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DAMASK_EICMD
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extended IO to cope with different name for solverJob and Model 

polishing, added error codes
added FFTW library files
This commit is contained in:
Martin Diehl 2011-02-21 14:37:38 +00:00
parent 34336bc659
commit 8dd1a694a3
10 changed files with 169 additions and 101 deletions
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19
code/IO.f90
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@ -168,14 +168,14 @@ end function
if (FEsolver == 'Abaqus') then
open(unit+1,status='old',err=100,&
file=trim(getSolverWorkingDirectoryName())//&
trim(getSolverJobName())//InputFileExtension)
trim(getModelName())//InputFileExtension)
open(unit,err=100,file=trim(getSolverWorkingDirectoryName())//&
trim(getSolverJobName())//InputFileExtension//'_assembly')
trim(getModelName())//InputFileExtension//'_assembly')
IO_open_inputFile = IO_abaqus_assembleInputFile(unit,unit+1) ! strip comments and concatenate any "include"s
close(unit+1)
else
open(unit,status='old',err=100,file=trim(getSolverWorkingDirectoryName())//&
trim(getSolverJobName())//InputFileExtension)
trim(getModelName())//InputFileExtension)
IO_open_inputFile = .true.
endif
@ -1142,10 +1142,12 @@ endfunction
case (45)
msg = 'error opening spectral loadcase'
case (46)
msg = 'missing parameter in spectral loadcase'
case (47)
msg = 'mask consistency violated in spectral loadcase'
case (47)
msg = 'negative time increment in spectral loadcase'
case (48)
msg = 'Non-positive increment in spectral loadcase'
case (49)
msg = 'Non-positive relative parameter for spectral method'
case (50)
msg = 'Error writing constitutive output description'
@ -1155,6 +1157,10 @@ endfunction
msg = 'Cannot open input file'
case (102)
msg = 'argument count error (mesh and loadcase) for mpie_spectral'
case (103)
msg = 'Resolution contains odd number'
case (104)
msg = 'FFTW init error'
case (105)
msg = 'Error reading from ODF file'
case (110)
@ -1308,6 +1314,9 @@ endfunction
case (700)
msg = 'Singular matrix in stress iteration'
case (800)
msg = 'Matrix inversion error'
! Error messages related to parsing of Abaqus input file
case (900)
msg = 'PARSE ERROR: Improper definition of nodes in input file (Nnodes < 2)'

BIN
code/libfftw3.a Normal file
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code/libfftw3_threads.a Normal file
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8
code/makefile
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@ -6,11 +6,13 @@
# Install fftw3 (v3.2.2 is tested) with "./configure --enable-threads" and "make", "make install" is not needed
# as long as the two library files are copied to the source code directory.
cpspectral.out: mpie_spectral.o CPFEM.a
ifort -openmp -o cpspectral.out mpie_spectral.o CPFEM.a libfftw3_threads.a libfftw3.a constitutive.a advanced.a basics.a -lpthread
cpspectral.exe: mpie_spectral.o CPFEM.a
ifort -openmp -o cpspectral.exe mpie_spectral.o CPFEM.a libfftw3_threads.a libfftw3.a constitutive.a advanced.a basics.a -lpthread
rm *.mod
mpie_spectral.o: mpie_spectral.f90 CPFEM.o
ifort -openmp -c -O3 -heap-arrays 500000000 mpie_spectral.f90
CPFEM.a: CPFEM.o
ar rc CPFEM.a homogenization.o homogenization_RGC.o homogenization_isostrain.o crystallite.o CPFEM.o constitutive.o

18
code/mpie_cpfem_abaqus_exp.f
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@ -24,7 +24,9 @@ character(len=4), parameter :: InputFileExtension = '.inp'
CONTAINS
!--------------------
subroutine mpie_interface_init()
!--------------------
write(6,*)
write(6,*) '<<<+- mpie_cpfem_abaqus init -+>>>'
write(6,*) '$Id$'
@ -32,7 +34,9 @@ subroutine mpie_interface_init()
return
end subroutine
!--------------------
function getSolverWorkingDirectoryName()
!--------------------
use prec
implicit none
character(1024) getSolverWorkingDirectoryName
@ -40,10 +44,21 @@ function getSolverWorkingDirectoryName()
getSolverWorkingDirectoryName=''
CALL VGETOUTDIR( getSolverWorkingDirectoryName, LENOUTDIR )
! write(6,*) 'getSolverWorkingDirectoryName', getSolverWorkingDirectoryName
end function
!--------------------
function getModelName()
!--------------------
character(1024) getModelName
getModelName = getSolverJobName()
end function
!--------------------
function getSolverJobName()
!--------------------
use prec
implicit none
@ -52,7 +67,6 @@ function getSolverJobName()
getSolverJobName=''
CALL VGETJOBNAME(getSolverJobName , LENJOBNAME )
! write(6,*) 'getSolverJobName', getSolverJobName
end function
END MODULE

16
code/mpie_cpfem_abaqus_std.f
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@ -24,7 +24,9 @@ character(len=4), parameter :: InputFileExtension = '.inp'
CONTAINS
!--------------------
subroutine mpie_interface_init()
!--------------------
write(6,*)
write(6,*) '<<<+- mpie_cpfem_abaqus init -+>>>'
write(6,*) '$Id$'
@ -32,7 +34,9 @@ subroutine mpie_interface_init()
return
end subroutine
!--------------------
function getSolverWorkingDirectoryName()
!--------------------
use prec
implicit none
character(1024) getSolverWorkingDirectoryName
@ -43,7 +47,19 @@ function getSolverWorkingDirectoryName()
! write(6,*) 'getSolverWorkingDirectoryName', getSolverWorkingDirectoryName
end function
!--------------------
function getModelName()
!--------------------
character(1024) getModelName
getModelName = getSolverJobName()
end function
!--------------------
function getSolverJobName()
!--------------------
use prec
implicit none

11
code/mpie_cpfem_marc.f90
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@ -71,6 +71,17 @@ function getSolverWorkingDirectoryName()
! write(6,*) 'getSolverWorkingDirectoryName', getSolverWorkingDirectoryName
end function
function getModelName()
use prec
implicit none
character(1024) getModelName
getModelName = getSolverJobName()
end function
function getSolverJobName()
use prec
implicit none

137
code/mpie_spectral.f90
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@ -30,7 +30,7 @@ program mpie_spectral
use math
use CPFEM, only: CPFEM_general, CPFEM_initAll
use numerics, only: err_div_tol, err_stress_tol, err_stress_tolrel, err_defgrad_tol,&
itmax, fast_execution, mpieNumThreadsInt
itmax, memory_efficient, mpieNumThreadsInt
use homogenization, only: materialpoint_sizeResults, materialpoint_results
!$ use OMP_LIB ! the openMP function library
@ -78,7 +78,7 @@ program mpie_spectral
complex(pReal), dimension(3,3) :: temp33_Complex
real(pReal), dimension(3,3) :: xinormdyad
real(pReal), dimension(:,:,:,:,:,:,:), allocatable :: gamma_hat
real(pReal), dimension(3) :: xi, xi_middle
real(pReal), dimension(3) :: xi, xi_central
integer(pInt), dimension(3) :: k_s
integer*8, dimension(2) :: plan_fft
@ -109,8 +109,9 @@ program mpie_spectral
! Reading the loadcase file and assign variables
path = getLoadcaseName()
print*,'Loadcase: ',trim(path)
print*,'Workingdir: ',trim(getSolverWorkingDirectoryName())
print '(a,/,a)', 'Loadcase: ',trim(path)
print '(a,/,a)', 'Workingdir: ',trim(getSolverWorkingDirectoryName())
print '(a,/,a)', 'SolverJobName: ',trim(getSolverJobName())
if (.not. IO_open_file(unit,path)) call IO_error(45,ext_msg = path)
@ -131,8 +132,6 @@ program mpie_spectral
N_n = N_n+1
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
enddo
101 N_Loadcases = N_l
@ -150,7 +149,7 @@ 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) ! ToDo: Add error message for case that information is not complete
posInput = IO_stringPos(line,maxNchunksInput)
do j = 1,maxNchunksInput,2
select case (IO_lc(IO_stringValue(line,posInput,j)))
case('l','velocitygrad')
@ -179,20 +178,22 @@ program mpie_spectral
200 close(unit)
do i = 1, N_Loadcases
if (any(bc_mask(:,:,1,i) == bc_mask(:,:,2,i))) call IO_error(47,i) ! bc_mask consistency
print '(a,/,3(3(f12.6,x)/))','L' ,math_transpose3x3(bc_velocityGrad(:,:,i))
print '(a,/,3(3(f12.6,x)/))','bc_stress',math_transpose3x3(bc_stress(:,:,i))
print '(a,/,3(3(l,x)/))', 'bc_mask for velocitygrad',transpose(bc_mask(:,:,1,i))
print '(a,/,3(3(l,x)/))', 'bc_mask for stress' ,transpose(bc_mask(:,:,2,i))
print *,'time',bc_timeIncrement(i)
print *,'incs',bc_steps(i)
if (any(bc_mask(:,:,1,i) == bc_mask(:,:,2,i))) call IO_error(46,i) ! bc_mask consistency
if (bc_timeIncrement(i) < 0.0_pReal) call IO_error(47,i) ! negative time increment forbidden
if (bc_steps(i) < 1_pInt) call IO_error(48,i) ! non-positive increments requested
print '(a,/,3(3(f12.6,x)/))','L:' ,math_transpose3x3(bc_velocityGrad(:,:,i))
print '(a,/,3(3(f12.6,x)/))','bc_stress:',math_transpose3x3(bc_stress(:,:,i))
print '(a,/,3(3(l,x)/))', 'bc_mask for velocitygrad:',transpose(bc_mask(:,:,1,i))
print '(a,/,3(3(l,x)/))', 'bc_mask for stress:' ,transpose(bc_mask(:,:,2,i))
print '(a,f12.6)','time: ',bc_timeIncrement(i)
print '(a,i5)','incs: ',bc_steps(i)
print *, ''
enddo
!read header of geom file to get the information needed before the complete geom file is intepretated by mesh.f90
path = getSolverJobName()
print*,'JobName: ',trim(path)
if (.not. IO_open_file(unit,trim(path)//InputFileExtension)) call IO_error(101,ext_msg = path)
path = getModelName()
print '(a,a)', 'GeomName: ',trim(path)
if (.not. IO_open_file(unit,trim(path)//InputFileExtension)) call IO_error(101,ext_msg = trim(path)//InputFileExtension)
rewind(unit)
do
@ -233,11 +234,11 @@ program mpie_spectral
enddo
100 close(unit)
if(mod(resolution(1),2)/=0 .or. mod(resolution(2),2)/=0 .or. mod(resolution(3),2)/=0) call IO_error(102) !!ToDo: add correct error to IO
if(mod(resolution(1),2)/=0 .or. mod(resolution(2),2)/=0 .or. mod(resolution(3),2)/=0) call IO_error(103)
print '(a,/,i4,i4,i4)','resolution a b c', resolution
print '(a,/,f6.1,f6.1,f6.1)','dimension x y z', geomdimension
print *,'homogenization',homog
print '(a,/,i4,i4,i4)','resolution a b c:', resolution
print '(a,/,f6.1,f6.1,f6.1)','dimension x y z:', geomdimension
print '(a,i4)','homogenization: ',homog
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
@ -261,10 +262,12 @@ program mpie_spectral
c066 = c066 * wgt
c0 = math_mandel66to3333(c066)
call math_invert(6, c066, s066,i, errmatinv)
if(errmatinv) call IO_error(800) !Matrix inversion error
s0 = math_mandel66to3333(s066)
!calculation of calculate gamma_hat field in the case of fast execution (needs a lot of memory)
if(fast_execution) then
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
else ! precalculation of gamma_hat field
allocate (gamma_hat(resolution(1)/2+1,resolution(2),resolution(3),3,3,3,3)); gamma_hat = 0.0_pReal
do k = 1, resolution(3)
k_s(3) = k-1
@ -280,32 +283,31 @@ program mpie_spectral
xi(1) = real(k_s(1), pReal)/geomdimension(1)
if (any(xi /= 0.0_pReal)) then
do l = 1,3; do m = 1,3
xinormdyad(l,m) = xi(l)*xi(m)/sum(xi**2)
xinormdyad(l,m) = xi(l)*xi(m)/sum(xi**2)
enddo; enddo
temp33_Real = math_inv3x3(math_mul3333xx33(c0, xinormdyad))
else
xinormdyad = 0.0_pReal
xinormdyad = 0.0_pReal
temp33_Real = 0.0_pReal
endif
temp33_Real = math_mul3333xx33(c0, xinormdyad)
temp33_Real = math_inv3x3(temp33_Real)
do l=1,3; do m=1,3; do n=1,3; do p=1,3
gamma_hat(i,j,k, l,m,n,p) = - (0.5*temp33_Real(l,n)+0.5*temp33_Real(n,l)) *&
(0.5*xinormdyad(m,p)+0.5*xinormdyad(p,m))
gamma_hat(i,j,k, l,m,n,p) = - 0.25*(temp33_Real(l,n)+temp33_Real(n,l)) *&
(xinormdyad(m,p)+xinormdyad(p,m))
enddo; enddo; enddo; enddo
enddo; enddo; enddo
else ! or allocate just one fourth order tensor
allocate (gamma_hat(1,1,1,3,3,3,3)); gamma_hat = 0.0_pReal
endif
! calculate xi for the calculation of divergence in Fourier space (middle frequency)
xi_middle(3) = 0.0_pReal !2D case
if(resolution(3) > 1) xi_middle(3) = real(resolution(3)/2, pReal)/geomdimension(3) !3D case
xi_middle(2) = real(resolution(2)/2, pReal)/geomdimension(2)
xi_middle(1) = real(resolution(1)/2, pReal)/geomdimension(1)
! calculate xi for the calculation of divergence in Fourier space (central frequency)
xi_central(3) = 0.0_pReal !2D case
if(resolution(3) > 1) xi_central(3) = real(resolution(3)/2, pReal)/geomdimension(3) !3D case
xi_central(2) = real(resolution(2)/2, pReal)/geomdimension(2)
xi_central(1) = real(resolution(1)/2, pReal)/geomdimension(1)
allocate (workfft(resolution(1)+2,resolution(2),resolution(3),3,3)); workfft = 0.0_pReal
! Initialization of fftw (see manual on fftw.org for more details)
call dfftw_init_threads(ierr) !toDo: add error code
call dfftw_init_threads(ierr)
if(ierr == 0) call IO_error(104,ierr)
call dfftw_plan_with_nthreads(mpieNumThreadsInt)
call dfftw_plan_many_dft_r2c(plan_fft(1),3,(/resolution(1),resolution(2),resolution(3)/),9,&
workfft,(/resolution(1) +2,resolution(2),resolution(3)/),1,(resolution(1) +2)*resolution(2)*resolution(3),&
@ -316,7 +318,6 @@ program mpie_spectral
! write header of output file
open(538,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())&
//'_'//trim(getLoadcase())&
//'.spectralOut',form='UNFORMATTED')
write(538), 'load',trim(getLoadcaseName())
write(538), 'workingdir',trim(getSolverWorkingDirectoryName())
@ -436,10 +437,10 @@ program mpie_spectral
enddo; enddo
err_div = 2 * 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)/))', ' Cauchy Stress [MPa]: ' ,math_transpose3x3(cstress_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*0.8
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient:',math_transpose3x3(defgrad_av)
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress / MPa: ' ,math_transpose3x3(cstress_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*0.8
if(err_stress < err_stress_tol*0.8) then
calcmode = 1_pInt
endif
@ -457,10 +458,11 @@ program mpie_spectral
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(2,&
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),&
temperature,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
@ -476,20 +478,10 @@ program mpie_spectral
sigma0 = max(sigma0, sum(abs(workfft(1,1,1,m,:) + (workfft(2,1,1,m,:))*img)))
enddo
err_div = (maxval(abs(math_mul33x3_complex(workfft(resolution(1)+1,resolution(2)/2+1,resolution(3)/2+1,:,:)+& ! L infinity Norm of div(stress)
workfft(resolution(1)+2,resolution(2)/2+1,resolution(3)/2+1,:,:)*img,xi_middle))))
workfft(resolution(1)+2,resolution(2)/2+1,resolution(3)/2+1,:,:)*img,xi_central))))
err_div = err_div/sigma0 !weighting of error
if(fast_execution) then ! fast execution with stored gamma_hat
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
do m = 1,3; do n = 1,3
temp33_Complex(m,n) = sum(gamma_hat(i,j,k, m,n,:,:) *(workfft(i*2-1,j,k,:,:)&
+ workfft(i*2 ,j,k,:,:)*img))
enddo; enddo
workfft(i*2-1,j,k,:,:) = real (temp33_Complex)
workfft(i*2 ,j,k,:,:) = aimag(temp33_Complex)
enddo; enddo; enddo
else ! memory saving version, in-time calculation of gamma_hat
if(memory_efficient) then ! memory saving version, in-time calculation of gamma_hat
do k = 1, resolution(3)
k_s(3) = k-1
if(k > resolution(3)/2+1) k_s(3) = k_s(3)-resolution(3)
@ -501,19 +493,19 @@ program mpie_spectral
xi(3) = 0.0_pReal !for the 2D case
if(resolution(3) > 1) xi(3) = real(k_s(3), pReal)/geomdimension(3) !3D case
xi(2) = real(k_s(2), pReal)/geomdimension(2)
xi(1) = real(k_s(1), pReal)/geomdimension(1)
xi(1) = real(k_s(1), pReal)/geomdimension(1)
if (any(xi(:) /= 0.0_pReal)) then
do l = 1,3; do m = 1,3
xinormdyad(l,m) = xi(l)*xi( m)/sum(xi**2)
xinormdyad(l,m) = xi(l)*xi(m)/sum(xi**2)
enddo; enddo
temp33_Real = math_inv3x3(math_mul3333xx33(c0, xinormdyad))
else
xinormdyad = 0.0_pReal
temp33_Real = 0.0_pReal
endif
temp33_Real = math_mul3333xx33(c0, xinormdyad)
temp33_Real = math_inv3x3(temp33_Real)
do l=1,3; do m=1,3; do n=1,3; do p=1,3
gamma_hat(1,1,1, l,m,n,p) = - (0.5*temp33_Real(l,n)+0.5*temp33_Real(n,l))*&
(0.5*xinormdyad(m,p) +0.5*xinormdyad(p,m))
gamma_hat(1,1,1, l,m,n,p) = - 0.25_pReal*(temp33_Real(l,n)+temp33_Real(n,l))*&
(xinormdyad(m,p) +xinormdyad(p,m))
enddo; enddo; enddo; enddo
do m = 1,3; do n = 1,3
temp33_Complex(m,n) = sum(gamma_hat(1,1,1,m,n,:,:) *(workfft(i*2-1,j,k,:,:)&
@ -522,6 +514,15 @@ program mpie_spectral
workfft(i*2-1,j,k,:,:) = real (temp33_Complex)
workfft(i*2 ,j,k,:,:) = aimag(temp33_Complex)
enddo; enddo; enddo
else !use precalculated gamma-operator
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
do m = 1,3; do n = 1,3
temp33_Complex(m,n) = sum(gamma_hat(i,j,k, m,n,:,:) *(workfft(i*2-1,j,k,:,:)&
+ workfft(i*2 ,j,k,:,:)*img))
enddo; enddo
workfft(i*2-1,j,k,:,:) = real (temp33_Complex)
workfft(i*2 ,j,k,:,:) = aimag(temp33_Complex)
enddo; enddo; enddo
endif
workfft(1,1,1,:,:) = defgrad_av - math_I3 !zero frequency (real part)
@ -538,9 +539,9 @@ program mpie_spectral
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
print '(2(a,E8.2))', ' error deformation gradient ',err_defgrad,' Tol. = ', err_defgrad_tol
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
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_pInt
@ -552,10 +553,10 @@ program mpie_spectral
write(538) materialpoint_results(:,1,:) !write to output file
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 Gradient: ',math_transpose3x3(defgrad_av)
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',math_transpose3x3(cstress_av)/1.e6
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 Gradient:',math_transpose3x3(defgrad_av)
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress / MPa: ',math_transpose3x3(cstress_av)/1.e6
print '(A)', '************************************************************'
enddo ! end looping over steps in current loadcase
enddo ! end looping over loadcases

31
code/mpie_spectral_interface.f90
View File

@ -59,28 +59,43 @@ function getSolverJobName()
implicit none
character(1024) getSolverJobName, outName, cwd
character(1024) getSolverJobName
getSolverJobName = trim(getModelName())//'_'//trim(getLoadCase())
endfunction
!********************************************************************
! basename of geometry file from command line arguments
!
!********************************************************************
function getModelName()
use prec, only: pInt
implicit none
character(1024) getModelName, outName, cwd
character(len=*), parameter :: pathSep = achar(47)//achar(92) ! /, \
integer(pInt) posExt,posSep
getSolverJobName = ''
getModelName = ''
call getarg(1,outName)
posExt = scan(outName,'.',back=.true.)
posSep = scan(outName,pathSep,back=.true.)
if (posExt <= posSep) posExt = len_trim(outName)+1 ! no extension present
getSolverJobName = outName(1:posExt-1) ! path to geometry file (excl. extension)
getModelName = outName(1:posExt-1) ! path to geometry file (excl. extension)
if (scan(getSolverJobName,pathSep) /= 1) then ! relative path given as command line argument
if (scan(getModelName,pathSep) /= 1) then ! relative path given as command line argument
call getcwd(cwd)
getSolverJobName = rectifyPath(trim(cwd)//'/'//getSolverJobName)
getModelName = rectifyPath(trim(cwd)//'/'//getModelName)
else
getSolverJobName = rectifyPath(getSolverJobName)
getModelName = rectifyPath(getModelName)
endif
getSolverJobName = makeRelativePath(getSolverWorkingDirectoryName(),&
getSolverJobName)
getModelName = makeRelativePath(getSolverWorkingDirectoryName(),&
getModelName)
return
endfunction

30
code/numerics.f90
View File

@ -50,7 +50,7 @@ real(pReal) relevantStrain, & ! strain
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_defgrad_tol ! tolerance for error of defgrad compared to prescribed defgrad
logical fast_execution ! 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
@ -94,7 +94,7 @@ subroutine numerics_init()
character(len=1024) line
! OpenMP variable
!$ character(len=2) mpieNumThreadsString !enironment variable MPIE_NUMTHREADS
!$ character(len=4) mpieNumThreadsString !environment variable MPIE_NUMTHREADS
write(6,*)
write(6,*) '<<<+- numerics init -+>>>'
@ -142,11 +142,11 @@ subroutine numerics_init()
volDiscrPow_RGC = 5.0
!* spectral parameters:
err_div_tol = 1.0e-4
err_defgrad_tol = 1.0e-3
err_stress_tolrel = 0.01
itmax = 20_pInt
fast_execution = .false.
err_div_tol = 1.0e-4 ! proposed by Suquet, less strict criteria are usefull, e.g. 5e-3
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
itmax = 20_pInt ! Maximum iteration number
memory_efficient = .true. ! Precalculate Gamma-operator (81 double per point)
!* Random seeding parameters: added <<<updated 27.08.2009>>>
fixedSeed = 0_pInt
@ -154,7 +154,7 @@ subroutine numerics_init()
!* determin number of threads from environment variable MPIE_NUM_THREADS
!$ call GetEnv('MPIE_NUM_THREADS',mpieNumThreadsString) ! get environment variable MPIE_NUM_THREADS...
!$ read(mpieNumThreadsString,'(i2)') mpieNumThreadsInt ! ...convert it to integer...
!$ read(mpieNumThreadsString,'(i4)') mpieNumThreadsInt ! ...convert it to integer...
!$ if (mpieNumThreadsInt < 1) mpieNumThreadsInt = 1 ! ...ensure that its at least one...
!$ call omp_set_num_threads(mpieNumThreadsInt) ! ...and use it as number of threads for parallel execution
@ -256,8 +256,8 @@ subroutine numerics_init()
err_stress_tolrel = IO_floatValue(line,positions,2)
case ('itmax')
itmax = IO_intValue(line,positions,2)
case ('fast_execution')
fast_execution = IO_intValue(line,positions,2) > 0_pInt
case ('memory_efficient')
memory_efficient = IO_intValue(line,positions,2) > 0_pInt
!* Random seeding parameters
case ('fixed_seed')
@ -322,7 +322,7 @@ subroutine numerics_init()
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,i8)') 'itmax: ',itmax
write(6,'(a24,x,L8)') 'fast_execution: ',fast_execution
write(6,'(a24,x,L8)') 'memory_efficient: ',memory_efficient
write(6,*)
!* Random seeding parameters
@ -377,10 +377,10 @@ subroutine numerics_init()
if (volDiscrPow_RGC <= 0.0_pReal) call IO_error(289)
!* spectral parameters
if (err_div_tol <= 0.0_pReal) call IO_error(48)
if (err_defgrad_tol <= 0.0_pReal) call IO_error(48)
if (err_stress_tolrel <= 0.0_pReal) call IO_error(48)
if (itmax <= 1.0_pInt) call IO_error(48)
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 (itmax <= 1.0_pInt) call IO_error(49)
if (fixedSeed <= 0_pInt) write(6,'(a)') 'Random is random!'
endsubroutine