From e1183cc478ebfeaf8717b439c25f6b400c08d727 Mon Sep 17 00:00:00 2001 From: ErolBa Date: Thu, 12 Dec 2024 19:26:56 +0100 Subject: [PATCH 1/6] added updates --- src/dforce.f90 | 89 +++++++++++++++++++++++++++++++++++++++++++++++--- src/dfp100.f90 | 15 ++++++++- src/global.f90 | 5 ++- src/hesian.f90 | 54 +++++++++++++++++------------- src/newton.f90 | 2 +- src/preset.f90 | 15 +++++++-- src/sphdf5.f90 | 50 ++++++++++++++++++++++++++-- src/volume.f90 | 5 ++- 8 files changed, 200 insertions(+), 35 deletions(-) diff --git a/src/dforce.f90 b/src/dforce.f90 index 05f59b2c..746513cb 100644 --- a/src/dforce.f90 +++ b/src/dforce.f90 @@ -98,14 +98,14 @@ subroutine dforce( NGdof, position, force, LComputeDerivatives, LComputeAxis) use numerical, only : logtolerance - use fileunits, only : ounit + use fileunits, only : ounit, munit use inputlist, only : Wmacros, Wdforce, Nvol, Ntor, Lrad, Igeometry, & epsilon, & Lconstraint, Lcheck, dRZ, & Lextrap, & mupftol, & - Lfreebound, LHmatrix + Lfreebound, LHmatrix, gamma, pscale, adiabatic use cputiming, only : Tdforce @@ -134,7 +134,8 @@ subroutine dforce( NGdof, position, force, LComputeDerivatives, LComputeAxis) LocalConstraint, xoffset, & solution, IPdtdPf, & IsMyVolume, IsMyVolumeValue, WhichCpuID, & - ext ! For outputing Lcheck = 6 test + ext, & ! For outputing Lcheck = 6 test + BetaTotal, vvolume !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! @@ -164,6 +165,9 @@ subroutine dforce( NGdof, position, force, LComputeDerivatives, LComputeAxis) LOGICAL :: LComputeAxis, dfp100_logical + REAL :: press, voltotal + REAL :: betavol(1:Mvol) + #ifdef DEBUG INTEGER :: isymdiff REAL :: dvol(-1:+1), evolume, imupf(1:2,-2:2), lfactor @@ -239,8 +243,13 @@ subroutine dforce( NGdof, position, force, LComputeDerivatives, LComputeAxis) ! Mvol-1 surface current plus 1 poloidal linking current constraints Ndofgl = Mvol else - ! Mvol-1 surface current constraints - Ndofgl = Mvol-1 + ! 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 endif SALLOCATE( Fvec, (1:Ndofgl), zero ) @@ -257,6 +266,11 @@ subroutine dforce( NGdof, position, force, LComputeDerivatives, LComputeAxis) ! 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 + if( Lfreebound.eq.1 ) then dtflux(Mvol) = dtflux(Mvol ) - dpfluxout(Mvol ) endif @@ -305,6 +319,38 @@ subroutine dforce( NGdof, position, force, LComputeDerivatives, LComputeAxis) 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(dforce, IsMyVolume, (vvol)) + + if( IsMyVolumeValue .EQ. 0 ) then + + else if( IsMyVolumeValue .EQ. -1) then + FATAL(dforce, .true., Unassociated volume) + else + NN = NAdof(vvol) + + SALLOCATE( solution, (1:NN, 0:2), zero) + + ! Pack field and its derivatives + packorunpack = 'P' + WCALL( dforce, packab, ( packorunpack, vvol, NN, solution(1:NN,0), 0 ) ) ! packing; + WCALL( dforce, 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( dforce, packab, ( packorunpack, vvol, NN, solution(1:NN,0), 0 ) ) ! unpacking; + + DALLOCATE( solution ) + endif + endif + DALLOCATE(Fvec) DALLOCATE(dpfluxout) @@ -393,6 +439,28 @@ subroutine dforce( NGdof, position, force, LComputeDerivatives, LComputeAxis) lBBintegral(1:Nvol) = lBBintegral(1:Nvol) * half + voltotal = 0.0 + + do vvol = 1, Mvol + WCALL(dforce, IsMyVolume, (vvol)) + if( IsMyVolumeValue .EQ. 0 ) then + cycle + else if( IsMyVolumeValue .EQ. -1) then + FATAL(dforce, .true., Unassociated volume) + endif + + vvolume(vvol) = vvolume(vvol) + + press = adiabatic(vvol) * pscale / vvolume(vvol)**gamma + + betavol(vvol) = press * vvolume(vvol) / lBBintegral(vvol) + betavol(vvol) = betavol(vvol) * vvolume(vvol) + voltotal = voltotal+vvolume(vvol) + !write(*,*) "Calc beta: ", betavol(vvol), vvolume(vvol) + enddo + + BetaTotal = sum(betavol(1:Nvol))/voltotal ! Calculate total beta which is obtained from individual betas + Energy = sum( lBBintegral(1:Nvol) ) ! should also compute beta; !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! @@ -902,6 +970,17 @@ subroutine dforce( NGdof, position, force, LComputeDerivatives, LComputeAxis) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! +if(Lhessianallocated .and. Igeometry.eq.1) then + if( myid.eq.0 ) then ; cput = GETTIME ; write(ounit,'("hesian : ",f10.2," : LHmatrix="L2" ;")')cput-cpus, LHmatrix ; + write(*,*) "Writing .hessian file..." + open(munit, file=trim(ext)//".sp.hessian", status="unknown", form="unformatted") + write(munit) NGdof + write(munit) hessian(1:NGdof,1:NGdof) + close(munit) + + endif + endif + RETURN(dforce) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! diff --git a/src/dfp100.f90 b/src/dfp100.f90 index acb75e37..dd724ada 100644 --- a/src/dfp100.f90 +++ b/src/dfp100.f90 @@ -63,7 +63,7 @@ subroutine dfp100(Ndofgl, x, Fvec, LComputeDerivatives) DDtzcc, DDtzcs, DDtzsc, DDtzss, & DDzzcc, DDzzcs, DDzzsc, DDzzss, & dMA, dMB, dMD, dMG, MBpsi, solution, & - Nt, Nz, LILUprecond, Lsavedguvij, NOTMatrixFree, guvijsave, izbs + Nt, Nz, LILUprecond, Lsavedguvij, NOTMatrixFree, guvijsave, izbs, total_pflux LOCALS !------ @@ -205,6 +205,19 @@ subroutine dfp100(Ndofgl, x, Fvec, LComputeDerivatives) Fvec(1:Mvol-1) = IPDt(1:Mvol-1) - Isurf(1:Mvol-1) endif + ! Set the total pflux to 0 + if(Igeometry.eq.1) then + + IPDtDpf(1,Mvol) = -pi2 * Bt00(1,1,2) + IPdtdPf(2:Mvol,Mvol) = 0.0 + IPDtDpf(Mvol,1:Mvol) = 1.0 + + ! Constraint the total pflux (pflux(Mvol)) + ! zero for symmetric initial profiles + ! non-zero for asymmetric profiles + Fvec(Mvol) = sum(dpflux(1:Mvol)) - total_pflux + endif + ! Compute poloidal linking current constraint as well in case of free boundary computation if ( Lfreebound.eq.1 ) then diff --git a/src/global.f90 b/src/global.f90 index eef1a344..902cd112 100644 --- a/src/global.f90 +++ b/src/global.f90 @@ -251,11 +251,14 @@ module allglobal REAL :: ForceErr !< total force-imbalance REAL :: Energy !< MHD energy REAL :: BnsErr !< (in freeboundary) error in self-consistency of field on plasma boundary (Picard iteration) + REAL :: BetaTotal = 0.0 !< Beta, averaged over entire domain REAL , allocatable :: IPDt(:), IPDtDpf(:,:) !< Toroidal pressure-driven current INTEGER :: Mvol !< total number of volumes (including the vacuum region in the case of free-boundary calculations) + REAL :: total_pflux ! used when Lconstraint=3, Igeometry=1 + LOGICAL :: YESstellsym !< internal shorthand copies of Istellsym, which is an integer input; LOGICAL :: NOTstellsym !< internal shorthand copies of Istellsym, which is an integer input; @@ -1678,7 +1681,7 @@ subroutine wrtend write(iunit,'(" adiabatic = ",257es23.15)') adiabatic(1:Mvol) write(iunit,'(" mu = ",257es23.15)') mu(1:Mvol) write(iunit,'(" Ivolume = ",257es23.15)') Ivolume(1:Mvol) - write(iunit,'(" Isurf = ",257es23.15)') Isurf(1:Mvol-1), 0.0 + write(iunit,'(" Isurf = ",257es23.15)') IPDt(1:Mvol) ! Prints the actual surf current, not the targeted one write(iunit,'(" Lconstraint = ",i9 )') Lconstraint write(iunit,'(" pl = ",257i23 )') pl(0:Mvol) write(iunit,'(" ql = ",257i23 )') ql(0:Mvol) diff --git a/src/hesian.f90 b/src/hesian.f90 index 24b367f0..1f0fa9ea 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 @@ -37,6 +37,8 @@ subroutine hesian( NGdof, position, Mvol, mn, LGdof ) Lhessian3Dallocated,denergydrr, denergydrz,denergydzr,denergydzz, & LocalConstraint + use sphdf5, only : write_stability + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! LOCALS @@ -90,6 +92,11 @@ 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; @@ -229,7 +236,7 @@ subroutine hesian( NGdof, position, Mvol, mn, LGdof ) !if (LHmatrix) then Lhessian3Dallocated = .true. !else - ! Lhessianallocated = .true. + Lhessianallocated = .true. !endif !This step cleared. @@ -416,16 +423,16 @@ subroutine hesian( NGdof, position, Mvol, mn, LGdof ) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - if( LHmatrix ) then - - if( myid.eq.0 ) then ; cput = GETTIME ; write(ounit,'("hesian : ",f10.2," : LHmatrix="L2" ;")')cput-cpus, LHmatrix ; - open(munit, file=trim(get_hidden(ext))//".GF.ma", status="unknown", form="unformatted") - write(munit) NGdof - write(munit) ohessian(1:NGdof,1:NGdof) - close(munit) - endif - - endif +! if( LHmatrix ) then +! +! if( myid.eq.0 ) then ; cput = GETTIME ; write(ounit,'("hesian : ",f10.2," : LHmatrix="L2" ;")')cput-cpus, LHmatrix ; +! open(munit, file=trim(get_hidden(ext))//".GF.ma", status="unknown", form="unformatted") +! write(munit) NGdof +! write(munit) ohessian(1:NGdof,1:NGdof) +! close(munit) +! endif +! +! endif ! if( myid.eq.0 .and. ( LHevalues .or. LHevectors ) ) then ! the call to dforce below requires all cpus; 04 Dec 14; @@ -572,19 +579,22 @@ subroutine hesian( NGdof, position, Mvol, mn, LGdof ) !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! - - if( myid.eq.0 ) then ! write to file; 04 Dec 14; - open(hunit, file=trim(get_hidden(ext))//".GF.ev", status="unknown", form="unformatted") - write(hunit) NGdof, Ldvr, Ldvi - write(hunit) evalr - write(hunit) evali - write(hunit) evecr - write(hunit) eveci - close(hunit) - endif ! end of if( myid.eq.0 ) ; 04 Dec 14; +! if( myid.eq.0 ) then ! write to file; 04 Dec 14; +! open(hunit, file=trim(get_hidden(ext))//".GF.ev", status="unknown", form="unformatted") +! write(hunit) NGdof, Ldvr, Ldvi +! write(hunit) evalr +! write(hunit) evali +! write(hunit) evecr +! write(hunit) eveci +! close(hunit) +! endif ! end of if( myid.eq.0 ) ; 04 Dec 14; endif ! end of if( ( LHevalues .or. LHevectors ) ) + ! output hessian, eigenvalues, and eigenvectors to the .h5 file + if( LHmatrix .and. Lconstraint.eq.2) then + WCALL( hesian, write_stability, (ohessian, evalr, evali, evecr, NGdof) ) + endif !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! if( myid.eq.0 .and. Lperturbed.eq.1 ) then diff --git a/src/newton.f90 b/src/newton.f90 index 034b4210..cd79da3b 100644 --- a/src/newton.f90 +++ b/src/newton.f90 @@ -97,7 +97,7 @@ subroutine newton( NGdof, position, ihybrd ) INTEGER :: ML, MU ! required for only Lc05ndf; - LOGICAL :: Lexit = .true. ! perhaps this could be made user input; + LOGICAL :: Lexit = .false. ! if false, hessian is printed even with initial force balance LOGICAL :: LComputeAxis INTEGER :: nprint = 1, nfev, njev diff --git a/src/preset.f90 b/src/preset.f90 index b29c5d8d..e3a6102a 100644 --- a/src/preset.f90 +++ b/src/preset.f90 @@ -507,9 +507,15 @@ subroutine preset SALLOCATE( dtflux, (1:Mvol), zero ) SALLOCATE( dpflux, (1:Mvol), zero ) + + ! with Igeom=1, Lcons=3, need to provide total pflux + if(Lconstraint.eq.3 .and. Igeometry.eq.1) then + total_pflux = pflux(Mvol) * phiedge / pi2 + pflux(Mvol) = 0 + endif select case( Igeometry ) - case( 1 ) ; dtflux(1) = tflux(1) ; dpflux(1) = pflux(1) ! Cartesian ; this is the "inverse" operation defined in xspech; 09 Mar 17; + case( 1 ) ; dtflux(1) = tflux(1) ; dpflux(1) = pflux(1) ! Cartesian ; this is the "inverse" operation defined in xspech; 09 Mar 17; case( 2:3 ) ; dtflux(1) = tflux(1) ; dpflux(1) = zero ! cylindrical or toroidal; end select @@ -807,7 +813,12 @@ subroutine preset if( Lfreebound.eq.1 ) then SALLOCATE( IPDtDpf, (1:Mvol , 1:Mvol ), zero) else - SALLOCATE( IPDtDpf, (1:Mvol-1, 1:Mvol-1), zero) + if(Igeometry.eq.1) then + ! add an additional constraint to make the total pflux = 0 + SALLOCATE( IPDtDpf, (1:Mvol, 1:Mvol), zero) + else + SALLOCATE( IPDtDpf, (1:Mvol-1, 1:Mvol-1), zero) + endif endif SALLOCATE( cheby, (0:Mrad,0:2), zero ) diff --git a/src/sphdf5.f90 b/src/sphdf5.f90 index 455fdcdc..f6c833bf 100644 --- a/src/sphdf5.f90 +++ b/src/sphdf5.f90 @@ -45,6 +45,7 @@ module sphdf5 integer(hid_t) :: dt_nDcalls_id !< Memory datatype identifier (for "nDcalls" dataset in "/iterations") integer(hid_t) :: dt_Energy_id !< Memory datatype identifier (for "Energy" dataset in "/iterations") integer(hid_t) :: dt_ForceErr_id !< Memory datatype identifier (for "ForceErr" dataset in "/iterations") + integer(hid_t) :: dt_BetaTotal_id !< Memory datatype identifier (for "ForceErr" dataset in "/iterations") integer(hid_t) :: dt_iRbc_id !< Memory datatype identifier (for "iRbc" dataset in "/iterations") integer(hid_t) :: dt_iZbs_id !< Memory datatype identifier (for "iZbs" dataset in "/iterations") integer(hid_t) :: dt_iRbs_id !< Memory datatype identifier (for "iRbs" dataset in "/iterations") @@ -480,6 +481,7 @@ subroutine init_convergence_output H5CALL( sphdf5, h5tcreate_f, (H5T_COMPOUND_F, type_size_i, dt_nDcalls_id, hdfier) ) H5CALL( sphdf5, h5tcreate_f, (H5T_COMPOUND_F, type_size_d, dt_Energy_id, hdfier) ) H5CALL( sphdf5, h5tcreate_f, (H5T_COMPOUND_F, type_size_d, dt_ForceErr_id, hdfier) ) + H5CALL( sphdf5, h5tcreate_f, (H5T_COMPOUND_F, type_size_d, dt_BetaTotal_id, hdfier) ) H5CALL( sphdf5, h5tcreate_f, (H5T_COMPOUND_F, irbc_size, dt_iRbc_id, hdfier) ) H5CALL( sphdf5, h5tcreate_f, (H5T_COMPOUND_F, irbc_size, dt_iZbs_id, hdfier) ) H5CALL( sphdf5, h5tcreate_f, (H5T_COMPOUND_F, irbc_size, dt_iRbs_id, hdfier) ) @@ -488,6 +490,7 @@ subroutine init_convergence_output H5CALL( sphdf5, h5tinsert_f, (dt_nDcalls_id, "nDcalls", offset, H5T_NATIVE_INTEGER, hdfier) ) H5CALL( sphdf5, h5tinsert_f, (dt_Energy_id, "Energy", offset, H5T_NATIVE_DOUBLE, hdfier) ) H5CALL( sphdf5, h5tinsert_f, (dt_ForceErr_id, "ForceErr", offset, H5T_NATIVE_DOUBLE, hdfier) ) + H5CALL( sphdf5, h5tinsert_f, (dt_BetaTotal_id, "BetaTotal", offset, H5T_NATIVE_DOUBLE, hdfier) ) H5CALL( sphdf5, h5tinsert_f, (dt_iRbc_id, "iRbc", offset, iRZbscArray_id, hdfier) ) H5CALL( sphdf5, h5tinsert_f, (dt_iZbs_id, "iZbs", offset, iRZbscArray_id, hdfier) ) H5CALL( sphdf5, h5tinsert_f, (dt_iRbs_id, "iRbs", offset, iRZbscArray_id, hdfier) ) @@ -513,7 +516,7 @@ end subroutine init_convergence_output !> @param[in] ForceErr total force-imbalance (accessible from allglobal) subroutine write_convergence_output( nDcalls, ForceErr ) - use allglobal, only : myid, mn, Mvol, Energy, iRbc, iZbs, iRbs, iZbc + use allglobal, only : myid, mn, Mvol, Energy, iRbc, iZbs, iRbs, iZbc, BetaTotal LOCALS INTEGER, intent(in) :: nDcalls @@ -546,6 +549,8 @@ subroutine write_convergence_output( nDcalls, ForceErr ) H5CALL( sphdf5, h5dwrite_f, (iteration_dset_id, dt_Energy_id, Energy, INT((/1/), HSIZE_T), hdfier, & & mem_space_id=memspace, file_space_id=dataspace, xfer_prp=plist_id), __FILE__, __LINE__) H5CALL( sphdf5, h5dwrite_f, (iteration_dset_id, dt_ForceErr_id, ForceErr, INT((/1/), HSIZE_T), hdfier, & + & mem_space_id=memspace, file_space_id=dataspace, xfer_prp=plist_id), __FILE__, __LINE__) + H5CALL( sphdf5, h5dwrite_f, (iteration_dset_id, dt_BetaTotal_id, BetaTotal, INT((/1/), HSIZE_T), hdfier, & & mem_space_id=memspace, file_space_id=dataspace, xfer_prp=plist_id), __FILE__, __LINE__) H5CALL( sphdf5, h5dwrite_f, (iteration_dset_id, dt_iRbc_id, iRbc, INT((/mn,Mvol+1/), HSIZE_T), hdfier, & & mem_space_id=memspace, file_space_id=dataspace, xfer_prp=plist_id), __FILE__, __LINE__) @@ -979,12 +984,50 @@ end subroutine write_vector_potential !> \brief Write the final state of the equilibrium to the output file. !> \ingroup grp_output !> + +subroutine write_stability(ohessian, evalr, evali, evecr, NGdof) + + use inputlist, only : LHevalues, LHevectors, LHmatrix + + LOCALS + integer, intent(in) :: NGdof + REAL, intent(in) :: ohessian(:,:), evalr(:), evali(:), evecr(:,:) + integer(hid_t) :: grpStability + + BEGIN( sphdf5 ) + + if (.not.LHevalues .and. .not.LHevectors .and. .not.LHmatrix) return + + if (myid.eq.0 .and. .not.skip_write) then + + HDEFGRP( file_id, stability, grpStability) + + if (LHmatrix) then + HWRITERA( grpStability, NGdof, NGdof, ohessian, ohessian(1:NGdof,1:NGdof) ) + endif + + if (LHevectors) then + HWRITERA( grpStability, NGdof, NGdof, evecr, evecr(1:NGdof,1:NGdof) ) + endif + + if (LHevalues) then + HWRITERV( grpStability, NGdof, evalr, evalr(1:NGdof) ) + HWRITERV( grpStability, NGdof, evali, evali(1:NGdof) ) + endif + + HCLOSEGRP( grpStability ) + + endif ! myid.eq.0 + +end subroutine write_stability + + subroutine hdfint use fileunits, only : ounit use inputlist use allglobal, only : ncpu, cpus, & - Mvol, ForceErr, BnsErr,& + Mvol, ForceErr, BnsErr, BetaTotal, & mn, im, in, iRbc, iZbs, iRbs, iZbc, & mns, ims, ins, & dRbc, dZbs, dRbs, dZbc, & @@ -1048,6 +1091,8 @@ subroutine hdfint HWRITERV( grpOutput, 1, BnsErr, (/ BnsErr /)) ! already in /input/global !latex \type{ForceErr} & real & \pb{force-balance error across interfaces} \\ HWRITERV( grpOutput, 1, ForceErr, (/ ForceErr /)) + !latex \type{BetaTotal} & real & \pb{Total plasma beta} \\ + HWRITERV( grpOutput, 1, BetaTotal, (/ BetaTotal /)) !latex \type{Ivolume} & real & \pb{Volume current at output (parallel, externally induced)} HWRITERV( grpOutput, Mvol, Ivolume, Ivolume(1:Mvol)) !latex \type{IPDt} & real & \pb{Surface current at output} @@ -1152,6 +1197,7 @@ subroutine finish_outfile H5CALL( sphdf5, h5tclose_f, (dt_nDcalls_id, hdfier) , __FILE__, __LINE__) H5CALL( sphdf5, h5tclose_f, (dt_Energy_id, hdfier) , __FILE__, __LINE__) H5CALL( sphdf5, h5tclose_f, (dt_ForceErr_id, hdfier) , __FILE__, __LINE__) + H5CALL( sphdf5, h5tclose_f, (dt_BetaTotal_id, hdfier) , __FILE__, __LINE__) H5CALL( sphdf5, h5tclose_f, (dt_iRbc_id, hdfier) , __FILE__, __LINE__) H5CALL( sphdf5, h5tclose_f, (dt_iZbs_id, hdfier) , __FILE__, __LINE__) H5CALL( sphdf5, h5tclose_f, (dt_iRbs_id, hdfier) , __FILE__, __LINE__) diff --git a/src/volume.f90 b/src/volume.f90 index 9cca6819..f7ce6a62 100644 --- a/src/volume.f90 +++ b/src/volume.f90 @@ -44,7 +44,7 @@ subroutine volume( lvol, vflag ) use fileunits, only : ounit - use inputlist, only : Wvolume, Igeometry, Nvol, pscale + use inputlist, only : Wvolume, Igeometry, Nvol, pscale, rpol, rtor use cputiming @@ -125,6 +125,9 @@ subroutine volume( lvol, vflag ) if( dBdX%issym.eq.0 ) dvolume = one ! note that the sign factor for the lower interface is included below; 20 Jun 14; endif + ! respecting rpol, rtor sizes of slab + vol(innout) = vol(innout) * rpol * rtor + !-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-!-! case( 2 ) !>
  • \c Igeometry.eq.2 : cylindrical : \f$\sqrt g = R R_s = \frac{1}{2}\partial_s (R^2)\f$ From 5615d7d9fc2683c4722594395abb9b604173a2cc Mon Sep 17 00:00:00 2001 From: ErolBa Date: Thu, 12 Dec 2024 19:50:49 +0100 Subject: [PATCH 2/6] added a test for G=1 Lcons=3 --- .../G1V03L0Fi.sp} | 0 ci/{G1V03L2Fi => G1V03L0Fi}/compare.h5 | Bin ci/G1V03L3Fi/G1V03L3Fi.sp | 109 ++++++++++++++++++ ci/G1V03L3Fi/compare.h5 | Bin 0 -> 464736 bytes 4 files changed, 109 insertions(+) rename ci/{G1V03L2Fi/G1V03L2Fi.001.sp => G1V03L0Fi/G1V03L0Fi.sp} (100%) rename ci/{G1V03L2Fi => G1V03L0Fi}/compare.h5 (100%) create mode 100644 ci/G1V03L3Fi/G1V03L3Fi.sp create mode 100644 ci/G1V03L3Fi/compare.h5 diff --git a/ci/G1V03L2Fi/G1V03L2Fi.001.sp b/ci/G1V03L0Fi/G1V03L0Fi.sp similarity index 100% rename from ci/G1V03L2Fi/G1V03L2Fi.001.sp rename to ci/G1V03L0Fi/G1V03L0Fi.sp diff --git a/ci/G1V03L2Fi/compare.h5 b/ci/G1V03L0Fi/compare.h5 similarity index 100% rename from ci/G1V03L2Fi/compare.h5 rename to ci/G1V03L0Fi/compare.h5 diff --git a/ci/G1V03L3Fi/G1V03L3Fi.sp b/ci/G1V03L3Fi/G1V03L3Fi.sp new file mode 100644 index 00000000..93958d56 --- /dev/null +++ b/ci/G1V03L3Fi/G1V03L3Fi.sp @@ -0,0 +1,109 @@ +&physicslist + Igeometry = 1 + Istellsym = 1 + Lfreebound = 0 + phiedge = 1.000000000000000E+00 + curtor = 0.000000000000000E+00 + curpol = 0.000000000000000E+00 + gamma = 0.000000000000000E+00 + Nfp = 1 + Nvol = 3 + Mpol = 1 + Ntor = 0 + Lrad = 12 12 12 + tflux = 4.000000000000000E-01 6.000000000000001E-01 1.000000000000000E+00 + pflux = -4.000000000000001E-02 -4.000000000000001E-02 0.000000000000000E+00 + helicity = -8.673617379884035E-19 1.331565149512061E-03 1.734723475976807E-18 + pscale = 0.000000000000000E+00 + Ladiabatic = 0 + pressure = 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 + adiabatic = 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 + mu = 0.000000000000000E+00 1.000000000000000E-01 0.000000000000000E+00 + Lconstraint = 3 + pl = 0 0 0 0 + ql = 0 0 0 0 + pr = 0 0 0 0 + qr = 0 0 0 0 + iota = -1.618000000000000E+00 -1.016882954640000E+00 -6.188295464000000E-01 6.188295464000000E-01 + lp = 81 81 81 81 + lq = 0 0 0 0 + rp = 0 0 0 0 + rq = 0 0 0 0 + oita = -1.618000000000000E+00 -1.016882954640000E+00 -6.188295464000000E-01 6.188295464000000E-01 + mupftol = 1.000000000000000E-16 + mupfits = 8 + Rac = 0.000000000000000E+00 + Zas = 0.000000000000000E+00 + Ras = 0.000000000000000E+00 + Zac = 0.000000000000000E+00 +Rbc(0,0) = 1.000000000000000E+01 Zbs(0,0) = 0.000000000000000E+00 Rbs(0,0) = 0.000000000000000E+00 Zbc(0,0) = 0.000000000000000E+00 +Rbc(0,1) = 0.000000000000000E+00 Zbs(0,1) = 0.000000000000000E+00 Rbs(0,1) = 0.000000000000000E+00 Zbc(0,1) = 0.000000000000000E+00 +Rbc(0,2) = 0.000000000000000E+00 Zbs(0,2) = 0.000000000000000E+00 Rbs(0,2) = 0.000000000000000E+00 Zbc(0,2) = 0.000000000000000E+00 +Rwc(0,0) = 0.000000000000000E+00 Zws(0,0) = 0.000000000000000E+00 Rws(0,0) = 0.000000000000000E+00 Zwc(0,0) = 0.000000000000000E+00 +Rwc(0,1) = 0.000000000000000E+00 Zws(0,1) = 0.000000000000000E+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 +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) = 0.000000000000000E+00 Bns(0,1) = 0.000000000000000E+00 Vnc(0,1) = 0.000000000000000E+00 Bnc(0,1) = 0.000000000000000E+00 +Vns(0,2) = 0.000000000000000E+00 Bns(0,2) = 0.000000000000000E+00 Vnc(0,2) = 0.000000000000000E+00 Bnc(0,2) = 0.000000000000000E+00 +/ +&numericlist + Linitialize = 1 + Lzerovac = 0 + Ndiscrete = 2 + Nquad = -1 + iMpol = -4 + iNtor = -4 + Lsparse = 0 + Lsvdiota = 0 + imethod = 3 + iorder = 2 + iprecon = 1 + iotatol = -1.000000000000000E+00 + Lextrap = 0 + Mregular = -1 +/ +&locallist + LBeltrami = 4 + Linitgues = 1 +/ +&globallist + Lfindzero = 2 + escale = 0.000000000000000E+00 + opsilon = 1.000000000000000E+00 + pcondense = 2.000000000000000E+00 + epsilon = 0.000000000000000E+00 + wpoloidal = 1.000000000000000E+00 + upsilon = 1.000000000000000E+00 + forcetol = 1.000000000000000E-12 + c05xmax = 1.000000000000000E-06 + c05xtol = 1.000000000000000E-10 + c05factor = 1.000000000000000E-02 + LreadGF = F + mfreeits = 0 + gBntol = 1.000000000000000E-06 + gBnbld = 6.660000000000000E-01 + vcasingeps = 1.000000000000000E-12 + vcasingtol = 1.000000000000000E-08 + vcasingits = 8 + vcasingper = 1 +/ +&diagnosticslist + odetol = 1.000000000000000E-07 + nPpts = 500 + nPtrj = 5 10 5 + LHevalues = F + LHevectors = F + LHmatrix = T + Lperturbed = 0 + dpp = -1 + dqq = -1 + Lcheck = 1 + Ltiming = F +/ +&screenlist + Wpp00aa = T + Whesian = T +/ + 0 0 4.002650778313936E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 5.997349221686633E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 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zEJ;71dk{!IPbuK;m|i!_{J!70;+wg3{`xGtUbT!j^keTlN$a*Db#>L;BkC%3JSyHaMWGdETHS4(rH)7S zalu31J~ejy`h_*Z!CdW7#gSYW)%sAE#*WuVN3Z8NUwG(|jG69<%VWuL#Y5ML#*VL- z701^P669`4DZZVl=6N%iPRKkp{CJOBCjkHX1rRkO+d)Ro;T&9_E!eWZ%V!Wy#% z;o-cv8EH-Mh;eASzEz;MXVix|9@6j2)T0_Z?~BPY|4gSm;EmO^UlkXg33MF`?$-{x2&mqyvNh3`uH91ykqaR z|GlZJtI{4(S4zC-rdjUY(GrVpx?b8QmfvJD%gQB6yIk_i%FXl3q&@xzGiNxN6Q`Ny zPnl*OpD1yP^vAY0wzAT)u9#VQ{dD)98GrQjs^Y?#RmJWgv958k@op}kZjGBT#=YWQ z@eO6g(~7Ig%;=U?I(#${PMbcXsBYNoVJoKajp?S^8dVp%f;g!);(C2g; ze>cS3I`8!gsW)AzX1t!}^%f3)FOPZfh#_n_?pf9&c$oLOK31N2`K@Jt^?o0jAbDH& zdFSQH!rVH*`+crJ@^Z4h^USB2*k9%Oi}!YI*}rw~dFM&m=N3}uou_(4U8RmkBRpbN z+~S=*@My)usxv0&Y46jmzrRU-pEl}h>F?~{+X)Dtf>tg}K8`7E^|;@S_WYs8eHuG| z95+?wpV?|k$@6!PYP;^%aULE0J?fde%+50W?a z3*LD-k~g8hcV4dKRh;6TH%~a_9Zc=<$Y*_dlIzMG38rP33F`Of8vDz@+SaK3onMEg zvJRICS+k+!`kVY&r`D;w_IRjob>14=?(eLZGv}L%nc8X|CoYdtc*H89 zTHhVki+Nw_75}@rSx3FS|Cp}sBi?zLV#TIR@An(EW77xTC@w#hBuB(8% zt8M?@ucOD&k1a5@*fWl!9jz=_ Date: Thu, 12 Dec 2024 19:58:44 +0100 Subject: [PATCH 3/6] small test bugfix --- .gitlab-ci.yml | 29 ++++++++++++++++++++++++----- 1 file changed, 24 insertions(+), 5 deletions(-) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 94d8c6b5..0aca183c 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -31,19 +31,38 @@ stable_force_free_sheet: image: csmiet/testspec script: - source source.sh - - cd ci/G1V03L2Fi - - xspec G1V03L2Fi.001.sp - - python3 -m py_spec.ci.test compare.h5 G1V03L2Fi.001.sp.h5 + - cd ci/G1V03L0Fi + - xspec G1V03L0Fi.sp + - python3 -m py_spec.ci.test compare.h5 G1V03L0Fi.sp.h5 #comparison python3 -m py_spec.ci.testspec f1 f2 artifacts: when: always paths: - - ci/G1V03L2Fi/G1V03L2Fi.001.sp.h5 + - ci/G1V03L0Fi/G1V03L0Fi.sp.h5 expire_in: 1 week dependencies: - build:centos7 # reproduce: -# docker run -v `pwd`:`pwd` -w `pwd` csmiet/testspec sh -c 'source ./source.sh;cd ci/G1V03L2Fi; xspec G1V03L2Fi.001.sp; python3 -m py_spec.ci.test compare.h5 G1V03L2Fi.001.sp.h5' +# docker run -v `pwd`:`pwd` -w `pwd` csmiet/testspec sh -c 'source ./source.sh;cd ci/G1V03L0Fi; xspec G1V03L0Fi.sp; python3 -m py_spec.ci.test compare.h5 G1V03L0Fi.sp.h5' + +stable_force_free_sheet_lcons3: + stage: test + image: csmiet/testspec + script: + - source source.sh + - cd ci/G1V03L3Fi + - xspec G1V03L3Fi.sp + - python3 -m py_spec.ci.test compare.h5 G1V03L3Fi.sp.h5 + #comparison python3 -m py_spec.ci.testspec f1 f2 + artifacts: + when: always + paths: + - ci/G1V03L3Fi/G1V03L3Fi.sp.h5 + expire_in: 1 week + dependencies: + - build:centos7 +# reproduce: +# docker run -v `pwd`:`pwd` -w `pwd` csmiet/testspec sh -c 'source ./source.sh;cd ci/G1V03L3Fi; xspec G1V03L3Fi.sp; python3 -m py_spec.ci.test compare.h5 G1V03L3Fi.sp.h5' cylindrical_many_volumes: stage: test From 291d58a88861cd56a579a93f2bfd45e6f766ae61 Mon Sep 17 00:00:00 2001 From: ErolBa Date: Thu, 12 Dec 2024 20:05:06 +0100 Subject: [PATCH 4/6] more test fixes --- .github/workflows/build.yml | 12 +++++++++--- .github/workflows/build_cmake.yml | 12 +++++++++--- 2 files changed, 18 insertions(+), 6 deletions(-) diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml index d6b8fb7a..2dd748a1 100644 --- a/.github/workflows/build.yml +++ b/.github/workflows/build.yml @@ -33,10 +33,16 @@ jobs: make BUILD_ENV=gfortran_ubuntu dspec - name: run_fast_cartesian run: | - cd ${SPEC_PATH}/ci/G1V03L2Fi + cd ${SPEC_PATH}/ci/G1V03L0Fi export OMP_NUM_THREADS=1 - mpiexec -n 2 --allow-run-as-root ${SPEC_PATH}/xspec G1V03L2Fi.001.sp - python3 -m py_spec.ci.test compare.h5 G1V03L2Fi.001.sp.h5 + mpiexec -n 2 --allow-run-as-root ${SPEC_PATH}/xspec G1V03L0Fi.sp + python3 -m py_spec.ci.test compare.h5 G1V03L0Fi.sp.h5 + - name: run_fast_cartesian_lcons3 + run: | + cd ${SPEC_PATH}/ci/G1V03L3Fi + export OMP_NUM_THREADS=1 + mpiexec -n 2 --allow-run-as-root ${SPEC_PATH}/xspec G1V03L3Fi.sp + python3 -m py_spec.ci.test compare.h5 G1V03L3Fi.sp.h5 - name: run_fast_cylinder run: | cd ${SPEC_PATH}/ci/G2V32L1Fi diff --git a/.github/workflows/build_cmake.yml b/.github/workflows/build_cmake.yml index 3ea86651..60496cd5 100644 --- a/.github/workflows/build_cmake.yml +++ b/.github/workflows/build_cmake.yml @@ -39,10 +39,16 @@ jobs: # cmake --install . - name: run_fast_cartesian run: | - cd ${SPEC_PATH}/ci/G1V03L2Fi + cd ${SPEC_PATH}/ci/G1V03L0Fi export OMP_NUM_THREADS=1 - mpiexec -n 2 --allow-run-as-root $SPEC_PATH/install/bin/xspec G1V03L2Fi.001.sp - python3 -m py_spec.ci.test compare.h5 G1V03L2Fi.001.sp.h5 + mpiexec -n 2 --allow-run-as-root $SPEC_PATH/install/bin/xspec G1V03L0Fi.sp + python3 -m py_spec.ci.test compare.h5 G1V03L0Fi.sp.h5 + - name: run_fast_cartesian_lcons3 + run: | + cd ${SPEC_PATH}/ci/G1V03L3Fi + export OMP_NUM_THREADS=1 + mpiexec -n 2 --allow-run-as-root $SPEC_PATH/install/bin/xspec G1V03L3Fi.sp + python3 -m py_spec.ci.test compare.h5 G1V03L3Fi.sp.h5 - name: run_fast_cylinder run: | cd ${SPEC_PATH}/ci/G2V32L1Fi From 95174fa946c027247d980b0f1259ca36479cd3bd Mon Sep 17 00:00:00 2001 From: ErolBa Date: Wed, 18 Dec 2024 09:23:20 +0100 Subject: [PATCH 5/6] Addressing Chris' comments --- .gitlab-ci.yml | 140 ------------------------------------------------- src/dforce.f90 | 6 +++ src/hesian.f90 | 3 +- 3 files changed, 8 insertions(+), 141 deletions(-) delete mode 100644 .gitlab-ci.yml diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml deleted file mode 100644 index 0aca183c..00000000 --- a/.gitlab-ci.yml +++ /dev/null @@ -1,140 +0,0 @@ -stages: - - lint - - build - - test - -checkbadchars: - stage: lint - script: > - test $(grep -caxv '.*' *.f *.f90 *.h README* | - cut -d: -f2 | awk '{ SUM += $1} END { print SUM }') -eq 0 - -enforce_unixish: - stage: lint - script: test $(file -k *.f *.f90 *.h | grep -c "CRLF") -eq 0 - -build:centos7: - stage: build - image: csmiet/testspec - script: - - make CC=gfortran xspec - artifacts: - paths: - - xspec - expire_in: 1 week - -# do it yourself: -# docker run -v `pwd`:`pwd` -w `pwd` csmiet/testspec make CC=gfortran xspec - -stable_force_free_sheet: - stage: test - image: csmiet/testspec - script: - - source source.sh - - cd ci/G1V03L0Fi - - xspec G1V03L0Fi.sp - - python3 -m py_spec.ci.test compare.h5 G1V03L0Fi.sp.h5 - #comparison python3 -m py_spec.ci.testspec f1 f2 - artifacts: - when: always - paths: - - ci/G1V03L0Fi/G1V03L0Fi.sp.h5 - expire_in: 1 week - dependencies: - - build:centos7 -# reproduce: -# docker run -v `pwd`:`pwd` -w `pwd` csmiet/testspec sh -c 'source ./source.sh;cd ci/G1V03L0Fi; xspec G1V03L0Fi.sp; python3 -m py_spec.ci.test compare.h5 G1V03L0Fi.sp.h5' - -stable_force_free_sheet_lcons3: - stage: test - image: csmiet/testspec - script: - - source source.sh - - cd ci/G1V03L3Fi - - xspec G1V03L3Fi.sp - - python3 -m py_spec.ci.test compare.h5 G1V03L3Fi.sp.h5 - #comparison python3 -m py_spec.ci.testspec f1 f2 - artifacts: - when: always - paths: - - ci/G1V03L3Fi/G1V03L3Fi.sp.h5 - expire_in: 1 week - dependencies: - - build:centos7 -# reproduce: -# docker run -v `pwd`:`pwd` -w `pwd` csmiet/testspec sh -c 'source ./source.sh;cd ci/G1V03L3Fi; xspec G1V03L3Fi.sp; python3 -m py_spec.ci.test compare.h5 G1V03L3Fi.sp.h5' - -cylindrical_many_volumes: - stage: test - image: csmiet/testspec - script: - - source source.sh - - cd ci/G2V32L1Fi - - xspec G2V32L1Fi.001.sp - - python3 -m py_spec.ci.test compare.h5 G2V32L1Fi.001.sp.h5 - artifacts: - when: always - paths: - - ci/G2V32L1Fi/G2V32L1Fi.001.sp.h5 - expire_in: 1 week - dependencies: - - build:centos7 -# reproduce: -# docker run -v `pwd`:`pwd` -w `pwd` csmiet/testspec sh -c 'source ./source.sh; cd ci/G2V32L1Fi; xspec G2V32L1Fi.001.sp; python3 -m py_spec.ci.test compare.h5 G2V32L1Fi.001.sp.h5 ' - -toroidal_freeboundary_vacuum: - stage: test - image: csmiet/testspec - script: - - source source.sh - - cd ci/toroidal_freeboundary_vacuum - - mpirun -n 4 --allow-run-as-root xspec G3V02L0Fr.sp - - python3 -m py_spec.ci.test compare.h5 G3V02L0Fr.sp.h5 --tol 1e-10 - artifacts: - when: always - paths: - - ci/toroidal_freeboundary_vacuum/G3V02L0Fr.sp.h5 - expire_in: 1 week - dependencies: - - build:centos7 -# reproduce: -# docker run -v `pwd`:`pwd` -w `pwd` csmiet/testspec sh -c 'source ./source.sh; cd ci/toroidal_freeboundary_vacuum; mpirun -n 4 --allow-run-as-root xspec G3V02L0Fr.sp; python3 -m py_spec.ci.test compare.h5 G3V02L0Fr.sp.h5' -# -# -CurrentConstraint_fixed: - stage: test - image: csmiet/testspec - script: - - source source.sh - - cd ci/G3V08L3Fi - - mpirun -n 4 --allow-run-as-root xspec G3V08L3Fi.001.sp - - python3 -m py_spec.ci.test compare.h5 G3V08L3Fi.001.sp.h5 --tol 1e-10 - artifacts: - when: always - paths: - - ci/G3V08L3Fi/G3V08L3Fi.001.sp.h5 - expire_in: 1 week - dependencies: - - build:centos7 -# reproduce: -# docker run -v `pwd`:`pwd` -w `pwd` csmiet/testspec sh -c 'source ./source.sh; cd ci/G3V08L3Fi; mpirun -n 4 --allow-run-as-root xspec G3V08L3Fi.001.sp; python3 -m py_spec.ci.test compare.h5 G3V08L3Fi.001.sp.h5' -# - - -CurrentConstraint_free: - stage: test - image: csmiet/testspec - script: - - 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 --tol 1e-10 - artifacts: - when: always - paths: - - ci/G3V08L3Fr/G3V08L3Fr.001.sp.h5 - expire_in: 1 week - dependencies: - - 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' diff --git a/src/dforce.f90 b/src/dforce.f90 index 746513cb..3228b0a3 100644 --- a/src/dforce.f90 +++ b/src/dforce.f90 @@ -78,6 +78,12 @@ !> information is then broadcasted to the MPI node \f$0\f$ in dforce() and the global force is evaluated.
    • !> !> +!> **prints out the force gradient matrix .hessian** +!> +!> +!> !> **construct derivatives of matrix equation** !> !>