merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step,

made convergence independent of size and resolution,
polishing output in DAMASK_spectral.f90
added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90
removed obsolete variable in numerics.f90
This commit is contained in:
Martin Diehl 2011-08-26 14:06:37 +00:00
parent 380a536b45
commit 4fb1cb8f87
4 changed files with 258 additions and 305 deletions

View File

@ -1,7 +1,7 @@
! Copyright 2011 Max-Planck-Institut für Eisenforschung GmbH ! Copyright 2011 Max-Planck-Institut fuer Eisenforschung GmbH
! !
! This file is part of DAMASK, ! This file is part of DAMASK,
! the Düsseldorf Advanced MAterial Simulation Kit. ! the Duesseldorf Advanced MAterial Simulation Kit.
! !
! DAMASK is free software: you can redistribute it and/or modify ! DAMASK is free software: you can redistribute it and/or modify
! it under the terms of the GNU General Public License as published by ! it under the terms of the GNU General Public License as published by
@ -49,8 +49,8 @@ program DAMASK_spectral
use math use math
use mesh, only: mesh_ipCenterOfGravity use mesh, only: mesh_ipCenterOfGravity
use CPFEM, only: CPFEM_general, CPFEM_initAll use CPFEM, only: CPFEM_general, CPFEM_initAll
use numerics, only: err_div_tol, err_stress_tol, err_stress_tolrel, err_defgrad_tol,& use numerics, only: err_div_tol, err_stress_tol, err_stress_tolrel,&
relevantStrain,itmax, memory_efficient, DAMASK_NumThreadsInt relevantStrain, itmax, memory_efficient, DAMASK_NumThreadsInt
use homogenization, only: materialpoint_sizeResults, materialpoint_results use homogenization, only: materialpoint_sizeResults, materialpoint_results
!$ use OMP_LIB ! the openMP function library !$ use OMP_LIB ! the openMP function library
@ -66,7 +66,6 @@ program DAMASK_spectral
integer(pInt) unit, N_l, N_s, N_t, N_n, N_freq, N_Fdot, N_temperature ! numbers of identifiers integer(pInt) unit, N_l, N_s, N_t, N_n, N_freq, N_Fdot, N_temperature ! numbers of identifiers
character(len=1024) path, line character(len=1024) path, line
logical gotResolution,gotDimension,gotHomogenization logical gotResolution,gotDimension,gotHomogenization
logical, dimension(9) :: bc_maskvector
! variables storing information from loadcase file ! variables storing information from loadcase file
real(pReal) time, time0, timeinc ! elapsed time, begin of interval, time interval real(pReal) time, time0, timeinc ! elapsed time, begin of interval, time interval
@ -81,49 +80,52 @@ program DAMASK_spectral
logical, dimension(:), allocatable :: followFormerTrajectory,& ! follow trajectory of former loadcase logical, dimension(:), allocatable :: followFormerTrajectory,& ! follow trajectory of former loadcase
velGradApplied ! decide wether velocity gradient or fdot is given velGradApplied ! decide wether velocity gradient or fdot is given
logical, dimension(:,:,:,:), allocatable :: bc_mask ! mask of boundary conditions logical, dimension(:,:,:,:), allocatable :: bc_mask ! mask of boundary conditions
logical, dimension(:,:,:), allocatable :: bc_maskvector ! linear mask of boundary conditions
! variables storing information from geom file ! variables storing information from geom file
real(pReal) wgt real(pReal) wgt
real(pReal), dimension(3) :: geomdimension real(pReal), dimension(3) :: geomdimension ! physical dimension of volume element in each direction
integer(pInt) homog integer(pInt) homog ! homogenization scheme used
integer(pInt), dimension(3) :: resolution integer(pInt), dimension(3) :: resolution ! resolution (number of Fourier points) in each direction
! stress etc. ! stress etc.
real(pReal), dimension(3,3) :: ones, zeroes, temp33_Real, damper,& real(pReal), dimension(3,3) :: ones, zeroes, temp33_Real, &
pstress, pstress_av, cstress_av, defgrad_av,& pstress, pstress_av, defgrad_av,&
defgradAim, defgradAimOld, defgradAimCorr, defgradAimCorrPrev,& defgradAim, defgradAimOld, defgradAimCorr,&
mask_stress, mask_defgrad, deltaF mask_stress, mask_defgrad, deltaF
real(pReal), dimension(3,3,3,3) :: dPdF, c_current, s_current, c0_reference ! ToDo real(pReal), dimension(3,3,3,3) :: dPdF, c0_reference, c_current, s_prev, c_prev ! stiffness and compliance
real(pReal), dimension(6) :: cstress, stress_res, delta_defgrad ! cauchy stress, residuum_stress, change of defgrad in Mandel notation real(pReal), dimension(6) :: cstress ! cauchy stress
real(pReal), dimension(6,6) :: dsde, c_current66, s_current66 ! Mandel notation of 4th order tensors real(pReal), dimension(6,6) :: dsde ! small strain stiffness
real(pReal), dimension(9,9) :: s_current99, c_current99 real(pReal), dimension(9,9) :: s_prev99, c_prev99 ! compliance and stiffness in matrix notation
real(pReal), dimension(:,:,:,:,:), allocatable :: workfft, defgrad, defgradold real(pReal), dimension(:,:,:,:,:), allocatable :: workfft, defgrad, defgradold
real(pReal), dimension(:,:,:,:), allocatable :: coordinates real(pReal), dimension(:,:,:,:), allocatable :: coordinates
real(pReal), dimension(:,:,:), allocatable :: temperature real(pReal), dimension(:,:,:), allocatable :: temperature
real(pReal), dimension(:,:), allocatable :: s_reduced, c_reduced real(pReal), dimension(:,:), allocatable :: s_reduced, c_reduced ! reduced compliance and stiffness (only for stress BC)
logical, dimension(6) :: mask_stress6 integer(pInt) size_reduced ! number of stress BCs
logical, dimension(9) :: mask_stress9
integer(pInt) size_reduced
! variables storing information for spectral method ! variables storing information for spectral method
complex(pReal) :: img complex(pReal) :: img
complex(pReal), dimension(3,3) :: temp33_Complex complex(pReal), dimension(3,3) :: temp33_Complex
real(pReal), dimension(3,3) :: xiDyad real(pReal), dimension(3,3) :: xiDyad ! product of wave vectors
real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat ! gamma operator (field) for spectral method
real(pReal), dimension(:,:,:,:), allocatable :: xi real(pReal), dimension(:,:,:,:), allocatable :: xi ! wave vector field
integer(pInt), dimension(3) :: k_s integer(pInt), dimension(3) :: k_s
integer*8, dimension(2) :: plan_fft integer*8, dimension(2) :: plan_fft ! plans for fftw (forward and backward)
! loop variables, convergence etc. ! loop variables, convergence etc.
real(pReal) guessmode, err_div, err_stress, err_defgrad, p_hat_avg real(pReal) guessmode, err_div, err_stress, p_hat_avg
integer(pInt) i, j, k, l, m, n, p integer(pInt) i, j, k, l, m, n, p
integer(pInt) loadcase, ielem, iter, calcmode, CPFEM_mode, ierr, not_converged_counter integer(pInt) loadcase, ielem, iter, CPFEM_mode, ierr, not_converged_counter
logical errmatinv logical errmatinv
!Initializing !Initializing
!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution set by DAMASK_NUM_THREADS !$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution set by DAMASK_NUM_THREADS
bc_maskvector = .false. print*, ''
print*, '<<<+- DAMASK_spectral init -+>>>'
print*, '$Id$'
print*, ''
unit = 234_pInt unit = 234_pInt
ones = 1.0_pReal; zeroes = 0.0_pReal ones = 1.0_pReal; zeroes = 0.0_pReal
img = cmplx(0.0,1.0) img = cmplx(0.0,1.0)
@ -179,12 +181,13 @@ program DAMASK_spectral
101 N_Loadcases = N_n 101 N_Loadcases = N_n
if ((N_l + N_Fdot /= N_n) .or. (N_n /= N_t)) & ! sanity check if ((N_l + N_Fdot /= N_n) .or. (N_n /= N_t)) & ! sanity check
call IO_error(31,ext_msg = path) ! error message for incomplete inp !ToDo:change message call IO_error(31,ext_msg = path) ! error message for incomplete loadcase
! allocate memory depending on lines in input file ! allocate memory depending on lines in input file
allocate (bc_deformation(3,3,N_Loadcases)); bc_deformation = 0.0_pReal allocate (bc_deformation(3,3,N_Loadcases)); bc_deformation = 0.0_pReal
allocate (bc_stress(3,3,N_Loadcases)); bc_stress = 0.0_pReal allocate (bc_stress(3,3,N_Loadcases)); bc_stress = 0.0_pReal
allocate (bc_mask(3,3,2,N_Loadcases)); bc_mask = .false. allocate (bc_mask(3,3,2,N_Loadcases)); bc_mask = .false.
allocate (bc_maskvector(9,2,N_Loadcases)); bc_maskvector = .false.
allocate (velGradApplied(N_Loadcases)); velGradApplied = .false. allocate (velGradApplied(N_Loadcases)); velGradApplied = .false.
allocate (bc_timeIncrement(N_Loadcases)); bc_timeIncrement = 0.0_pReal allocate (bc_timeIncrement(N_Loadcases)); bc_timeIncrement = 0.0_pReal
allocate (bc_temperature(N_Loadcases)); bc_temperature = 300.0_pReal allocate (bc_temperature(N_Loadcases)); bc_temperature = 300.0_pReal
@ -203,31 +206,24 @@ program DAMASK_spectral
posInput = IO_stringPos(line,maxNchunksInput) posInput = IO_stringPos(line,maxNchunksInput)
do j = 1,maxNchunksInput,2 do j = 1,maxNchunksInput,2
select case (IO_lc(IO_stringValue(line,posInput,j))) select case (IO_lc(IO_stringValue(line,posInput,j)))
case('fdot') ! assign values for the deformation BC matrix (in case of given fdot) case('fdot','l','velocitygrad') ! assign values for the deformation BC matrix
velGradApplied(loadcase) = (IO_lc(IO_stringValue(line,posInput,j)) == 'l' .or. &
IO_lc(IO_stringValue(line,posInput,j)) == 'velocitygrad') ! in case of given L, set flag to true
valuevector = 0.0_pReal valuevector = 0.0_pReal
forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '*' forall (k = 1:9) bc_maskvector(k,1,loadcase) = IO_stringValue(line,posInput,j+k) /= '*'
do k = 1,9 do k = 1,9
if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k) if (bc_maskvector(k,1,loadcase)) valuevector(k) = IO_floatValue(line,posInput,j+k)
enddo enddo
bc_mask(:,:,1,loadcase) = transpose(reshape(bc_maskvector,(/3,3/))) bc_mask(:,:,1,loadcase) = transpose(reshape(bc_maskvector(1:9,1,loadcase),(/3,3/)))
bc_deformation(:,:,loadcase) = math_transpose3x3(reshape(valuevector,(/3,3/))) bc_deformation(:,:,loadcase) = math_plain9to33(valuevector)
case('l','velocitygrad') ! assign values for the deformation BC matrix (in case of given L)
velGradApplied(loadcase) = .true. ! in case of given L, set flag to true
valuevector = 0.0_pReal
forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '*'
do k = 1,9
if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k)
enddo
bc_mask(:,:,1,loadcase) = transpose(reshape(bc_maskvector,(/3,3/)))
bc_deformation(:,:,loadcase) = math_transpose3x3(reshape(valuevector,(/3,3/)))
case('s', 'stress', 'pk1', 'piolakirchhoff') case('s', 'stress', 'pk1', 'piolakirchhoff')
valuevector = 0.0_pReal valuevector = 0.0_pReal
forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '*' forall (k = 1:9) bc_maskvector(k,2,loadcase) = IO_stringValue(line,posInput,j+k) /= '*'
do k = 1,9 do k = 1,9
if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k) ! assign values for the bc_stress matrix if (bc_maskvector(k,2,loadcase)) valuevector(k) = IO_floatValue(line,posInput,j+k) ! assign values for the bc_stress matrix
enddo enddo
bc_mask(:,:,2,loadcase) = transpose(reshape(bc_maskvector,(/3,3/))) bc_mask(:,:,2,loadcase) = transpose(reshape(bc_maskvector(1:9,2,loadcase),(/3,3/)))
bc_stress(:,:,loadcase) = math_transpose3x3(reshape(valuevector,(/3,3/))) bc_stress(:,:,loadcase) = math_plain9to33(valuevector)
case('t','time','delta') ! increment time case('t','time','delta') ! increment time
bc_timeIncrement(loadcase) = IO_floatValue(line,posInput,j+1) bc_timeIncrement(loadcase) = IO_floatValue(line,posInput,j+1)
case('temp','temperature') ! starting temperature case('temp','temperature') ! starting temperature
@ -329,8 +325,8 @@ program DAMASK_spectral
mod(resolution(2),2_pInt)/=0_pInt .or.& mod(resolution(2),2_pInt)/=0_pInt .or.&
(mod(resolution(3),2_pInt)/=0_pInt .and. resolution(3)/= 1_pInt)) call IO_error(103) (mod(resolution(3),2_pInt)/=0_pInt .and. resolution(3)/= 1_pInt)) call IO_error(103)
print '(a,/,i4,i4,i4)','resolution a b c:', resolution print '(a,/,i5,i5,i5)','resolution a b c:', resolution
print '(a,/,f8.4,f8.5,f8.5)','dimension x y z:', geomdimension print '(a,/,f12.5,f12.5,f12.5)','dimension x y z:', geomdimension
print '(a,i4)','homogenization: ',homog print '(a,i4)','homogenization: ',homog
allocate (defgrad ( resolution(1),resolution(2),resolution(3),3,3)); defgrad = 0.0_pReal allocate (defgrad ( resolution(1),resolution(2),resolution(3),3,3)); defgrad = 0.0_pReal
@ -357,7 +353,7 @@ program DAMASK_spectral
c_current = c_current + dPdF c_current = c_current + dPdF
enddo; enddo; enddo enddo; enddo; enddo
c0_reference = c_current * wgt ! linear reference material stiffness c0_reference = c_current * wgt ! linear reference material stiffness
c_prev = c0_reference
do k = 1, resolution(3) ! calculation of discrete angular frequencies, ordered as in FFTW (wrap around) do k = 1, resolution(3) ! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
k_s(3) = k-1 k_s(3) = k-1
if(k > resolution(3)/2+1) k_s(3) = k_s(3)-resolution(3) if(k > resolution(3)/2+1) k_s(3) = k_s(3)-resolution(3)
@ -371,6 +367,12 @@ program DAMASK_spectral
xi(2,i,j,k) = real(k_s(2), pReal)/geomdimension(2) xi(2,i,j,k) = real(k_s(2), pReal)/geomdimension(2)
xi(1,i,j,k) = real(k_s(1), pReal)/geomdimension(1) xi(1,i,j,k) = real(k_s(1), pReal)/geomdimension(1)
enddo; enddo; enddo enddo; enddo; enddo
! remove highest frequencies for calculation of divergence (CAREFULL, they will be used for pre calculatet gamma operator!)
do k = 1,resolution(3); do j = 1,resolution(2); do i = 1,resolution(1)/2+1
if(k==resolution(3)/2+1) xi(3,i,j,k)= 0.0_pReal
if(j==resolution(2)/2+1) xi(2,i,j,k)= 0.0_pReal
if(i==resolution(1)/2+1) xi(1,i,j,k)= 0.0_pReal
enddo; enddo; enddo
if(memory_efficient) then ! allocate just single fourth order tensor if(memory_efficient) then ! allocate just single fourth order tensor
allocate (gamma_hat(1,1,1,3,3,3,3)); gamma_hat = 0.0_pReal allocate (gamma_hat(1,1,1,3,3,3,3)); gamma_hat = 0.0_pReal
@ -437,16 +439,19 @@ program DAMASK_spectral
!************************************************************* !*************************************************************
time0 = time ! loadcase start time time0 = time ! loadcase start time
if (followFormerTrajectory(loadcase)) then if (followFormerTrajectory(loadcase)) then ! continue to guess along former trajectory where applicable
guessmode = 1.0_pReal guessmode = 1.0_pReal
else else
guessmode = 0.0_pReal ! change of load case, homogeneous guess for the first step guessmode = 0.0_pReal ! change of load case, homogeneous guess for the first step
damper = 1.0_pReal
endif endif
mask_defgrad = merge(ones,zeroes,bc_mask(:,:,1,loadcase)) mask_defgrad = merge(ones,zeroes,bc_mask(:,:,1,loadcase))
mask_stress = merge(ones,zeroes,bc_mask(:,:,2,loadcase)) mask_stress = merge(ones,zeroes,bc_mask(:,:,2,loadcase))
size_reduced = count(bc_maskvector(1:9,2,loadcase))
allocate (c_reduced(size_reduced,size_reduced)); c_reduced = 0.0_pReal
allocate (s_reduced(size_reduced,size_reduced)); s_reduced = 0.0_pReal
timeinc = bc_timeIncrement(loadcase)/bc_steps(loadcase) ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
deltaF = bc_deformation(:,:,loadcase) ! only valid for given fDot. will be overwritten later in case L is given deltaF = bc_deformation(:,:,loadcase) ! only valid for given fDot. will be overwritten later in case L is given
!************************************************************* !*************************************************************
! loop oper steps defined in input file for current loadcase ! loop oper steps defined in input file for current loadcase
@ -463,17 +468,13 @@ program DAMASK_spectral
timeinc = time0 * ( ((1.0_pReal+bc_timeIncrement(loadcase)/time0)**(float( step )/(bc_steps(loadcase)))) & timeinc = time0 * ( ((1.0_pReal+bc_timeIncrement(loadcase)/time0)**(float( step )/(bc_steps(loadcase)))) &
- ((1.0_pReal+bc_timeIncrement(loadcase)/time0)**(float((step-1))/(bc_steps(loadcase)))) ) - ((1.0_pReal+bc_timeIncrement(loadcase)/time0)**(float((step-1))/(bc_steps(loadcase)))) )
endif endif
else ! linear scale
timeinc = bc_timeIncrement(loadcase)/bc_steps(loadcase)
endif endif
time = time + timeinc time = time + timeinc
! update macroscopic deformation gradient (defgrad BC)
if (velGradApplied(loadcase)) & ! calculate deltaF from given L and current F if (velGradApplied(loadcase)) & ! calculate deltaF from given L and current F
deltaF = math_mul33x33(bc_deformation(:,:,loadcase), defgradAim) deltaF = math_mul33x33(bc_deformation(:,:,loadcase), defgradAim)
!winding forward of deformation aim
temp33_Real = defgradAim temp33_Real = defgradAim
defgradAim = defgradAim & defgradAim = defgradAim &
+ guessmode * mask_stress * (defgradAim - defgradAimOld) & + guessmode * mask_stress * (defgradAim - defgradAimOld) &
@ -483,44 +484,58 @@ program DAMASK_spectral
! update local deformation gradient ! update local deformation gradient
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
temp33_Real = defgrad(i,j,k,:,:) temp33_Real = defgrad(i,j,k,:,:)
if (velGradApplied(loadcase)) & ! using velocity gradient to calculate new deformation gradient (if not guessing) if (velGradApplied(loadcase)) & ! use velocity gradient to calculate new deformation gradient (if not guessing)
deltaF = math_mul33x33(bc_deformation(:,:,loadcase),defgradold(i,j,k,:,:)) deltaF = math_mul33x33(bc_deformation(:,:,loadcase),defgradold(i,j,k,:,:))
defgrad(i,j,k,:,:) = defgrad(i,j,k,:,:) & ! decide if guessing along former trajectory or apply homogeneous addon (addon only for applied deformation) defgrad(i,j,k,:,:) = defgrad(i,j,k,:,:) & ! decide if guessing along former trajectory or apply homogeneous addon
+ guessmode * (defgrad(i,j,k,:,:) - defgradold(i,j,k,:,:))& + guessmode * (defgrad(i,j,k,:,:) - defgradold(i,j,k,:,:))& ! guessing...
+ (1.0_pReal-guessmode) * mask_defgrad * deltaF *timeinc + (1.0_pReal-guessmode) * mask_defgrad * deltaF *timeinc ! apply the prescribed value where deformation is given if not guessing
defgradold(i,j,k,:,:) = temp33_Real defgradold(i,j,k,:,:) = temp33_Real
enddo; enddo; enddo enddo; enddo; enddo
guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
if (all(bc_mask(:,:,1,loadcase))) then
calcmode = 1_pInt ! if no stress BC is given (calmode 0 is not needed)
else
calcmode = 0_pInt ! start calculation of BC fulfillment
endif
CPFEM_mode = 1_pInt ! winding forward CPFEM_mode = 1_pInt ! winding forward
iter = 0_pInt iter = 0_pInt
err_div= 2.0_pReal * err_div_tol ! go into loop err_div = 2.0_pReal * err_div_tol ! go into loop
if(size_reduced > 0_pInt) then ! calculate compliance in case stress BC is applied
c_prev99 = math_Plain3333to99(c_prev)
k = 0_pInt ! build reduced stiffness
do n = 1,9
if(bc_maskvector(n,2,loadcase)) then
k = k + 1_pInt
j = 0_pInt
do m = 1,9
if(bc_maskvector(m,2,loadcase)) then
j = j + 1_pInt
c_reduced(k,j) = c_prev99(n,m)
endif; enddo; endif; enddo
call math_invert(size_reduced, c_reduced, s_reduced, i, errmatinv) ! invert reduced stiffness
if(errmatinv) call IO_error(800)
s_prev99 = 0.0_pReal ! build full compliance
k = 0_pInt
do n = 1,9
if(bc_maskvector(n,2,loadcase)) then
k = k + 1_pInt
j = 0_pInt
do m = 1,9
if(bc_maskvector(m,2,loadcase)) then
j = j + 1_pInt
s_prev99(n,m) = s_reduced(k,j)
endif; enddo; endif; enddo
s_prev = (math_Plain99to3333(s_prev99))
endif
!************************************************************* !*************************************************************
! convergence loop ! convergence loop
do while(iter < itmax .and. & do while(iter < itmax .and. &
(err_div > err_div_tol .or. & (err_div > err_div_tol .or. &
err_stress > err_stress_tol .or. & err_stress > err_stress_tol))
err_defgrad > err_defgrad_tol))
iter = iter + 1_pInt iter = iter + 1_pInt
if (iter == itmax) not_converged_counter = not_converged_counter + 1 if (iter == itmax) not_converged_counter = not_converged_counter + 1
print*, ' ' print '(A,/)', '============================================================'
print '(3(A,I5.5,tr2))', ' Loadcase = ',loadcase, ' Step = ',step, ' Iteration = ',iter print '(3(A,I5.5,tr2)/)', 'Loadcase = ',loadcase, ' Step = ',step, ' Iteration = ',iter
cstress_av = 0.0_pReal
workfft = 0.0_pReal ! needed because of the padding for FFTW workfft = 0.0_pReal ! needed because of the padding for FFTW
!************************************************************* !*************************************************************
print '(A,/)', '== Update Stress Field (Constitutive Evaluation P(F)) =='
! adjust defgrad to fulfill BCs
select case (calcmode)
case (0)
print *, 'Update Stress Field (constitutive evaluation P(F))'
ielem = 0_pInt ielem = 0_pInt
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1) do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
ielem = ielem + 1 ielem = ielem + 1
@ -538,160 +553,46 @@ program DAMASK_spectral
coordinates(1:3,i,j,k),& coordinates(1:3,i,j,k),&
defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),& ! others get 2 (saves winding forward effort) defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),& ! others get 2 (saves winding forward effort)
temperature(i,j,k),timeinc,ielem,1_pInt,& temperature(i,j,k),timeinc,ielem,1_pInt,&
cstress,dsde, pstress, dPdF) cstress,dsde, pstress,dPdF)
CPFEM_mode = 2_pInt CPFEM_mode = 2_pInt
workfft(i,j,k,:,:) = pstress ! build up average P-K stress workfft(i,j,k,:,:) = pstress ! build up average P-K stress
cstress_av = cstress_av + math_mandel6to33(cstress) ! build up average Cauchy stress
c_current = c_current + dPdF c_current = c_current + dPdF
enddo; enddo; enddo enddo; enddo; enddo
c_current = c_current * wgt
cstress_av = cstress_av * wgt
do n = 1,3; do m = 1,3 do n = 1,3; do m = 1,3
pstress_av(m,n) = sum(workfft(1:resolution(1),:,:,m,n)) * wgt pstress_av(m,n) = sum(workfft(1:resolution(1),:,:,m,n)) * wgt
defgrad_av(m,n) = sum(defgrad(: ,:,:,m,n)) * wgt defgrad_av(m,n) = sum(defgrad(: ,:,:,m,n)) * wgt
enddo; enddo enddo; enddo
print '(a,/,3(3(f12.7,x)/))', 'Deformation Gradient:',math_transpose3x3(defgrad_av)
print '(a,/,3(3(f12.7,x)/))', 'Piola-Kirchhoff Stress / MPa: ',math_transpose3x3(pstress_av)/1.e6
err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(:,:,loadcase)))) err_stress_tol = 0.0_pReal
err_stress_tol = maxval(abs(pstress_av)) * 0.8 * err_stress_tolrel if(size_reduced > 0_pInt) then ! calculate stress BC if applied
err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(1:3,1:3,loadcase)))) ! maximum deviaton (tensor norm not applicable)
call math_invert(9, math_plain3333to99(c_current),s_current99,i,errmatinv) do m = 1,3
if(errmatinv) then err_stress_tol = max(err_stress_tol, sum(abs(pstress_av(m,1:3)))) ! L_inf norm of average stress
print*, 'using symmetric compliance'
pause !maybe we don't need it. Code below is not working
!mask_stress6 = math_Plain33to6_logical(bc_mask(:,:,2,loadcase))
!if the symmetrized stiffness is not used at all, the allocate terms only needed at the beginning of a load case
size_reduced = count(mask_stress6)
allocate (c_reduced(size_reduced,size_reduced)); c_reduced = 0.0_pReal
allocate (s_reduced(size_reduced,size_reduced)); s_reduced = 0.0_pReal
! c_current66 = math_Plain3333to66(c_current)
k = 0_pInt
do n = 1,6
if(mask_stress6(n)) then
k = k + 1_pInt
j = 0_pInt
do m = 1,6
if(mask_stress6(m)) then
j = j + 1_pInt
c_reduced(k,j) = c_current66(n,m)
endif
enddo enddo
endif err_stress_tol = err_stress_tol * err_stress_tolrel ! weighting by relative criterion
enddo print '(A,/)', '== Correcting Deformation Gradient to Fullfill BCs =='
call math_invert(size_reduced, c_reduced, s_reduced, i, errmatinv) print '(2(a,E10.5)/)', 'Error Stress = ',err_stress, ' Tol. = ', err_stress_tol
if(errmatinv) call IO_error(800) defgradAimCorr = - math_mul3333xx33(s_prev, ((pstress_av - bc_stress(1:3,1:3,loadcase)))) ! residual on given stress components
s_current66 = 0.0_pReal
k = 0_pInt
do n = 1,6
if(mask_stress6(n)) then
k = k + 1_pInt
j = 0_pInt
do m = 1,6
if(mask_stress6(m)) then
j = j + 1_pInt
s_current66(n,m) = s_reduced(k,j)
endif
enddo
endif
enddo
! s_current = math_Plain66to3333(s_current66)
else
mask_stress9 = reshape(bc_mask(:,:,2,loadcase),(/9/))
size_reduced = count(mask_stress9)
allocate (c_reduced(size_reduced,size_reduced)); c_reduced = 0.0_pReal
allocate (s_reduced(size_reduced,size_reduced)); s_reduced = 0.0_pReal
c_current99 = math_Plain3333to99(c_current)
k = 0_pInt ! build reduced stiffness
do n = 1,9
if(mask_stress9(n)) then
k = k + 1_pInt
j = 0_pInt
do m = 1,9
if(mask_stress9(m)) then
j = j + 1_pInt
c_reduced(k,j) = c_current99(n,m)
endif; enddo; endif; enddo
call math_invert(size_reduced, c_reduced, s_reduced, i, errmatinv) ! invert reduced stiffness
if(errmatinv) call IO_error(800)
s_current99 = 0.0_pReal ! build full compliance
k = 0_pInt
do n = 1,9
if(mask_stress9(n)) then
k = k + 1_pInt
j = 0_pInt
do m = 1,9
if(mask_stress9(m)) then
j = j + 1_pInt
s_current99(n,m) = s_reduced(k,j)
endif; enddo; endif; enddo
s_current = math_Plain99to3333(s_current99)
endif
deallocate(c_reduced)
deallocate(s_reduced)
print*, 'Correcting deformation gradient to fullfill BCs'
defgradAimCorr = - math_mul3333xx33(s_current, ((pstress_av - bc_stress(:,:,loadcase)))) ! residual on given stress components
defgradAim = defgradAim + defgradAimCorr defgradAim = defgradAim + defgradAimCorr
do m = 1,3; do n = 1,3
defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + defgradAim(m,n) - defgrad_av(m,n) ! anticipated target minus current state
enddo; enddo
err_div = 2.0_pReal * err_div_tol
err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient:',math_transpose3x3(defgrad_av)
print '(a,/,3(3(f10.4,x)/))', ' Piola-Kirchhoff Stress / MPa: ',math_transpose3x3(pstress_av)/1.e6
print '(2(a,E8.2))', ' error stress: ',err_stress, ' Tol. = ', err_stress_tol
print '(2(a,E8.2))', ' error deformation gradient: ',err_defgrad,' Tol. = ', err_defgrad_tol
if(err_stress < err_stress_tol) then
calcmode = 1_pInt
endif endif
print '(A,/)', '== Calculating Equilibrium Using Spectral Method =='
! Using the spectral method to calculate the change of deformation gradient, check divergence of stress field in fourier space
case (1)
print *, 'Update Stress Field (constitutive evaluation P(F))'
ielem = 0_pInt
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
ielem = ielem + 1_pInt
call CPFEM_general(3, coordinates(1:3,i,j,k), defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),&
temperature(i,j,k),timeinc,ielem,1_pInt,&
cstress,dsde, pstress, dPdF)
enddo; enddo; enddo
ielem = 0_pInt
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
ielem = ielem + 1_pInt
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
coordinates(1:3,i,j,k),&
defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),&
temperature(i,j,k),timeinc,ielem,1_pInt,&
cstress,dsde, pstress, dPdF)
CPFEM_mode = 2_pInt
workfft(i,j,k,:,:) = pstress
cstress_av = cstress_av + math_mandel6to33(cstress)
enddo; enddo; enddo
cstress_av = cstress_av * wgt
do n = 1,3; do m = 1,3
pstress_av(m,n) = sum(workfft(1:resolution(1),1:resolution(2),1:resolution(3),m,n)) * wgt
enddo; enddo
print *, 'Calculating equilibrium using spectral method'
err_div = 0.0_pReal err_div = 0.0_pReal
p_hat_avg = 0.0_pReal p_hat_avg = 0.0_pReal
call dfftw_execute_dft_r2c(plan_fft(1),workfft,workfft) ! FFT of pstress call dfftw_execute_dft_r2c(plan_fft(1),workfft,workfft) ! FFT of pstress
do m = 1,3 ! L infinity norm of stress tensor do m =1,3 ! L_inf norm of average stress in fourier space
p_hat_avg = max(p_hat_avg, sum(abs(workfft(1,1,1,:,m)))) ! ignore imaginary part as it is always zero (Nyquist freq for real only input) p_hat_avg = max(p_hat_avg,sum(abs(workfft(1,1,1,m,1:3)))) ! ignore imaginary part as it is always zero for real only input))
enddo enddo
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1 do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
err_div = max(err_div, maxval(abs(math_mul33x3_complex(workfft(i*2-1,j,k,:,:)+& ! maximum of L infinity norm of div(stress), Suquet 2001 err_div = err_div + maxval(abs(math_mul33x3_complex(workfft(i*2-1,j,k,1:3,1:3)+& ! avg of L_inf norm of div(stress) in fourier space (Suquet small strain)
workfft(i*2, j,k,:,:)*img,xi(:,i,j,k)*minval(geomdimension))))) workfft(i*2, j,k,1:3,1:3)*img,xi(1:3,i,j,k))))
enddo; enddo; enddo enddo; enddo; enddo
err_div = err_div/p_hat_avg !weigthting of error by average stress (L infinity norm) err_div = err_div*wgt/p_hat_avg*(minval(geomdimension)*wgt**(-1/4)) ! weigthting, multiplying by minimum dimension to get rid of dimension dependency
if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat if(memory_efficient) then ! memory saving version, on-the-fly calculation of gamma_hat
do k = 1, resolution(3); do j = 1, resolution(2) ;do i = 1, resolution(1)/2+1 do k = 1, resolution(3); do j = 1, resolution(2) ;do i = 1, resolution(1)/2+1
@ -712,7 +613,7 @@ program DAMASK_spectral
temp33_Complex(m,n) = sum(gamma_hat(1,1,1,m,n,:,:) *(workfft(i*2-1,j,k,:,:)& temp33_Complex(m,n) = sum(gamma_hat(1,1,1,m,n,:,:) *(workfft(i*2-1,j,k,:,:)&
+workfft(i*2 ,j,k,:,:)*img)) +workfft(i*2 ,j,k,:,:)*img))
enddo; enddo enddo; enddo
workfft(i*2-1,j,k,:,:) = real (temp33_Complex) ! change of average strain workfft(i*2-1,j,k,:,:) = real (temp33_Complex)
workfft(i*2 ,j,k,:,:) = aimag(temp33_Complex) workfft(i*2 ,j,k,:,:) = aimag(temp33_Complex)
enddo; enddo; enddo enddo; enddo; enddo
else ! use precalculated gamma-operator else ! use precalculated gamma-operator
@ -721,11 +622,12 @@ program DAMASK_spectral
temp33_Complex(m,n) = sum(gamma_hat(i,j,k, m,n,:,:) *(workfft(i*2-1,j,k,:,:)& temp33_Complex(m,n) = sum(gamma_hat(i,j,k, m,n,:,:) *(workfft(i*2-1,j,k,:,:)&
+ workfft(i*2 ,j,k,:,:)*img)) + workfft(i*2 ,j,k,:,:)*img))
enddo; enddo enddo; enddo
workfft(i*2-1,j,k,:,:) = real (temp33_Complex) ! change of average strain workfft(i*2-1,j,k,:,:) = real (temp33_Complex)
workfft(i*2 ,j,k,:,:) = aimag(temp33_Complex) workfft(i*2 ,j,k,:,:) = aimag(temp33_Complex)
enddo; enddo; enddo enddo; enddo; enddo
endif endif
! average strain
workfft(1,1,1,:,:) = defgrad_av - math_I3 ! zero frequency (real part) workfft(1,1,1,:,:) = defgrad_av - math_I3 ! zero frequency (real part)
workfft(2,1,1,:,:) = 0.0_pReal ! zero frequency (imaginary part) workfft(2,1,1,:,:) = 0.0_pReal ! zero frequency (imaginary part)
@ -736,35 +638,28 @@ program DAMASK_spectral
defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) ! anticipated target minus current state defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) ! anticipated target minus current state
enddo; enddo enddo; enddo
err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(:,:,loadcase)))) do m = 1,3; do n = 1,3
err_stress_tol = maxval(abs(pstress_av))*err_stress_tolrel ! accecpt relative error specified defgrad_av(m,n) = sum(defgrad(:,:,:,m,n))*wgt
err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim))) enddo; enddo
print '(a,/,3(3(f12.7,x)/))', 'Deformation Gradient:',math_transpose3x3(defgrad_av)
print '(2(a,E10.5)/)', 'Error Divergence = ',err_div, ' Tol. = ', err_div_tol
print '(2(a,E13.8))', ' error divergence: ',err_div, ' Tol. = ', err_div_tol
print '(2(a,E13.8))', ' error stress: ',err_stress, ' Tol. = ', err_stress_tol
print '(2(a,E13.8))', ' error deformation gradient: ',err_defgrad,' Tol. = ', err_defgrad_tol
!ToDo: usefull .and. for err_div?
if((err_stress > err_stress_tol .or. err_defgrad > err_defgrad_tol) .and. err_div < err_div_tol) then ! change to calculation of BCs, reset damper etc.
calcmode = 0_pInt
defgradAimCorr = 0.0_pReal
damper = 1.0_pReal
endif
end select
enddo ! end looping when convergency is achieved enddo ! end looping when convergency is achieved
c_prev = c_current*wgt ! calculate stiffness for next step
if (mod(step,bc_frequency(loadcase)) == 0_pInt) & ! at output frequency if (mod(step,bc_frequency(loadcase)) == 0_pInt) & ! at output frequency
write(538) materialpoint_results(:,1,:) ! write result to file write(538) materialpoint_results(:,1,:) ! write result to file
print '(2(A,I5.5),A,/)', 'Step = ',step, ' of Loadcase = ',loadcase, ' Converged'
print '(A)', '------------------------------------------------------------' print '(a,x,f12.7,/)' , 'Determinant of Deformation Aim: ', math_det3x3(defgradAim)
print '(a,x,f12.7)' , ' Determinant of Deformation Aim: ', math_det3x3(defgradAim) print '(a,/,3(3(f12.7,x)/))', 'Deformation Aim: ',math_transpose3x3(defgradAim)
print '(a,/,3(3(f12.7,x)/))', ' Deformation Aim: ',math_transpose3x3(defgradAim) print '(a,/,3(3(f12.7,x)/))', 'Deformation Gradient:',math_transpose3x3(defgrad_av)
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient:',math_transpose3x3(defgrad_av) print '(a,/,3(3(f10.4,x)/))', 'Piola-Kirchhoff Stress / MPa (prev. Iteration): ',math_transpose3x3(pstress_av)/1.e6
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress / MPa: ',math_transpose3x3(cstress_av)/1.e6 print '(A,/)', '************************************************************'
print '(a,/,3(3(f10.4,x)/))', ' Piola-Kirchhoff Stress / MPa: ',math_transpose3x3(pstress_av)/1.e6
print '(A)', '************************************************************'
enddo ! end looping over steps in current loadcase enddo ! end looping over steps in current loadcase
deallocate(c_reduced)
deallocate(s_reduced)
enddo ! end looping over loadcases enddo ! end looping over loadcases
print '(a,i10,a)', 'A Total of ', not_converged_counter, ' Steps did not converge!' print '(a,i10,a)', 'A Total of ', not_converged_counter, ' Steps did not Converge!'
close(538) close(538)
call dfftw_destroy_plan(plan_fft(1)); call dfftw_destroy_plan(plan_fft(2)) call dfftw_destroy_plan(plan_fft(1)); call dfftw_destroy_plan(plan_fft(2))

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@ -1196,6 +1196,8 @@ endfunction
msg = 'non-positive increments in spectral loadcase' msg = 'non-positive increments in spectral loadcase'
case (36) case (36)
msg = 'non-positive result frequency in spectral loadcase' msg = 'non-positive result frequency in spectral loadcase'
case (37)
msg = 'incomplete loadcase'
case (40) case (40)
msg = 'path rectification error' msg = 'path rectification error'
case (41) case (41)

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@ -1165,6 +1165,23 @@ pure function math_transpose3x3(A)
forall (i=1:9) math_Plain33to9(i) = m33(mapPlain(1,i),mapPlain(2,i)) forall (i=1:9) math_Plain33to9(i) = m33(mapPlain(1,i),mapPlain(2,i))
endfunction math_Plain33to9 endfunction math_Plain33to9
!********************************************************************
! convert 3x3 matrix into vector 9x1
!********************************************************************
pure function math_Plain33to9_logical(m33)
use prec, only: pReal,pInt
implicit none
logical, dimension(3,3), intent(in) :: m33
logical, dimension(9) :: math_Plain33to9_logical
integer(pInt) i
forall (i=1:9) math_Plain33to9_logical(i) = m33(mapPlain(1,i),mapPlain(2,i))
endfunction math_Plain33to9_logical
!******************************************************************** !********************************************************************
! convert Plain 9x1 back to 3x3 matrix ! convert Plain 9x1 back to 3x3 matrix
!******************************************************************** !********************************************************************
@ -2048,7 +2065,7 @@ endfunction math_sampleGaussVar
real(pReal) CE(3,3),EW1,EW2,EW3,EB1(3,3),EB2(3,3),EB3(3,3),UI(3,3),det real(pReal) CE(3,3),EW1,EW2,EW3,EB1(3,3),EB2(3,3),EB3(3,3),UI(3,3),det
error = .false. error = .false.
ce = math_mul33x33(transpose(FE),FE) ce = math_mul33x33(math_transpose3x3(FE),FE)
CALL math_spectral1(CE,EW1,EW2,EW3,EB1,EB2,EB3) CALL math_spectral1(CE,EW1,EW2,EW3,EB1,EB2,EB3)
U=sqrt(EW1)*EB1+sqrt(EW2)*EB2+sqrt(EW3)*EB3 U=sqrt(EW1)*EB1+sqrt(EW2)*EB2+sqrt(EW3)*EB3
@ -2154,6 +2171,51 @@ endfunction math_sampleGaussVar
ENDSUBROUTINE math_spectral1 ENDSUBROUTINE math_spectral1
!**********************************************************************
function math_eigenvalues3x3(M)
!**** Eigenvalues of symmetric 3X3 matrix M
use prec, only: pReal, pInt
implicit none
real(pReal), intent(in) :: M(3,3)
real(pReal), dimension(3,3) :: EB1(3,3),EB2(3,3),EB3(3,3)
real(pReal), dimension(3) :: math_eigenvalues3x3
real(pReal) HI1M,HI2M,HI3M,TOL,R,S,T,P,Q,RHO,PHI,Y1,Y2,Y3,arg,EW1,EW2,EW3
TOL=1.e-14_pReal
CALL math_hi(M,HI1M,HI2M,HI3M)
R=-HI1M
S= HI2M
T=-HI3M
P=S-R**2.0_pReal/3.0_pReal
Q=2.0_pReal/27.0_pReal*R**3.0_pReal-R*S/3.0_pReal+T
EB1=0.0_pReal
EB2=0.0_pReal
EB3=0.0_pReal
if((abs(P) < TOL) .and. (abs(Q) < TOL)) THEN
! three equivalent eigenvalues
math_eigenvalues3x3(1) = HI1M/3.0_pReal
math_eigenvalues3x3(2)=math_eigenvalues3x3(1)
math_eigenvalues3x3(3)=math_eigenvalues3x3(1)
! this is not really correct, but this way U is calculated
! correctly in PDECOMPOSITION (correct is EB?=I)
EB1(1,1)=1.0_pReal
EB2(2,2)=1.0_pReal
EB3(3,3)=1.0_pReal
else
RHO=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal
arg=-Q/RHO/2.0_pReal
if(arg.GT.1) arg=1
if(arg.LT.-1) arg=-1
PHI=acos(arg)
Y1=2*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal)
Y2=2*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal+2.0_pReal/3.0_pReal*PI)
Y3=2*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal+4.0_pReal/3.0_pReal*PI)
math_eigenvalues3x3(1) = Y1-R/3.0_pReal
math_eigenvalues3x3(2) = Y2-R/3.0_pReal
math_eigenvalues3x3(3) = Y3-R/3.0_pReal
endif
endfunction math_eigenvalues3x3
!********************************************************************** !**********************************************************************
!**** HAUPTINVARIANTEN HI1M, HI2M, HI3M DER 3X3 MATRIX M !**** HAUPTINVARIANTEN HI1M, HI2M, HI3M DER 3X3 MATRIX M

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@ -67,8 +67,7 @@ real(pReal) relevantStrain, & ! strain
!* spectral parameters: !* spectral parameters:
err_div_tol, & ! error of divergence in fourier space err_div_tol, & ! error of divergence in fourier space
err_stress_tol, & ! absolut stress error, will be computed from err_stress_tolrel (dont prescribe a value) err_stress_tol, & ! absolut stress error, will be computed from err_stress_tolrel (dont prescribe a value)
err_stress_tolrel, & ! factor to multiply with highest stress to get err_stress_tol err_stress_tolrel ! factor to multiply with highest stress to get err_stress_tol
err_defgrad_tol ! tolerance for error of defgrad compared to prescribed defgrad
logical memory_efficient ! for fast execution (pre calculation of gamma_hat) logical memory_efficient ! for fast execution (pre calculation of gamma_hat)
integer(pInt) itmax , & ! maximum number of iterations integer(pInt) itmax , & ! maximum number of iterations
@ -163,10 +162,9 @@ subroutine numerics_init()
volDiscrPow_RGC = 5.0 volDiscrPow_RGC = 5.0
!* spectral parameters: !* spectral parameters:
err_div_tol = 1.0e-2 ! proposed by Suquet, less strict criteria are usefull, e.g. 5e-3 err_div_tol = 1.0e-4 ! 1.0e-4 proposed by Suquet
err_defgrad_tol = 1.0e-3 ! relative tolerance for fullfillment of average deformation gradient (is usually passively fullfilled)
err_stress_tolrel = 0.01 ! relative tolerance for fullfillment of stress BC err_stress_tolrel = 0.01 ! relative tolerance for fullfillment of stress BC
itmax = 40_pInt ! Maximum iteration number itmax = 20_pInt ! Maximum iteration number
memory_efficient = .true. ! Precalculate Gamma-operator (81 double per point) memory_efficient = .true. ! Precalculate Gamma-operator (81 double per point)
!* Random seeding parameters: added <<<updated 27.08.2009>>> !* Random seeding parameters: added <<<updated 27.08.2009>>>
@ -274,8 +272,6 @@ subroutine numerics_init()
!* spectral parameters !* spectral parameters
case ('err_div_tol') case ('err_div_tol')
err_div_tol = IO_floatValue(line,positions,2) err_div_tol = IO_floatValue(line,positions,2)
case ('err_defgrad_tol')
err_defgrad_tol = IO_floatValue(line,positions,2)
case ('err_stress_tolrel') case ('err_stress_tolrel')
err_stress_tolrel = IO_floatValue(line,positions,2) err_stress_tolrel = IO_floatValue(line,positions,2)
case ('itmax') case ('itmax')
@ -345,7 +341,6 @@ subroutine numerics_init()
!* spectral parameters !* spectral parameters
write(6,'(a24,x,e8.1)') 'err_div_tol: ',err_div_tol write(6,'(a24,x,e8.1)') 'err_div_tol: ',err_div_tol
write(6,'(a24,x,e8.1)') 'err_defgrad_tol: ',err_defgrad_tol
write(6,'(a24,x,e8.1)') 'err_stress_tolrel: ',err_stress_tolrel write(6,'(a24,x,e8.1)') 'err_stress_tolrel: ',err_stress_tolrel
write(6,'(a24,x,i8)') 'itmax: ',itmax write(6,'(a24,x,i8)') 'itmax: ',itmax
write(6,'(a24,x,L8)') 'memory_efficient: ',memory_efficient write(6,'(a24,x,L8)') 'memory_efficient: ',memory_efficient
@ -403,7 +398,6 @@ subroutine numerics_init()
!* spectral parameters !* spectral parameters
if (err_div_tol <= 0.0_pReal) call IO_error(49) if (err_div_tol <= 0.0_pReal) call IO_error(49)
if (err_defgrad_tol <= 0.0_pReal) call IO_error(49)
if (err_stress_tolrel <= 0.0_pReal) call IO_error(49) if (err_stress_tolrel <= 0.0_pReal) call IO_error(49)
if (itmax <= 1.0_pInt) call IO_error(49) if (itmax <= 1.0_pInt) call IO_error(49)