From 95c9bae23f9161268f93d16f54f7b6757a1a1551 Mon Sep 17 00:00:00 2001 From: ErolBa Date: Mon, 7 Oct 2024 15:41:39 +0200 Subject: [PATCH] Added force_real for finding force in real space --- src/CMakeLists.txt | 2 +- src/dforce.f90 | 405 +++++++++++++++++++++++++++++++++++++++++++++ src/global.f90 | 3 + src/hesian.f90 | 7 +- 4 files changed, 415 insertions(+), 2 deletions(-) diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index fcc9bfb3..d8d1d404 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -165,7 +165,7 @@ target_compile_options(spec3p # $<$:-r8> ) -set(ALLFILES manual rzaxis packxi volume coords basefn memory metrix ma00aa matrix spsmat spsint mp00ac ma02aa packab tr00ab curent df00ab lforce intghs mtrxhs lbpol brcast dfp100 dfp200 dforce newton casing bnorml jo00aa pp00aa pp00ab bfield stzxyz hesian ra00aa numrec dcuhre minpack iqpack rksuite i1mach d1mach ilut iters sphdf5 preset global xspech) +set(ALLFILES manual rzaxis packxi volume coords basefn memory metrix ma00aa matrix spsmat spsint mp00ac ma02aa packab tr00ab curent df00ab lforce force_real force_real_helper intghs mtrxhs lbpol brcast dfp100 dfp200 dforce newton casing bnorml jo00aa pp00aa pp00ab bfield stzxyz hesian ra00aa numrec dcuhre minpack iqpack rksuite i1mach d1mach ilut iters sphdf5 preset global xspech) string(REPLACE ";" " " ALLFILES_STR "${ALLFILES}") # Build spec executable diff --git a/src/dforce.f90 b/src/dforce.f90 index 05f59b2c..306cdb8c 100644 --- a/src/dforce.f90 +++ b/src/dforce.f90 @@ -1070,3 +1070,408 @@ subroutine fndiff_dforce( NGdof ) RETURN(dforce) end subroutine fndiff_dforce + + +subroutine force_real(position, dBBtotal, NGdof) + + use constants, only : zero, one, pi, pi2 + + use fileunits, only : ounit + + use cputiming, only : Tforce_real + + use inputlist, only : Lrad, Igeometry, Nvol + + use allglobal, only : ncpu, myid, cpus, MPI_COMM_SPEC, & + Mvol, NAdof, Ntz, & + Iquad, & ! convenience; provided to ma00aa as argument to avoid allocations; + iRbc, iZbs, iRbs, iZbc, & ! Fourier harmonics of geometry; vector of independent variables, position, is "unpacked" into iRbc,iZbs; + ImagneticOK, & + YESstellsym, NOTstellsym, & + Lcoordinatesingularity, Lplasmaregion, Lvacuumregion, & + mn, im, in, & + dpflux, dtflux, sweight, & + LGdof, dBdX, & + Ate, Aze, Ato, Azo, & ! only required for broadcasting + psifactor, & + LocalConstraint, xoffset, & + solution, IPdtdPf, & + IsMyVolume, IsMyVolumeValue, WhichCpuID + + LOCALS + + INTEGER, intent(in) :: NGdof ! dimensions; + REAL, intent(in) :: position(0:NGdof) + REAL :: dBBtotal(1:Mvol-1, 1:Ntz) + LOGICAL :: LComputeDerivatives ! + REAL :: lasttime, lasttime2 + + INTEGER :: vvol, innout, ii, jj, irz, issym, iocons, tdoc, idoc, idof, tdof, jdof, ivol, imn, ll, ihybrd1, Ndofgl + INTEGER :: maxfev, ml, muhybr, mode, nprint, nfev, lr, Nbc, NN, cpu_id, ideriv + REAL :: Fdof(1:Mvol-1), Xdof(1:Mvol-1) + INTEGER :: ipiv(1:Mvol) + REAL, allocatable :: fjac(:, :), r(:), Fvec(:), dpfluxout(:) + REAL, allocatable :: dBBcurr(:,:,:) + + INTEGER :: status(MPI_STATUS_SIZE), request_recv, request_send, cpu_send + INTEGER :: id + INTEGER :: iflag, idgesv, Lwork + INTEGER :: idofr,idofz,tdofr,tdofz + + CHARACTER :: packorunpack + EXTERNAL :: force_real_helper + + LOGICAL :: LComputeAxis, dfp100_logical + + BEGIN(force_real) + + !!! Not faster at all, compared to force_real in 'funcs.py' + + ! lasttime = GETTIME + + LComputeDerivatives = .false. + + packorunpack = 'U' ! unpack geometrical degrees-of-freedom; + + WCALL( force_real, packxi,( NGdof, position(0:NGdof), Mvol, mn, iRbc(1:mn,0:Mvol), iZbs(1:mn,0:Mvol), & + iRbs(1:mn,0:Mvol), iZbc(1:mn,0:Mvol), packorunpack, LcomputeDerivatives, LComputeAxis ) ) + + ! Local constraint case - simply call dfp100 and then dfp200 + Xdof(1:Mvol-1) = zero; + + if( LocalConstraint ) then + + SALLOCATE( Fvec, (1:Mvol-1), zero) + + Ndofgl = 0; Fvec(1:Mvol-1) = 0; dfp100_logical = .FALSE.; + Xdof(1:Mvol-1) = dpflux(2:Mvol) + xoffset + + ! Solve for field + dBdX%L = LComputeDerivatives + WCALL(force_real, dfp100, (Ndofgl, Xdof, Fvec, dfp100_logical) ) + + DALLOCATE( Fvec ) + + ! -------------------------------------------------------------------------------------------------- + ! Global constraint - call the master thread calls hybrd1 on dfp100, others call dfp100_loop. + else + + IPDtdPf = zero + Xdof(1:Mvol-1) = dpflux(2:Mvol) + xoffset + + ! add an additional constraint to make the total pflux = 0 + if(Igeometry.eq.1) then + Ndofgl = Mvol + else + ! Mvol-1 surface current constraints + Ndofgl = Mvol-1 + endif + + SALLOCATE( Fvec, (1:Ndofgl), zero ) + + dfp100_logical = .FALSE. + + WCALL(force_real, dfp100, (Ndofgl, Xdof(1:Mvol-1), Fvec(1:Ndofgl), dfp100_logical)) + + SALLOCATE(dpfluxout, (1:Ndofgl), zero ) + if ( myid .eq. 0 ) then + + dpfluxout = Fvec + call DGESV( Ndofgl, 1, IPdtdPf, Ndofgl, ipiv, dpfluxout, Ndofgl, idgesv ) + + ! one step Newton's method + dpflux(2:Mvol) = dpflux(2:Mvol) - dpfluxout(1:Mvol-1) + + if(Igeometry.eq.1) then + dpflux(1) = dpflux(1) - dpfluxout(Mvol) + endif + + endif + + ! Broadcast the field and pflux + RlBCAST(dpfluxout(1:Ndofgl), Ndofgl, 0) + RlBCAST(dpflux(1:Mvol) , Mvol, 0) + + do vvol = 2, Mvol + + WCALL(force_real, IsMyVolume, (vvol)) + + if( IsMyVolumeValue .EQ. 0 ) then + cycle + else if( IsMyVolumeValue .EQ. -1) then + FATAL(force_real, .true., Unassociated volume) + endif + + NN = NAdof(vvol) + + SALLOCATE( solution, (1:NN, 0:2), zero) + + ! Pack field and its derivatives + packorunpack = 'P' + WCALL( force_real, packab, ( packorunpack, vvol, NN, solution(1:NN,0), 0 ) ) ! packing; + WCALL( force_real, packab, ( packorunpack, vvol, NN, solution(1:NN,2), 2 ) ) ! packing; + + ! compute the field with renewed dpflux via single Newton method step + solution(1:NN, 0) = solution(1:NN, 0) - dpfluxout(vvol-1) * solution(1:NN, 2) + + ! Unpack field in vector potential Fourier harmonics + packorunpack = 'U' + WCALL( force_real, packab, ( packorunpack, vvol, NN, solution(1:NN,0), 0 ) ) ! unpacking; + + DALLOCATE( solution ) + + enddo ! end of do vvol = 1, Mvol + + !add an additional constraint to make the total pflux 0 + if(Igeometry.eq.1) then + + vvol = 1 + + WCALL(force_real, IsMyVolume, (vvol)) + + if( IsMyVolumeValue .EQ. 0 ) then + + else if( IsMyVolumeValue .EQ. -1) then + FATAL(force_real, .true., Unassociated volume) + else + NN = NAdof(vvol) + + SALLOCATE( solution, (1:NN, 0:2), zero) + + ! Pack field and its derivatives + packorunpack = 'P' + WCALL( force_real, packab, ( packorunpack, vvol, NN, solution(1:NN,0), 0 ) ) ! packing; + WCALL( force_real, packab, ( packorunpack, vvol, NN, solution(1:NN,2), 2 ) ) ! packing; + + ! compute the field with renewed dpflux via single Newton method step + solution(1:NN, 0) = solution(1:NN, 0) - dpfluxout(Mvol) * solution(1:NN, 2) + + ! Unpack field in vector potential Fourier harmonics + packorunpack = 'U' + WCALL( force_real, packab, ( packorunpack, vvol, NN, solution(1:NN,0), 0 ) ) ! unpacking; + + DALLOCATE( solution ) + endif + endif + + DALLOCATE(Fvec) + DALLOCATE(dpfluxout) + + endif !matches if( LocalConstraint ) + + ! lasttime2 = GETTIME + + ! -------------------------------------------------------------------------------------------------- + ! MPI COMMUNICATIONS + + ! Finally broadcast the field information to all threads from the thread which did the computation + ! TODO: improve MPI communication + do vvol = 1, Mvol + call WhichCpuID(vvol, cpu_id) + + LlBCAST( ImagneticOK(vvol) , 1, cpu_id) + + do ideriv=0,2 + if( (.not.LcomputeDerivatives) .and. (ideriv.ne.0) ) cycle + do ii = 1, mn + RlBCAST( Ate(vvol,ideriv,ii)%s(0:Lrad(vvol)), Lrad(vvol)+1, cpu_id) + RlBCAST( Aze(vvol,ideriv,ii)%s(0:Lrad(vvol)), Lrad(vvol)+1, cpu_id) + enddo + enddo + + enddo + + SALLOCATE( dBBcurr , (1:Mvol, 1:Ntz, 0:1), zero ) ! magnetic field strength (on interfaces) in real space and derivatives; + + if( LocalConstraint ) then + + do vvol = 1, Mvol + + WCALL(force_real, IsMyVolume, (vvol)) + + if( IsMyVolumeValue .EQ. 0 ) then + cycle + else if( IsMyVolumeValue .EQ. -1) then + FATAL(force_real, .true., Unassociated volume) + endif + + LREGION(vvol) ! assigns Lcoordinatesingularity, Lplasmaregion, etc. ; + + dBdX%vol = vvol ! Label + ll = Lrad(vvol) ! Shorthand + NN = NAdof(vvol) ! shorthand; + + do iocons = 0, 1 ! construct field magnitude on inner and outer interfaces; inside do vvol; + + if( vvol.eq.1 .and. iocons.eq.0 ) cycle ! fixed inner boundary (or coordinate axis); + if( vvol.eq.Mvol .and. iocons.eq.1 ) cycle ! fixed outer boundary ; there are no constraints at outer boundary; + + WCALL(force_real, force_real_helper, ( vvol, iocons, Ntz, dBBcurr(vvol, 1:Ntz, iocons)) ) + + enddo ! end of do iocons = 0, 1; + + enddo ! matches do vvol = 1, Mvol + + else ! CASE SEMI GLOBAL CONSTRAINT + + do vvol = 1, Mvol + WCALL(force_real, IsMyVolume, (vvol)) + + if( IsMyVolumeValue .EQ. 0 ) then + cycle + else if( IsMyVolumeValue .EQ. -1) then + FATAL(force_real, .true., Unassociated volume) + endif + + LREGION(vvol) ! assigns Lcoordinatesingularity, Lplasmaregion, etc. ; + ll = Lrad(vvol) ! Shorthand + NN = NAdof(vvol) ! shorthand; + + do iocons = 0, 1 ! construct field magnitude on inner and outer interfaces; inside do vvol; + + if( vvol.eq.1 .and. iocons.eq.0 ) cycle ! fixed inner boundary (or coordinate axis); + if( vvol.eq.Mvol .and. iocons.eq.1 ) cycle ! fixed outer boundary ; there are no constraints at outer boundary; + + WCALL( force_real, force_real_helper, ( vvol, iocons, Ntz, dBBcurr(vvol, 1:Ntz, iocons)) ) + + enddo ! end of do iocons = 0, 1; + + enddo ! end do vvol + + endif ! End of if( LocalConstraint ) + + do vvol = 1, Mvol + LREGION( vvol ) + RlBCAST( dBBcurr(vvol,1:Ntz,0:1), 2*Ntz, modulo(vvol-1,ncpu) ) + enddo + + do vvol = 1, Mvol-1 + + LREGION(vvol) + + if( ImagneticOK(vvol) .and. ImagneticOK(vvol+1) ) then ! the magnetic fields in the volumes adjacent to this interface are valid; + dBBtotal(vvol, 1:Ntz) = dBBcurr(vvol+1, 1:Ntz, 0) - dBBcurr(vvol, 1:Ntz, 1) + + else ! matches if( ImagneticOK(vvol) .and. ImagneticOK(vvol+1) ); + write(*,*) "Error: weird!" + endif ! end of if( ImagneticOK(vvol) .and. ImagneticOK(vvol+1) ) ; + + enddo ! end of do vvol; + + DALLOCATE(dBBcurr) + + ! write(*,*) "TIME:" , lasttime2 - lasttime + + RETURN(force_real) + +end subroutine force_real + + +subroutine force_real_helper( lvol, iocons, Ntz, dBBtemp) + + use constants, only : zero, half, one, two + + use fileunits, only : ounit + + use cputiming, only : Tforce_real_helper + + use inputlist, only : Igeometry, Nvol, Lrad, gamma, pscale, adiabatic, Lcheck + + use allglobal, only : ncpu, myid, cpus, MPI_COMM_SPEC, & + Lcoordinatesingularity, Mvol, & + iRbc, iZbs, iRbs, iZbc, & + YESstellsym, NOTstellsym, & + mn, im, in, regumm, & + ijreal, ijimag, & + efmn, ofmn, cfmn, sfmn, evmn, odmn, comn, simn, & + Nt, Nz, & + Ate, Aze, Ato, Azo, & + TT, RTT, & + sg, guvij, iRij, iZij, dRij, dZij, tRij, tZij, & + mmpp, & + Bemn, Bomn, Iomn, Iemn, Somn, Semn, & + Pomn, Pemn, & + vvolume, & + build_vector_potential + + LOCALS + + INTEGER, intent(in) :: lvol, iocons, Ntz + REAL :: dAt(1:Ntz, -1:2), dAz(1:Ntz, -1:2), dRR(1:Ntz,-1:1), dZZ(1:Ntz,-1:1) + + REAL :: IIl(1:Ntz), dLL(1:Ntz) + INTEGER :: Lcurvature, ii, jj, kk, ll, ifail, ivol, lnn, mi, id!, oicons + REAL :: dBBtemp(1:Ntz), lss, mfactor + + REAL :: dAs(1:Ntz)!, dRdt(-1:1,0:1), dZdt(-1:1,0:1) + REAL :: lgvuij(1:Ntz,1:3,1:3) ! local workspace; 13 Sep 13; + + BEGIN(force_real_helper) + + ! write(*,*) "In the helper", lvol, iocons + + + dAt(1:Ntz, -1:2) = zero ! initialize intent out; 01 Jul 14; + dAz(1:Ntz, -1:2) = zero ! initialize intent out; 01 Jul 14; + + lss = two * iocons - one ! recall that iocons is effective local radial coordinate; 24 Apr 13; + + Lcurvature = 1 + + WCALL( force_real_helper, coords, ( lvol, lss, Lcurvature, Ntz, mn ) ) ! get coordinates and derivatives wrt Rj, Zj, at specific radial location; + + ! Compute covariant vector potential. Stored in efmn, ofmn, cfmn, sfmn. + ! ideriv, tderiv + call build_vector_potential(lvol, iocons, 0, 1) + + ! Map to real space + call invfft( mn, im, in, efmn(1:mn), ofmn(1:mn), cfmn(1:mn), sfmn(1:mn), Nt, Nz, dAt(1:Ntz, 0), dAz(1:Ntz, 0) ) + + dBBtemp(1:Ntz) = half * ( dAz(1:Ntz, id)*dAz(1:Ntz, 0)*guvij(1:Ntz,2,2,0) & + - two * dAz(1:Ntz, id)*dAt(1:Ntz, 0)*guvij(1:Ntz,2,3,0) & + + dAt(1:Ntz, id)*dAt(1:Ntz, 0)*guvij(1:Ntz,3,3,0) ) / sg(1:Ntz,0)**2 + + ! ijreal(1:Ntz) = adiabatic(lvol) * pscale / vvolume(lvol)**gamma + dBB(1:Ntz) ! p + B^2/2; 13 Sep 13; + + RETURN(force_real_helper) + +end subroutine force_real_helper + + +subroutine alloc_hessian() + + use constants, only : zero + + use allglobal, only : LocalConstraint, LGdof, NGdof, Mvol, dFFdRZ, dBBdmp, dmupfdx, hessian, dessian, Lhessianallocated ,Lhessian2Dallocated, Lhessian3Dallocated + + use inputlist, only : Lfindzero + + use cputiming, only : Talloc_hessian + + LOCALS + + BEGIN(alloc_hessian) + + if( .true. ) then + SALLOCATE( dFFdRZ, (1:LGdof,0:1,1:LGdof,0:1,1:Mvol), zero ) + SALLOCATE( dBBdmp, (1:LGdof,1:Mvol,0:1,1:2), zero ) + if( LocalConstraint ) then + SALLOCATE( dmupfdx, (1:Mvol, 1:1,1:2,1:LGdof,0:1), zero ) + else + SALLOCATE( dmupfdx, (1:Mvol, 1:Mvol-1,1:2,1:LGdof,1), zero ) ! TODO change the format to put vvol in last index position... + endif + + SALLOCATE( hessian, (1:NGdof,1:NGdof), zero ) + SALLOCATE( dessian, (1:NGdof,1:LGdof), zero ) + + Lhessianallocated = .true. + else + Lhessianallocated = .false. + endif + Lhessian2Dallocated = .false. + Lhessian3Dallocated = .false. + + + RETURN(alloc_hessian) + +end subroutine alloc_hessian \ No newline at end of file diff --git a/src/global.f90 b/src/global.f90 index 1429473f..e231b397 100644 --- a/src/global.f90 +++ b/src/global.f90 @@ -151,6 +151,9 @@ module cputiming REAL :: Tcurent = 0.0, curentT = 0.0 REAL :: Tdf00ab = 0.0, df00abT = 0.0 REAL :: Tlforce = 0.0, lforceT = 0.0 + REAL :: Tforce_real = 0.0, force_realT = 0.0 + REAL :: Tforce_real_helper = 0.0, force_real_helperT = 0.0 + REAL :: Talloc_hessian = 0.0, alloc_hessianT = 0.0 REAL :: Tintghs = 0.0, intghsT = 0.0 REAL :: Tmtrxhs = 0.0, mtrxhsT = 0.0 REAL :: Tlbpol = 0.0, lbpolT = 0.0 diff --git a/src/hesian.f90 b/src/hesian.f90 index 2ea18d90..61e55c91 100644 --- a/src/hesian.f90 +++ b/src/hesian.f90 @@ -22,7 +22,7 @@ subroutine hesian( NGdof, position, Mvol, mn, LGdof ) use inputlist, only : Wmacros, Whesian, Igeometry, Nvol, pflux, helicity, mu, Lfreebound, & LHevalues, LHevectors, LHmatrix, & Lperturbed, dpp, dqq, & - Lcheck, Lfindzero + Lcheck, Lfindzero, Lconstraint use cputiming, only : Thesian @@ -90,6 +90,11 @@ subroutine hesian( NGdof, position, Mvol, mn, LGdof ) BEGIN(hesian) + ! Only makes sense to compute the Hessian if helicity is constrained + if(Lconstraint.ne.2) then + return + endif + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! lmu(1:Nvol) = mu(1:Nvol) ; lpflux(1:Nvol) = pflux(1:Nvol) ; lhelicity(1:Nvol) = helicity(1:Nvol) ! save original profile information; 20 Jun 14;