avoid depenencies on global state

requires on extra forward FFT pre iteration for basic scheme

src/grid/grid_mech_spectral_basic.f90

@@ -536,6 +536,7 @@ subroutine formResidual(in, F, &
                                       F,params%Delta_t,params%rotation_BC)
   call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,err_MPI)
   if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
+  err_div = utilities_divergenceRMS(r)
 
 !--------------------------------------------------------------------------------------------------
 ! stress BC handling
@@ -547,7 +548,6 @@ subroutine formResidual(in, F, &
 ! updated deformation gradient using fix point algorithm of basic scheme
   tensorField_real(1:3,1:3,1:cells(1),1:cells(2),1:cells3) = r                                      ! store fPK field for subsequent FFT forward transform
   call utilities_FFTtensorForward                                                                   ! FFT forward of global "tensorField_real"
-  err_div = utilities_divergenceRMS()                                                               ! divRMS of tensorField_fourier for later use
   call utilities_fourierGammaConvolution(params%rotation_BC%rotate(deltaF_aim,active=.true.))       ! convolution of Gamma and tensorField_fourier
   call utilities_FFTtensorBackward                                                                  ! FFT backward of global tensorField_fourier
 

src/grid/grid_mech_spectral_polarisation.f90

@@ -634,6 +634,8 @@ subroutine formResidual(in, FandF_tau, &
                                       P_av,C_volAvg,C_minMaxAvg, &
                                       F - r_F_tau/num%beta,params%Delta_t,params%rotation_BC)
   call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,err_MPI)
+  err_div = utilities_divergenceRMS(r_F)
+  err_curl = utilities_curlRMS(F)
 
 !--------------------------------------------------------------------------------------------------
 ! stress BC handling
@@ -641,10 +643,6 @@ subroutine formResidual(in, FandF_tau, &
   err_BC = maxval(abs(merge(math_mul3333xx33(C_scale,F_aim-params%rotation_BC%rotate(F_av)), &
                             P_av-P_aim, &
                             params%stress_mask)))
-! calculate divergence
-  tensorField_real(1:3,1:3,1:cells(1),1:cells(2),1:cells3) = r_F                                    !< stress field in disguise
-  call utilities_FFTtensorForward
-  err_div = utilities_divergenceRMS()                                                               !< root mean squared error in divergence of stress
 
 !--------------------------------------------------------------------------------------------------
 ! constructing residual
@@ -658,12 +656,6 @@ subroutine formResidual(in, FandF_tau, &
                        + r_F_tau(1:3,1:3,i,j,k)
   end do; end do; end do
 
-!--------------------------------------------------------------------------------------------------
-! calculating curl
-  tensorField_real(1:3,1:3,1:cells(1),1:cells(2),1:cells3) = F
-  call utilities_FFTtensorForward
-  err_curl = utilities_curlRMS()
-
 end subroutine formResidual
 
 end module grid_mechanical_spectral_polarisation

src/grid/spectral_utilities.f90

@@ -616,9 +616,11 @@ end subroutine utilities_fourierGreenConvolution
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief calculate root mean square of divergence of field_fourier
+!> @brief Calculate root mean square of divergence.
 !--------------------------------------------------------------------------------------------------
-real(pReal) function utilities_divergenceRMS()
+real(pReal) function utilities_divergenceRMS(tensorField)
+
+  real(pReal), dimension(3,3,cells(1),cells(2),cells3), intent(in) :: tensorField
 
   integer :: i, j, k
   integer(MPI_INTEGER_KIND) :: err_MPI
@@ -628,6 +630,9 @@ real(pReal) function utilities_divergenceRMS()
   print'(/,1x,a)', '... calculating divergence ................................................'
   flush(IO_STDOUT)
 
+  tensorField_real(1:3,1:3,1:cells(1),1:cells(2),1:cells3) = tensorField
+  call utilities_FFTtensorforward()
+
   rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pReal,pReal)
 
 !--------------------------------------------------------------------------------------------------
@@ -660,9 +665,11 @@ end function utilities_divergenceRMS
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief calculate max of curl of field_fourier
+!> @brief Calculate root mean square of curl.
 !--------------------------------------------------------------------------------------------------
-real(pReal) function utilities_curlRMS()
+real(pReal) function utilities_curlRMS(tensorField)
+
+  real(pReal), dimension(3,3,cells(1),cells(2),cells3), intent(in) :: tensorField
 
   integer  ::  i, j, k, l
   integer(MPI_INTEGER_KIND) :: err_MPI
@@ -673,6 +680,9 @@ real(pReal) function utilities_curlRMS()
   print'(/,1x,a)', '... calculating curl ......................................................'
   flush(IO_STDOUT)
 
+  tensorField_real(1:3,1:3,1:cells(1),1:cells(2),1:cells3) = tensorField
+  call utilities_FFTtensorforward()
+
   rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pReal,pReal)
 
 !--------------------------------------------------------------------------------------------------