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DAMASK_EICMD
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added raw output, gmsh output is still included

This commit is contained in:
Martin Diehl 2010-10-27 17:15:49 +00:00
parent 9320d48305
commit 17812c1f9e
1 changed files with 56 additions and 43 deletions
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77
code/mpie_spectral.f90
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@ -29,7 +29,8 @@ program mpie_spectral
use IO
use math
use CPFEM, only: CPFEM_general
use numerics, only: relevantStrain, rTol_crystalliteStress
use numerics, only: relevantStrain, rTol_crystalliteStress !ToDo: change to really needed variables
use homogenization, only: materialpoint_sizeResults, materialpoint_results
implicit none
include 'fftw3.f' !header file for fftw3 (declaring variables). Library file is also needed
@ -82,7 +83,7 @@ program mpie_spectral
! convergence etc.
real(pReal) err_div, err_stress, err_defgrad
real(pReal) err_div_tol, err_stress_tol, err_stress_tolrel, sigma0
real(pReal) err_div_tol, err_stress_tol, err_stress_tolrel, err_defgrad_tol, sigma0
integer(pInt) itmax, ierr
logical errmatinv
@ -96,6 +97,7 @@ program mpie_spectral
!gmsh output
character(len=1024) :: nriter
character(len=1024) :: nrstep
character(len=1024) :: nrloadcase
real(pReal), dimension(:,:,:,:), allocatable :: displacement
!gmsh output
@ -103,20 +105,17 @@ program mpie_spectral
bc_maskvector = ''
unit = 234_pInt
ones = 1.0_pReal
zeroes = 0.0_pReal
ones = 1.0_pReal; zeroes = 0.0_pReal
N_l = 0_pInt
N_s = 0_pInt
N_t = 0_pInt
N_n = 0_pInt
N_l = 0_pInt; N_s = 0_pInt
N_t = 0_pInt; N_n = 0_pInt
resolution = 1_pInt; meshdimension = 0.0_pReal
err_div_tol = 1.0e-4
err_div_tol = 1.0e-6
itmax = 250_pInt
err_stress_tolrel=0.01
err_defgrad_tol=1.0e-5
temperature = 300.0_pReal
gotResolution =.false.; gotDimension =.false.; gotHomogenization = .false.
@ -148,8 +147,7 @@ program mpie_spectral
end select
enddo ! count all identifiers to allocate memory and do sanity check
if ((N_l /= N_s).or.(N_s /= N_t).or.(N_t /= N_n)) & ! sanity check
call IO_error(46,ext_msg = path) !error message for incomplete input file
call IO_error(46,ext_msg = path) ! error message for incomplete input file
enddo
! allocate memory depending on lines in input file
@ -167,7 +165,7 @@ program mpie_spectral
read(unit,'(a1024)',END = 200) line
if (IO_isBlank(line)) cycle ! skip empty lines
i = i + 1
posInput = IO_stringPos(line,maxNchunksInput)
posInput = IO_stringPos(line,maxNchunksInput) ! ToDo: Add error message for case that information is not complete
do j = 1,maxNchunksInput,2
select case (IO_lc(IO_stringValue(line,posInput,j)))
case('l','velocitygrad')
@ -253,18 +251,16 @@ program mpie_spectral
print '(a,/,i4,i4,i4)','resolution a b c', resolution
print '(a,/,f6.1,f6.1,f6.1)','dimension x y z', meshdimension
print *,'homogenization',homog
print *, ''
allocate (workfft(resolution(1)/2+1,resolution(2),resolution(3),3,3)); workfft = 0.0_pReal
allocate (gamma_hat(resolution(1)/2+1,resolution(2),resolution(3),3,3,3,3)); gamma_hat = 0.0_pReal
allocate (xi(resolution(1)/2+1,resolution(2),resolution(3),3)); xi = 0.0_pReal
allocate (pstress_field(resolution(1),resolution(2),resolution(3),3,3)); pstress_field = 0.0_pReal
allocate (cstress_field(resolution(1),resolution(2),resolution(3),3,3)); cstress_field = 0.0_pReal
allocate (displacement(resolution(1),resolution(2),resolution(3),3)); displacement = 0.0_pReal
allocate (defgrad(resolution(1),resolution(2),resolution(3),3,3)); defgrad = 0.0_pReal
allocate (defgradold(resolution(1),resolution(2),resolution(3),3,3)); defgradold = 0.0_pReal
allocate (ddefgrad(resolution(1),resolution(2),resolution(3))); ddefgrad = 0.0_pReal
allocate (displacement(resolution(1),resolution(2),resolution(3),3)); displacement = 0.0_pReal
! Initialization of fftw (see manual on fftw.org for more details)
call dfftw_init_threads(ierr)
call dfftw_plan_with_nthreads(4)
@ -325,6 +321,15 @@ program mpie_spectral
enddo; enddo; enddo
open(539,file='stress-strain.out')
open(538,file='results.out') ! write header of output file
path = getLoadcaseName()
write(538,*), 'Loadcase: ',trim(path)
write(538,*), 'Workingdir: ',trim(getSolverWorkingDirectoryName())
path = getSolverJobName()
write(538,*), 'JobName: ',trim(path)
write(538,*), 'resolution a b c', resolution
write(538,'(a,f6.1,f6.1,f6.1)'), 'dimension x y z', meshdimension
write(538,*), 'materialpoint_sizeResults', materialpoint_sizeResults
! Initialization done
!*************************************************************
@ -368,9 +373,10 @@ program mpie_spectral
! convergence loop
do while( iter <= itmax .and. &
(err_div > err_div_tol .or. &
err_stress > err_stress_tol))
err_stress > err_stress_tol .or. &
err_defgrad > err_defgrad_tol))
iter = iter + 1
print '(A,I5.5,tr2,A,I5.5)', ' Step = ',steps,'Iteration = ',iter
print '(3(A,I5.5,tr2))', ' Loadcase = ',loadcase, ' Step = ',steps,'Iteration = ',iter
!*************************************************************
! adjust defgrad to fulfill BCs
@ -427,8 +433,8 @@ program mpie_spectral
err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
print '(a,E8.2)', ' error defgrad ',err_defgrad
print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol*0.8
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*0.8
if(err_stress < err_stress_tol*0.8) then
calcmode = 1
endif
@ -484,10 +490,13 @@ program mpie_spectral
err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(:,:,loadcase))))
err_stress_tol = maxval(abs(pstress_av))*err_stress_tolrel !accecpt relativ error specified
err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
print '(2(a,E8.2))', ' error divergence ',err_div,' Tol. = ', err_div_tol
print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol
if(err_stress > err_stress_tol .and. err_div < err_div_tol) then ! change to calculation of BCs, reset damper etc.
print '(2(a,E8.2))', ' error deformation gradient ',err_defgrad,' Tol. = ', err_defgrad_tol
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
defgradAimCorr = 0.0_pReal
damper = damper * 0.9_pReal
@ -495,9 +504,14 @@ program mpie_spectral
end select
enddo ! end looping when convergency is achieved
write(539,'(E12.6,a,E12.6)'),defgrad_av(3,3)-1,' ', cstress_av(3,3)
do i=1, prodnn !write to output file
write(538,*) materialpoint_results(:,1,i)
enddo
write(539,'(E12.6,a,E12.6)'),log(defgrad_av(3,3)),' ', cstress_av(3,3)
print '(a,x,f12.7)' ,' Determinant of Deformation Aim:', math_det3x3(defgradAim)
print '(a,/,3(3(f12.7,x)/))', ' Deformation Aim: ',defgradAim(1:3,:)
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
print *, ''
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
print '(A)', '************************************************************'
@ -526,9 +540,9 @@ program mpie_spectral
endif
enddo; enddo; enddo
write(nriter, *) iter; write(nrstep, *) steps
open(589,file = 'stress' //trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
open(588,file = 'disgrad'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
write(nrloadcase, *) loadcase; write(nriter, *) iter; write(nrstep, *) steps
open(589,file = 'stress' //trim(adjustl(nrloadcase))//'-'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
open(588,file = 'disgrad'//trim(adjustl(nrloadcase))//'-'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
write(589, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
write(588, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
@ -551,11 +565,10 @@ program mpie_spectral
write(589, '(A)'), '$EndElements'
write(588, '(A)'), '$EndElements'
write(589, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('stress'//trim(adjustl(nrstep))//&
'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
write(588, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('disgrad'//trim(adjustl(nrstep))//&
'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
write(589, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('stress'//trim(adjustl(nrloadcase))//'-'//&
trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
write(588, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('disgrad'//trim(adjustl(nrloadcase))//'-'//&
trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
ielem = 0_pInt
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
ielem = ielem + 1
@ -568,7 +581,7 @@ program mpie_spectral
close(589); close(588)
enddo ! end looping over steps in current loadcase
enddo ! end looping over loadcases
close(539)
close(539); close(538)
do i=1,2; do m = 1,3; do n = 1,3
call dfftw_destroy_plan(plan_fft(i,m,n))