pl = 0 0 0 0 0 0 0 0 0 0 + ql = 0 0 0 0 0 0 0 0 0 0 + pr = 0 0 0 0 0 0 0 0 0 0 + qr = 0 0 0 0 0 0 0 0 0 0 + iota = -2.603125000000000E-01 -4.853125000000000E-01 -4.712500000000000E-01 -4.478125000000000E-01 -4.150000000000000E-01 -3.728125000000000E-01 -3.212500000000000E-01 -2.603125000000000E-01 -1.900000000000000E-01 0.000000000000000E+00 + lp = 0 0 0 0 0 0 0 0 0 0 + lq = 0 0 0 0 0 0 0 0 0 0 + rp = 0 0 0 0 0 0 0 0 0 0 + rq = 0 0 0 0 0 0 0 0 0 0 + oita = -2.603125000000000E-01 -4.853125000000000E-01 -4.712500000000000E-01 -4.478125000000000E-01 -4.150000000000000E-01 -3.728125000000000E-01 -3.212500000000000E-01 -2.603125000000000E-01 -1.900000000000000E-01 0.000000000000000E+00 + mupftol = 1.000000000000000E-16 + mupfits = 64 + Rac = 4.095909789607840E+00 + Zas = 0.000000000000000E+00 + Ras = 0.000000000000000E+00 + Zac = 0.000000000000000E+00 +Rbc(0,0) = 4.041135400356037E+00 Zbs(0,0) = 0.000000000000000E+00 Rbs(0,0) = 0.000000000000000E+00 Zbc(0,0) = 0.000000000000000E+00 +Rbc(0,1) = 1.038178094199237E+00 Zbs(0,1) = -1.561487214734595E+00 Rbs(0,1) = 0.000000000000000E+00 Zbc(0,1) = 0.000000000000000E+00 +Rbc(0,2) = 2.098569438650291E-02 Zbs(0,2) = 7.517833895284363E-02 Rbs(0,2) = 0.000000000000000E+00 Zbc(0,2) = 0.000000000000000E+00 +Rbc(0,3) = -1.556652677426258E-02 Zbs(0,3) = 1.367069428209015E-02 Rbs(0,3) = 0.000000000000000E+00 Zbc(0,3) = 0.000000000000000E+00 +Rbc(0,4) = 2.661700854262414E-03 Zbs(0,4) = -5.115432971414732E-03 Rbs(0,4) = 0.000000000000000E+00 Zbc(0,4) = 0.000000000000000E+00 +Rbc(0,5) = 4.785899100446688E-04 Zbs(0,5) = -2.367922532281356E-05 Rbs(0,5) = 0.000000000000000E+00 Zbc(0,5) = 0.000000000000000E+00 +Rbc(0,6) = -4.277170158982305E-04 Zbs(0,6) = 4.797132309430473E-04 Rbs(0,6) = 0.000000000000000E+00 Zbc(0,6) = 0.000000000000000E+00 +Rbc(0,7) = 5.543778295070250E-05 Zbs(0,7) = -8.072762565267903E-05 Rbs(0,7) = 0.000000000000000E+00 Zbc(0,7) = 0.000000000000000E+00 +Rbc(0,8) = 4.979036938393830E-05 Zbs(0,8) = -3.718554509294367E-05 Rbs(0,8) = 0.000000000000000E+00 Zbc(0,8) = 0.000000000000000E+00 +Rbc(0,9) = -1.796765283799183E-05 Zbs(0,9) = 1.536933967615198E-05 Rbs(0,9) = 0.000000000000000E+00 Zbc(0,9) = 0.000000000000000E+00 +Rbc(0,10) = -2.377661849947362E-06 Zbs(0,10) = -2.338589168549145E-06 Rbs(0,10) = 0.000000000000000E+00 Zbc(0,10) = 0.000000000000000E+00 +Rbc(0,11) = 3.551786680572178E-06 Zbs(0,11) = -4.338940150422311E-08 Rbs(0,11) = 0.000000000000000E+00 Zbc(0,11) = 0.000000000000000E+00 +Rbc(0,12) = -1.701788334984984E-06 Zbs(0,12) = 1.400088453818361E-06 Rbs(0,12) = 0.000000000000000E+00 Zbc(0,12) = 0.000000000000000E+00 +Rbc(0,13) = 4.333339215270045E-07 Zbs(0,13) = -1.119726848153810E-06 Rbs(0,13) = 0.000000000000000E+00 Zbc(0,13) = 0.000000000000000E+00 +Rbc(0,14) = 3.049252529910454E-07 Zbs(0,14) = -1.318268530889247E-09 Rbs(0,14) = 0.000000000000000E+00 Zbc(0,14) = 0.000000000000000E+00 +Rbc(0,15) = -3.604407231982447E-07 Zbs(0,15) = 3.913690673654217E-07 Rbs(0,15) = 0.000000000000000E+00 Zbc(0,15) = 0.000000000000000E+00 +Rbc(0,16) = 7.584655355530582E-08 Zbs(0,16) = -1.402111970447130E-07 Rbs(0,16) = 0.000000000000000E+00 Zbc(0,16) = 0.000000000000000E+00 +Rbc(0,17) = 8.002500606685238E-08 Zbs(0,17) = -6.474815340032061E-08 Rbs(0,17) = 0.000000000000000E+00 Zbc(0,17) = 0.000000000000000E+00 +Rbc(0,18) = -5.045745254025505E-08 Zbs(0,18) = 5.615707341427055E-08 Rbs(0,18) = 0.000000000000000E+00 Zbc(0,18) = 0.000000000000000E+00 +Rbc(0,19) = -4.742044039673486E-09 Zbs(0,19) = 3.180905965801948E-10 Rbs(0,19) = 0.000000000000000E+00 Zbc(0,19) = 0.000000000000000E+00 +Rbc(0,20) = 1.365790513800586E-08 Zbs(0,20) = -1.327752900952558E-08 Rbs(0,20) = 0.000000000000000E+00 Zbc(0,20) = 0.000000000000000E+00 +Rbc(0,21) = -2.491780260235909E-09 Zbs(0,21) = 3.226308626500275E-09 Rbs(0,21) = 0.000000000000000E+00 Zbc(0,21) = 0.000000000000000E+00 +Rbc(0,22) = -2.258175910797723E-09 Zbs(0,22) = 2.085280130938560E-09 Rbs(0,22) = 0.000000000000000E+00 Zbc(0,22) = 0.000000000000000E+00 +Rbc(0,23) = 9.035538509789723E-10 Zbs(0,23) = -1.103246648737506E-09 Rbs(0,23) = 0.000000000000000E+00 Zbc(0,23) = 0.000000000000000E+00 +Rbc(0,24) = 2.521910786093891E-10 Zbs(0,24) = -1.931113582046620E-10 Rbs(0,24) = 0.000000000000000E+00 Zbc(0,24) = 0.000000000000000E+00 +Rbc(0,25) = -1.544586175302791E-10 Zbs(0,25) = 2.366410258976099E-10 Rbs(0,25) = 0.000000000000000E+00 Zbc(0,25) = 0.000000000000000E+00 +Rbc(0,26) = -3.364106577785311E-11 Zbs(0,26) = -3.467444317281823E-12 Rbs(0,26) = 0.000000000000000E+00 Zbc(0,26) = 0.000000000000000E+00 +Rbc(0,27) = 5.002585191818008E-12 Zbs(0,27) = -3.355899105022525E-11 Rbs(0,27) = 0.000000000000000E+00 Zbc(0,27) = 0.000000000000000E+00 +Rbc(0,28) = 1.651166828997631E-11 Zbs(0,28) = 5.085494430080715E-12 Rbs(0,28) = 0.000000000000000E+00 Zbc(0,28) = 0.000000000000000E+00 +Rbc(0,29) = 1.360704678907421E-11 Zbs(0,29) = 2.322075285404156E-12 Rbs(0,29) = 0.000000000000000E+00 Zbc(0,29) = 0.000000000000000E+00 +Rbc(0,30) = -2.041475056207957E-11 Zbs(0,30) = -8.039344124784536E-12 Rbs(0,30) = 0.000000000000000E+00 Zbc(0,30) = 0.000000000000000E+00 +Rbc(0,31) = -7.244505903823517E-12 Zbs(0,31) = 4.432435918368827E-13 Rbs(0,31) = 0.000000000000000E+00 Zbc(0,31) = 0.000000000000000E+00 +Rbc(0,32) = 3.134916792674994E-11 Zbs(0,32) = 2.843559466998492E-11 Rbs(0,32) = 0.000000000000000E+00 Zbc(0,32) = 0.000000000000000E+00 +Rwc(0,0) = 3.999000000000000E+00 Zws(0,0) = 0.000000000000000E+00 Rws(0,0) = 0.000000000000000E+00 Zwc(0,0) = 0.000000000000000E+00 +Rwc(0,1) = 1.800000000000000E+00 Zws(0,1) = -1.800000000000000E+00 Rws(0,1) = 0.000000000000000E+00 Zwc(0,1) = 0.000000000000000E+00 +Rwc(0,2) = 0.000000000000000E+00 Zws(0,2) = 0.000000000000000E+00 Rws(0,2) = 0.000000000000000E+00 Zwc(0,2) = 0.000000000000000E+00 +Rwc(0,3) = 0.000000000000000E+00 Zws(0,3) = 0.000000000000000E+00 Rws(0,3) = 0.000000000000000E+00 Zwc(0,3) = 0.000000000000000E+00 +Rwc(0,4) = 0.000000000000000E+00 Zws(0,4) = 0.000000000000000E+00 Rws(0,4) = 0.000000000000000E+00 Zwc(0,4) = 0.000000000000000E+00 +Rwc(0,5) = 0.000000000000000E+00 Zws(0,5) = 0.000000000000000E+00 Rws(0,5) = 0.000000000000000E+00 Zwc(0,5) = 0.000000000000000E+00 +Rwc(0,6) = 0.000000000000000E+00 Zws(0,6) = 0.000000000000000E+00 Rws(0,6) = 0.000000000000000E+00 Zwc(0,6) = 0.000000000000000E+00 +Rwc(0,7) = 0.000000000000000E+00 Zws(0,7) = 0.000000000000000E+00 Rws(0,7) = 0.000000000000000E+00 Zwc(0,7) = 0.000000000000000E+00 +Rwc(0,8) = 0.000000000000000E+00 Zws(0,8) = 0.000000000000000E+00 Rws(0,8) = 0.000000000000000E+00 Zwc(0,8) = 0.000000000000000E+00 +Rwc(0,9) = 0.000000000000000E+00 Zws(0,9) = 0.000000000000000E+00 Rws(0,9) = 0.000000000000000E+00 Zwc(0,9) = 0.000000000000000E+00 +Rwc(0,10) = 0.000000000000000E+00 Zws(0,10) = 0.000000000000000E+00 Rws(0,10) = 0.000000000000000E+00 Zwc(0,10) = 0.000000000000000E+00 +Rwc(0,11) = 0.000000000000000E+00 Zws(0,11) = 0.000000000000000E+00 Rws(0,11) = 0.000000000000000E+00 Zwc(0,11) = 0.000000000000000E+00 +Rwc(0,12) = 0.000000000000000E+00 Zws(0,12) = 0.000000000000000E+00 Rws(0,12) = 0.000000000000000E+00 Zwc(0,12) = 0.000000000000000E+00 +Rwc(0,13) = 0.000000000000000E+00 Zws(0,13) = 0.000000000000000E+00 Rws(0,13) = 0.000000000000000E+00 Zwc(0,13) = 0.000000000000000E+00 +Rwc(0,14) = 0.000000000000000E+00 Zws(0,14) = 0.000000000000000E+00 Rws(0,14) = 0.000000000000000E+00 Zwc(0,14) = 0.000000000000000E+00 +Rwc(0,15) = 0.000000000000000E+00 Zws(0,15) = 0.000000000000000E+00 Rws(0,15) = 0.000000000000000E+00 Zwc(0,15) = 0.000000000000000E+00 +Rwc(0,16) = 0.000000000000000E+00 Zws(0,16) = 0.000000000000000E+00 Rws(0,16) = 0.000000000000000E+00 Zwc(0,16) = 0.000000000000000E+00 +Rwc(0,17) = 0.000000000000000E+00 Zws(0,17) = 0.000000000000000E+00 Rws(0,17) = 0.000000000000000E+00 Zwc(0,17) = 0.000000000000000E+00 +Rwc(0,18) = 0.000000000000000E+00 Zws(0,18) = 0.000000000000000E+00 Rws(0,18) = 0.000000000000000E+00 Zwc(0,18) = 0.000000000000000E+00 +Rwc(0,19) = 0.000000000000000E+00 Zws(0,19) = 0.000000000000000E+00 Rws(0,19) = 0.000000000000000E+00 Zwc(0,19) = 0.000000000000000E+00 +Rwc(0,20) = 0.000000000000000E+00 Zws(0,20) = 0.000000000000000E+00 Rws(0,20) = 0.000000000000000E+00 Zwc(0,20) = 0.000000000000000E+00 +Rwc(0,21) = 0.000000000000000E+00 Zws(0,21) = 0.000000000000000E+00 Rws(0,21) = 0.000000000000000E+00 Zwc(0,21) = 0.000000000000000E+00 +Rwc(0,22) = 0.000000000000000E+00 Zws(0,22) = 0.000000000000000E+00 Rws(0,22) = 0.000000000000000E+00 Zwc(0,22) = 0.000000000000000E+00 +Rwc(0,23) = 0.000000000000000E+00 Zws(0,23) = 0.000000000000000E+00 Rws(0,23) = 0.000000000000000E+00 Zwc(0,23) = 0.000000000000000E+00 +Rwc(0,24) = 0.000000000000000E+00 Zws(0,24) = 0.000000000000000E+00 Rws(0,24) = 0.000000000000000E+00 Zwc(0,24) = 0.000000000000000E+00 +Rwc(0,25) = 0.000000000000000E+00 Zws(0,25) = 0.000000000000000E+00 Rws(0,25) = 0.000000000000000E+00 Zwc(0,25) = 0.000000000000000E+00 +Rwc(0,26) = 0.000000000000000E+00 Zws(0,26) = 0.000000000000000E+00 Rws(0,26) = 0.000000000000000E+00 Zwc(0,26) = 0.000000000000000E+00 +Rwc(0,27) = 0.000000000000000E+00 Zws(0,27) = 0.000000000000000E+00 Rws(0,27) = 0.000000000000000E+00 Zwc(0,27) = 0.000000000000000E+00 +Rwc(0,28) = 0.000000000000000E+00 Zws(0,28) = 0.000000000000000E+00 Rws(0,28) = 0.000000000000000E+00 Zwc(0,28) = 0.000000000000000E+00 +Rwc(0,29) = 0.000000000000000E+00 Zws(0,29) = 0.000000000000000E+00 Rws(0,29) = 0.000000000000000E+00 Zwc(0,29) = 0.000000000000000E+00 +Rwc(0,30) = 0.000000000000000E+00 Zws(0,30) = 0.000000000000000E+00 Rws(0,30) = 0.000000000000000E+00 Zwc(0,30) = 0.000000000000000E+00 +Rwc(0,31) = 0.000000000000000E+00 Zws(0,31) = 0.000000000000000E+00 Rws(0,31) = 0.000000000000000E+00 Zwc(0,31) = 0.000000000000000E+00 +Rwc(0,32) = 0.000000000000000E+00 Zws(0,32) = 0.000000000000000E+00 Rws(0,32) = 0.000000000000000E+00 Zwc(0,32) = 0.000000000000000E+00 +Vns(0,0) = 0.000000000000000E+00 Bns(0,0) = 0.000000000000000E+00 Vnc(0,0) = 0.000000000000000E+00 Bnc(0,0) = 0.000000000000000E+00 +Vns(0,1) = -3.794877659624626E-02 Bns(0,1) = 3.216851566291370E-02 Vnc(0,1) = 0.000000000000000E+00 Bnc(0,1) = 0.000000000000000E+00 +Vns(0,2) = -3.922424672833572E-02 Bns(0,2) = -5.715031890662380E-03 Vnc(0,2) = 0.000000000000000E+00 Bnc(0,2) = 0.000000000000000E+00 +Vns(0,3) = 9.308639007382408E-03 Bns(0,3) = -5.739913236142605E-04 Vnc(0,3) = 0.000000000000000E+00 Bnc(0,3) = 0.000000000000000E+00 +Vns(0,4) = -4.028451409448938E-03 Bns(0,4) = 8.204157785357483E-04 Vnc(0,4) = 0.000000000000000E+00 Bnc(0,4) = 0.000000000000000E+00 +Vns(0,5) = 3.313589443914825E-03 Bns(0,5) = -2.953431815673370E-05 Vnc(0,5) = 0.000000000000000E+00 Bnc(0,5) = 0.000000000000000E+00 +Vns(0,6) = -5.532607453983990E-04 Bns(0,6) = -1.668386253319423E-04 Vnc(0,6) = 0.000000000000000E+00 Bnc(0,6) = 0.000000000000000E+00 +Vns(0,7) = 3.428218994380060E-05 Bns(0,7) = 3.234579790990208E-05 Vnc(0,7) = 0.000000000000000E+00 Bnc(0,7) = 0.000000000000000E+00 +Vns(0,8) = 8.337672863031870E-05 Bns(0,8) = 3.995575596057115E-05 Vnc(0,8) = 0.000000000000000E+00 Bnc(0,8) = 0.000000000000000E+00 +Vns(0,9) = -1.474119717292630E-05 Bns(0,9) = -1.639792815785964E-05 Vnc(0,9) = 0.000000000000000E+00 Bnc(0,9) = 0.000000000000000E+00 +Vns(0,10) = 6.218008236436993E-05 Bns(0,10) = -9.455366957759755E-06 Vnc(0,10) = 0.000000000000000E+00 Bnc(0,10) = 0.000000000000000E+00 +Vns(0,11) = -5.844833566026721E-05 Bns(0,11) = 7.056193435980942E-06 Vnc(0,11) = 0.000000000000000E+00 Bnc(0,11) = 0.000000000000000E+00 +Vns(0,12) = 2.524161994086079E-05 Bns(0,12) = 1.943931173292392E-06 Vnc(0,12) = 0.000000000000000E+00 Bnc(0,12) = 0.000000000000000E+00 +Vns(0,13) = -8.506003434154704E-06 Bns(0,13) = -2.865574135919580E-06 Vnc(0,13) = 0.000000000000000E+00 Bnc(0,13) = 0.000000000000000E+00 +Vns(0,14) = 2.346227552948437E-06 Bns(0,14) = -1.801492747585585E-07 Vnc(0,14) = 0.000000000000000E+00 Bnc(0,14) = 0.000000000000000E+00 +Vns(0,15) = 7.951661703768458E-07 Bns(0,15) = 1.113786392891701E-06 Vnc(0,15) = 0.000000000000000E+00 Bnc(0,15) = 0.000000000000000E+00 +Vns(0,16) = -1.745853525635911E-06 Bns(0,16) = -1.383304516545098E-07 Vnc(0,16) = 0.000000000000000E+00 Bnc(0,16) = 0.000000000000000E+00 +Vns(0,17) = 1.078835737470322E-06 Bns(0,17) = -4.125555850075048E-07 Vnc(0,17) = 0.000000000000000E+00 Bnc(0,17) = 0.000000000000000E+00 +Vns(0,18) = -3.939953204899884E-07 Bns(0,18) = 1.321286689483563E-07 Vnc(0,18) = 0.000000000000000E+00 Bnc(0,18) = 0.000000000000000E+00 +Vns(0,19) = 1.217144462573904E-07 Bns(0,19) = 1.430195017347739E-07 Vnc(0,19) = 0.000000000000000E+00 Bnc(0,19) = 0.000000000000000E+00 +Vns(0,20) = -1.902155301364819E-08 Bns(0,20) = -8.078837184863531E-08 Vnc(0,20) = 0.000000000000000E+00 Bnc(0,20) = 0.000000000000000E+00 +Vns(0,21) = -2.648040478570356E-08 Bns(0,21) = -4.453358659624485E-08 Vnc(0,21) = 0.000000000000000E+00 Bnc(0,21) = 0.000000000000000E+00 +Vns(0,22) = 2.779878514149091E-08 Bns(0,22) = 4.207837878333624E-08 Vnc(0,22) = 0.000000000000000E+00 Bnc(0,22) = 0.000000000000000E+00 +Vns(0,23) = -1.375607517619595E-08 Bns(0,23) = 1.111051743069157E-08 Vnc(0,23) = 0.000000000000000E+00 Bnc(0,23) = 0.000000000000000E+00 +Vns(0,24) = 5.170475964997598E-09 Bns(0,24) = -1.995212214569733E-08 Vnc(0,24) = 0.000000000000000E+00 Bnc(0,24) = 0.000000000000000E+00 +Vns(0,25) = -1.832238887978118E-09 Bns(0,25) = -1.115699430794461E-09 Vnc(0,25) = 0.000000000000000E+00 Bnc(0,25) = 0.000000000000000E+00 +Vns(0,26) = 1.567041550057399E-10 Bns(0,26) = 8.799897560316338E-09 Vnc(0,26) = 0.000000000000000E+00 Bnc(0,26) = 0.000000000000000E+00 +Vns(0,27) = 4.746636964325032E-10 Bns(0,27) = -1.119834921835541E-09 Vnc(0,27) = 0.000000000000000E+00 Bnc(0,27) = 0.000000000000000E+00 +Vns(0,28) = -3.901756370229985E-10 Bns(0,28) = -3.623166913106286E-09 Vnc(0,28) = 0.000000000000000E+00 Bnc(0,28) = 0.000000000000000E+00 +Vns(0,29) = 1.874047401481348E-10 Bns(0,29) = 1.147748890119685E-09 Vnc(0,29) = 0.000000000000000E+00 Bnc(0,29) = 0.000000000000000E+00 +Vns(0,30) = -8.053571015120110E-11 Bns(0,30) = 1.379073565906986E-09 Vnc(0,30) = 0.000000000000000E+00 Bnc(0,30) = 0.000000000000000E+00 +Vns(0,31) = 2.769273393977595E-11 Bns(0,31) = -7.551711113767656E-10 Vnc(0,31) = 0.000000000000000E+00 Bnc(0,31) = 0.000000000000000E+00 +Vns(0,32) = 9.623711250383996E-13 Bns(0,32) = -4.709530705132861E-10 Vnc(0,32) = 0.000000000000000E+00 Bnc(0,32) = 0.000000000000000E+00 +/ +&numericlist + Linitialize = 0 + Lzerovac = 0 + Ndiscrete = 12 + Nquad = -12 + iMpol = -12 + iNtor = -12 + Lsparse = 0 + Lsvdiota = 1 + imethod = 3 + iorder = 2 + iprecon = 1 + iotatol = -1.000000000000000E+00 + Lextrap = 0 + Mregular = -1 + LautoinitBn = 0 + Lvcgrid = 1 +/ +&locallist + LBeltrami = 4 + Linitgues = 1 + epsGMRES = 1e-15 +/ +&globallist + Lfindzero = 2 + escale = 0.000000000000000E+00 + opsilon = 1.000000000000000E+00 + pcondense = 4.000000000000000E+00 + epsilon = 1.000000000000000E-01 + wpoloidal = 1.000000000000000E+00 + upsilon = 1.000000000000000E-01 + forcetol = 1.000000000000000E-13 + c05xmax = 1.000000000000000E-06 + c05xtol = 1.000000000000000E-13 + c05factor = 1.000000000000000E-04 + LreadGF = T + mfreeits = 100 + gBntol = 1.000000000000000E-06 + gBnbld = 0.000000000000000E+00 + vcasingeps = 0.000000000000000E+00 + vcasingtol = 1.000000000000000E-12 + vcasingits = 1000 + vcasingper = 1 + vcnt = 512 + vcnz = 512 +/ +&diagnosticslist + odetol = 1.000000000000000E-07 + nPpts = 200 + nPtrj = 3 3 3 3 3 3 3 3 3 + LHevalues = F + LHevectors = F + LHmatrix = F + Lperturbed = 0 + dpp = -1 + dqq = -1 + Lcheck = 0 + Ltiming = F +/ +&screenlist +/ + 0 0 4.093334585563770E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 4.092446004207707E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 4.090650609897955E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 4.087528763035849E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 4.082401351391629E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 4.074235151822619E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 4.061433938496663E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 4.041135400356037E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 + 1 0 1.365592450388462E-01 -1.900398693544442E-01 0.000000000000000E+00 0.000000000000000E+00 2.730078337399156E-01 -3.798783139565216E-01 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z1?~k`9xTZKS864$Xkb@9@U19kcSTiq0k|@0au~Sc)4)@KT{*elznR^YT7l_vu`5Mh zo2Fq`JfgWRuq#W_M&6~a{Fd#8BR5GJJ*JMwNQ%0`k=6aVi(*&GcUyxiOQstXXjmp` z@mh7xm8nyRDF6tD<{i{D=$>Pa@3W_MN;5O=@N~;*p-hKd2g^Q zMtAn+vAc51kGK*%k_E1WnJ9uQpC#)UuIyGKt{4Sh23HO>E&x{?`U*2#8To;@Qj)tG zTuGmh3$9$e5yEg~P!4g0TY|V!7PJjqk=^9RaOF)Rab^A};>vBmtKiCE9V><_<@Ust zxQ0-0$7KZt+u*+6j3w6ZNPo-Qv?A z4}o3jznQr5$o#BH{J2=H5R1;aqM=D#;gZ@7u2jg*0as)`*SX_-WtG`ja3#`(xYA#i zxboogE^y_15pm_{M&e3;JL1ZWdBhcgrApvRo)K|nR)iC{GI=s_<=al;$|J`@aK%4d z2VCL5U;?fbZYHj9dlFY(=bC{l`_+jn!xp!@;znG#H-)(Jk97jL^6ZQpxDs-ZxN>Y7 zaV1KRxbk@maYgRSKyc;LHsZ?hRm7Ev$;6fQ7l59sA;!003;tKB^;!4(BrYmpH5LZ^K5?97eA+AV#S;=rE%!0ULDM0d-urT7v zk$u4oSIlLJEBZ#nm7upIUwLm#UFk+!QkNg4Iy?MoWx5vqy>DG!InMn6c16>ZxZ*RZ ztVPo~ow`C@p{~&P!8o_+{NgK9SAOw={({SKqiekOBCcfQXZHIt?Gkl`x}mD|(wA>%4GCrLIs{s4LW!u52TJ^jzx7A6@<*-Ws4LVJ>dFuIi|%-ky3+kV73@mQHu61K|EA!+0xq<^LhJUlZcqCnyWd{* PZ%;&B`L~t%bI1P=M%mti literal 0 HcmV?d00001 From 461ebec65791c16e43e5c3fdf00db925ab29f734 Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Mon, 16 Dec 2024 15:32:56 +0100 Subject: [PATCH 23/28] increased testcase resolution, improved logging --- ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp | 4 ++-- src/bnorml.f90 | 4 +++- 2 files changed, 5 insertions(+), 3 deletions(-) diff --git a/ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp b/ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp index 6443944a..6000a33b 100644 --- a/ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp +++ b/ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp @@ -181,8 +181,8 @@ Vns(0,32) = 9.623711250383996E-13 Bns(0,32) = -4.709530705132861E-10 Vnc(0, vcasingtol = 1.000000000000000E-12 vcasingits = 1000 vcasingper = 1 - vcnt = 512 - vcnz = 512 + vcnt = 2048 + vcnz = 2048 / &diagnosticslist odetol = 1.000000000000000E-07 diff --git a/src/bnorml.f90 b/src/bnorml.f90 index 570f77f4..3c053f83 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -191,6 +191,8 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) !> Start with a large stride over the plasmaboundary (= how many points to skip at each step), then get progressively finer. !> Do at least vcasingits iterations (sqrt(vcasingits) resolution per dimension) and halve the stride until the accuracy is reached. !> At least one step in the resolution cascade is required to determine an estimate of the current accuracy. + + ! The starting stride is chosen such that it is the largest possible stride log2(sqrt(vcNt*vcNz)), but at least considers vcasingits points do vcstride = INT(0.5*log(real(vcNt*vcNz/vcasingits))/log(2.0)), 0, -1 !$OMP PARALLEL DO SHARED(Dxyz, Nxyz, Pbxyz, Jxyz, ijreal, ijimag) FIRSTPRIVATE(jk, gBn) COLLAPSE(2) do kk = 0, Nzwithsym-1 ; @@ -227,7 +229,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) absvcerr = deltah2h relvcerr = 2 * deltah2h / maxval(abs(ijreal)) ! overestimate the relative error by a factor of two if (myid.eq.0) then - write(ounit, '("bnorml : ", 10x ," : relvcerr = ",es13.5," ; absvcerr = ",es13.5," ; vcasingtol = ",es13.5s)') relvcerr, absvcerr, vcasingtol + write(ounit, '("bnorml : ", 10x ," : relvcerr = ",es13.5," ; absvcerr = ",es13.5," ; resolution reduction = ",i8)') relvcerr, absvcerr, 2**vcstride ! print *, "Convergence order: ", log(deltah4h2/deltah2h)/log(2.0) endif ! Tolerance was already reached, exit the loop. (Different threads may exit at different times) From d8ecd62b728012e20f5bfb96897755b1831ff78c Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Mon, 16 Dec 2024 16:00:20 +0100 Subject: [PATCH 24/28] missing zero initialization broke MPI, casinggrid can now skip parts of resolution cascade --- src/bnorml.f90 | 13 +++++++------ src/global.f90 | 1 + src/preset.f90 | 1 + 3 files changed, 9 insertions(+), 6 deletions(-) diff --git a/src/bnorml.f90 b/src/bnorml.f90 index 3c053f83..93545ee0 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -99,7 +99,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) Nt, Nz, cfmn, sfmn, & ijreal, ijimag, jireal, jiimag, & globaljk, virtualcasingfactor, gteta, gzeta, Dxyz, Nxyz, & - Jxyz, Pbxyz, YESstellsym + Jxyz, Pbxyz, YESstellsym, prevcstride !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! @@ -151,7 +151,8 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) if ( Lvcgrid.eq.1 ) then #endif ! Precompute Jxyz(:,1:3) and the corresponding positions on the high resolution plasma boundary - + Pbxyz(:,1:3) = zero + Jxyz(:,1:3) = zero !$OMP PARALLEL DO SHARED(Pbxyz, Jxyz) PRIVATE(jk, jj, kk, teta, zeta) COLLAPSE(2) do kk = 0, vcNz-1 ; do jj = 0, vcNt-1 ; @@ -190,10 +191,9 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) !> The surface currents get precomputed at all points, but maybe we don't have to integrate over the whole grid. !> Start with a large stride over the plasmaboundary (= how many points to skip at each step), then get progressively finer. !> Do at least vcasingits iterations (sqrt(vcasingits) resolution per dimension) and halve the stride until the accuracy is reached. - !> At least one step in the resolution cascade is required to determine an estimate of the current accuracy. - - ! The starting stride is chosen such that it is the largest possible stride log2(sqrt(vcNt*vcNz)), but at least considers vcasingits points - do vcstride = INT(0.5*log(real(vcNt*vcNz/vcasingits))/log(2.0)), 0, -1 + prevcstride = min(prevcstride, INT(0.5*log(real(vcNt*vcNz/vcasingits))/log(2.0))) + prevcstride = max(prevcstride, 1) !> At least one step in the resolution cascade is required to determine an estimate of the current accuracy. + do vcstride = prevcstride, 0, -1 !$OMP PARALLEL DO SHARED(Dxyz, Nxyz, Pbxyz, Jxyz, ijreal, ijimag) FIRSTPRIVATE(jk, gBn) COLLAPSE(2) do kk = 0, Nzwithsym-1 ; do jj = 0, Nt-1 ; @@ -234,6 +234,7 @@ subroutine bnorml( mn, Ntz, efmn, ofmn ) endif ! Tolerance was already reached, exit the loop. (Different threads may exit at different times) if (absvcerr.lt.vcasingtol .and. relvcerr.lt.vcasingtol) then + prevcstride = vcstride exit endif enddo ! end of do vcstride diff --git a/src/global.f90 b/src/global.f90 index 61e6c480..932d77f6 100644 --- a/src/global.f90 +++ b/src/global.f90 @@ -838,6 +838,7 @@ module allglobal REAL, allocatable :: Nxyz(:,:) !< computational boundary; normal REAL, allocatable :: Jxyz(:,:) !< plasma boundary; surface current REAL, allocatable :: Pbxyz(:,:) !< plasma boundary; position + INTEGER :: prevcstride!< previous virtual casing stride for casinggrid (only relevant when Lvcgrid=1) REAL :: virtualcasingfactor = -one / (four*pi) !< this agrees with diagno diff --git a/src/preset.f90 b/src/preset.f90 index 1c664101..cb686924 100644 --- a/src/preset.f90 +++ b/src/preset.f90 @@ -1735,6 +1735,7 @@ subroutine preset SALLOCATE( Jxyz, (1:vcNt*vcNz,1:3), zero ) ! Cartesian components of virtual casing surface current; needs to be recalculated at each iteration; SALLOCATE( Pbxyz, (1:vcNt*vcNz,1:3), zero ) ! Cartesian points on the plasma boundary; needs to be recalculated at each iteration; + prevcstride = huge(prevcstride) endif SALLOCATE( Dxyz, (1:3,1:Ntz), zero ) ! Cartesian components of computational boundary; position; 14 Apr 17; From 78ff6dc397d3039cd0e305850776a401e05ef72a Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Philipp=20Jura=C5=A1i=C4=87?= <58512364+missing-user@users.noreply.github.com> Date: Mon, 16 Dec 2024 16:05:15 +0100 Subject: [PATCH 25/28] wrong build.yml xspec path --- .github/workflows/build.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml index 04e60823..4d870c85 100644 --- a/.github/workflows/build.yml +++ b/.github/workflows/build.yml @@ -67,7 +67,7 @@ jobs: run: | cd ${SPEC_PATH}/ci/G3V08L3FrGrid export OMP_NUM_THREADS=1 - mpiexec -n 2 --allow-run-as-root $SPEC_PATH/install/bin/xspec G3V08L3FrGrid.001.sp + mpiexec -n 2 --allow-run-as-root $SPEC_PATH/xspec G3V08L3FrGrid.001.sp python3 -m py_spec.ci.test compare.h5 G3V08L3FrGrid.001.sp.h5 --tol 1e-10 From df4b73764a6e223c2c96a5f48b505f5afdb12fed Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Mon, 16 Dec 2024 16:15:58 +0100 Subject: [PATCH 26/28] reduced required resolution for gridVC --- ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp b/ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp index 6000a33b..bbe07438 100644 --- a/ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp +++ b/ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp @@ -181,8 +181,8 @@ Vns(0,32) = 9.623711250383996E-13 Bns(0,32) = -4.709530705132861E-10 Vnc(0, vcasingtol = 1.000000000000000E-12 vcasingits = 1000 vcasingper = 1 - vcnt = 2048 - vcnz = 2048 + vcnt = 360 + vcnz = 412 / &diagnosticslist odetol = 1.000000000000000E-07 From 0b6ab7744bb7502668561a9a7b16b3b0c0fa1e30 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Philipp=20Jura=C5=A1i=C4=87?= <58512364+missing-user@users.noreply.github.com> Date: Tue, 17 Dec 2024 08:38:56 +0100 Subject: [PATCH 27/28] captalize vcNt vcNz --- ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp b/ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp index bbe07438..a434bdb0 100644 --- a/ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp +++ b/ci/G3V08L3FrGrid/G3V08L3FrGrid.001.sp @@ -181,8 +181,8 @@ Vns(0,32) = 9.623711250383996E-13 Bns(0,32) = -4.709530705132861E-10 Vnc(0, vcasingtol = 1.000000000000000E-12 vcasingits = 1000 vcasingper = 1 - vcnt = 360 - vcnz = 412 + vcNt = 360 + vcNz = 412 / &diagnosticslist odetol = 1.000000000000000E-07 From 2cf26c2125eda311427709d2fff7057439b8635d Mon Sep 17 00:00:00 2001 From: Philipp Jurasic Date: Thu, 19 Dec 2024 22:29:41 +0100 Subject: [PATCH 28/28] update documentation --- spec_refs.bib | 15 +++++++++++++++ src/bnorml.f90 | 10 ++++------ 2 files changed, 19 insertions(+), 6 deletions(-) diff --git a/spec_refs.bib b/spec_refs.bib index 3b2d6d06..54a12e45 100644 --- a/spec_refs.bib +++ b/spec_refs.bib @@ -331,6 +331,21 @@ @article{y2017_loizu language = "en" } +@article{y2020_hudson, + doi = {10.1088/1361-6587/ab9a61}, + url = {https://dx.doi.org/10.1088/1361-6587/ab9a61}, + year = {2020}, + month = {jul}, + publisher = {IOP Publishing}, + volume = {62}, + number = {8}, + pages = {084002}, + author = {S R Hudson and J Loizu and C Zhu and Z S Qu and C Nührenberg and S Lazerson and C B Smiet and M J Hole}, + title = {Free-boundary MRxMHD equilibrium calculations using the stepped-pressure equilibrium code}, + journal = {Plasma Physics and Controlled Fusion}, + abstract = {The stepped-pressure equilibrium code (SPEC) (Hudson et al 2012 Phys. Plasmas 19, 112 502) is extended to enable free-boundary multi-region relaxed magnetohydrodynamic (MRxMHD) equilibrium calculations. The vacuum field surrounding the plasma inside an arbitrary 'computational boundary', is computed, and the virtual-casing principle is used iteratively to compute the normal field on so that the equilibrium is consistent with an externally produced magnetic field. Recent modifications to SPEC are described, such as the use of Chebyshev polynomials to describe the radial dependence of the magnetic vector potential, and a variety of free-boundary verification calculations are presented.} +} + @article{y2023_baillod, title = "{Equilibrium\textit{$\beta$}-limits} dependence on bootstrap current in classical stellarators", diff --git a/src/bnorml.f90 b/src/bnorml.f90 index 93545ee0..d9abf2f0 100644 --- a/src/bnorml.f90 +++ b/src/bnorml.f90 @@ -31,7 +31,8 @@ !l tex (Note that the computational boundary does not change, so this needs only to be determined once.) !l tex \item At each point on the computational boundary (i.e., on the discrete grid), !l tex \link{casing} is used to compute the plasma field using the virtual casing principle. -!l tex I think that \link{casing} returns the field in Cartesian coordinates, i.e., ${\bf B} = B_x {\bf i} + B_y {\bf j} + B_z {\bf k}$. +!l tex \link{casing} returns the normal field ${\bf B} \cdot {\bf n}$ on the computational boundary, with ${\bf n}$ being the unit normal vector to the +!l tex computational boundary. Internally it computes the field in Cartesian coordinates, i.e., ${\bf B} = B_x {\bf i} + B_y {\bf j} + B_z {\bf k}$ !l tex \item In toroidal geometry, the vector transformation from Cartesian to cylindrical is given by !l tex \be \begin{array}{cccccccccccccccccccccc} !l tex B^R & = & & + B_x \cos \z & + & B_y \sin \z & & \\ @@ -51,22 +52,19 @@ !> \ingroup grp_free-boundary !> !> **free-boundary constraint** -!>

      +!>
        !>
      • The normal field at the computational boundary, \f$\partial {\cal D}\f$, should be equal to !> \f$\left({\bf B}_P + {\bf B}_C\right)\cdot {\bf e}_\theta \times {\bf e}_\zeta\f$, !> where \f${\bf B}_P\f$ is the "plasma" field (produced by internal plasma currents) and is computed using virtual casing, !> and \f${\bf B}_C\f$ is the "vacuum" field (produced by the external coils) and is given on input.
        • !>
      • The plasma field, \f${\bf B}_P\f$, can only be computed after the equilibrium is determined, -!> but this information is required to compute the equilibrium to begin with; and so there is an iteration involved.
        • +!> but this information is required to compute the equilibrium to begin with; and so there is an iteration involved \cite y2020_hudson . !>
      • Suggested values of the vacuum field can be self generated; see xspech() for more documentation on this.
        • !>
      !> !> **compute the normal field on a regular grid on the computational boundary** !>
        !>
      • For each point on the compuational boundary, casing() is called to compute the normal field produced by the plasma currents.
        • -!>
      • \todo There is a very clumsy attempt to parallelize this which could be greatly improved. -!> -!>
        • !>
      • An FFT gives the required Fourier harmonics.
        • !>
      !> \see casing.f90