changed wildcard letter from '#' to '*' now consistent with new IO comment parsing.
fixed memory bug with bc_maskvector. some brushing up here and there...
This commit is contained in:
Philip Eisenlohr
parent
ae4c8fa2d8
commit
4a694fa7fd
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@ -109,14 +109,14 @@ program DAMASK_spectral
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integer(pInt) loadcase, ielem, iter, calcmode, CPFEM_mode, ierr
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logical errmatinv
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real(pReal) temperature ! not used, but needed for call to CPFEM_general
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real(pReal) temperature ! not used, but needed for call to CPFEM_general
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!Initializing
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!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution set by MPIE_NUM_THREADS
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!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution set by DAMASK_NUM_THREADS
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bc_maskvector = ''
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bc_maskvector = .false.
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unit = 234_pInt
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ones = 1.0_pReal; zeroes = 0.0_pReal
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ones = 1.0_pReal; zeroes = 0.0_pReal
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img = cmplx(0.0,1.0)
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N_l = 0_pInt; N_s = 0_pInt
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@ -175,7 +175,7 @@ program DAMASK_spectral
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select case (IO_lc(IO_stringValue(line,posInput,j)))
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case('l','velocitygrad')
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valuevector = 0.0_pReal
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forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '#'
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forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '*'
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do k = 1,9
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if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k) ! assign values for the velocity gradient matrix
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enddo
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@ -183,7 +183,7 @@ program DAMASK_spectral
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bc_velocityGrad(:,:,i) = math_transpose3x3(reshape(valuevector,(/3,3/)))
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case('s','stress')
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valuevector = 0.0_pReal
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forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '#'
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forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '*'
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do k = 1,9
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if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k) ! assign values for the bc_stress matrix
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enddo
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@ -199,7 +199,7 @@ program DAMASK_spectral
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200 close(unit)
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do i = 1, N_Loadcases ! consistency checks
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if (any(bc_mask(:,:,1,i) == bc_mask(:,:,2,i))) call IO_error(46,i) ! exclisive or masking only
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if (any(bc_mask(:,:,1,i) == bc_mask(:,:,2,i))) call IO_error(46,i) ! exclusive or masking only
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if (bc_timeIncrement(i) < 0.0_pReal) call IO_error(47,i) ! negative time increment
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if (bc_steps(i) < 1_pInt) call IO_error(48,i) ! non-positive increment count
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print '(a,/,3(3(f12.6,x)/))','L:' ,math_transpose3x3(bc_velocityGrad(:,:,i))
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@ -397,8 +397,8 @@ program DAMASK_spectral
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!*************************************************************
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! convergence loop
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do while(iter < itmax .and. &
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(err_div > err_div_tol .or. &
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err_stress > err_stress_tol .or. &
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(err_div > err_div_tol .or. &
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err_stress > err_stress_tol .or. &
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err_defgrad > err_defgrad_tol))
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iter = iter + 1_pInt
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print*, ' '
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@ -414,7 +414,8 @@ program DAMASK_spectral
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ielem = 0_pInt
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do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
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ielem = ielem + 1
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call CPFEM_general(3, coordinates(1:3,i,j,k), defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),&
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call CPFEM_general(3,& ! collect cycle
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coordinates(1:3,i,j,k), defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),&
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temperature,timeinc,ielem,1_pInt,&
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cstress,dsde, pstress, dPdF)
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enddo; enddo; enddo
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@ -428,14 +429,14 @@ program DAMASK_spectral
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temperature,timeinc,ielem,1_pInt,&
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cstress,dsde, pstress, dPdF)
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CPFEM_mode = 2_pInt
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workfft(i,j,k,:,:) = pstress
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cstress_av = cstress_av + math_mandel6to33(cstress)
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workfft(i,j,k,:,:) = pstress ! prepare Fourier transform of first P--K stress
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cstress_av = cstress_av + math_mandel6to33(cstress) ! build up average Cauchy stress
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enddo; enddo; enddo
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cstress_av = cstress_av * wgt
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do m = 1,3; do n = 1,3
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pstress_av(m,n) = sum(workfft(1:resolution(1),:,:,m,n)) * wgt
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defgrad_av(m,n) = sum(defgrad(:,:,:,m,n)) * wgt
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do n = 1,3; do m = 1,3
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pstress_av(m,n) = sum(workfft(1:resolution(1),1:resolution(2),1:resolution(3),m,n)) * wgt
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defgrad_av(m,n) = sum(defgrad(1:resolution(1),1:resolution(2),1:resolution(3),m,n)) * wgt
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enddo; enddo
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err_stress = maxval(abs(mask_stress * (pstress_av - bc_stress(:,:,loadcase))))
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@ -445,7 +446,7 @@ program DAMASK_spectral
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defgradAimCorrPrev = defgradAimCorr
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defgradAimCorr = -mask_stress * math_mul3333xx33(s0, (mask_stress*(pstress_av - bc_stress(:,:,loadcase))))
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do m=1,3; do n =1,3 ! calculate damper (correction is far to strong)
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do m=1,3; do n =1,3 ! calculate damper (correction is far too strong)
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if ( sign(1.0_pReal,defgradAimCorr(m,n))/=sign(1.0_pReal,defgradAimCorrPrev(m,n))) then
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damper(m,n) = max(0.01_pReal,damper(m,n)*0.8)
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else
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@ -461,7 +462,7 @@ program DAMASK_spectral
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err_div = 2 * err_div_tol
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err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
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print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient:',math_transpose3x3(defgrad_av)
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print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress / MPa: ' ,math_transpose3x3(cstress_av)/1.e6
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print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress / MPa: ',math_transpose3x3(cstress_av)/1.e6
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print '(2(a,E8.2))', ' error stress: ',err_stress, ' Tol. = ', err_stress_tol
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print '(2(a,E8.2))', ' error deformation gradient: ',err_defgrad,' Tol. = ', err_defgrad_tol*0.8
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if(err_stress < err_stress_tol*0.8) then
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@ -491,15 +492,15 @@ program DAMASK_spectral
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cstress_av = cstress_av + math_mandel6to33(cstress)
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enddo; enddo; enddo
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cstress_av = cstress_av * wgt
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do m = 1,3; do n = 1,3
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pstress_av(m,n) = sum(workfft(1:resolution(1),:,:,m,n))*wgt
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do n = 1,3; do m = 1,3
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pstress_av(m,n) = sum(workfft(1:resolution(1),1:resolution(2),1:resolution(3),m,n)) * wgt
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enddo; enddo
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print *, 'Calculating equilibrium using spectral method'
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err_div = 0.0_pReal; sigma0 = 0.0_pReal
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call dfftw_execute_dft_r2c(plan_fft(1),workfft,workfft) ! FFT of pstress
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do m = 1,3 ! L infinity Norm of stress tensor
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sigma0 = max(sigma0, sum(abs(workfft(1,1,1,m,:) + (workfft(2,1,1,m,:))*img)))
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sigma0 = max(sigma0, sum(abs(workfft(1,1,1,m,:) + workfft(2,1,1,m,:)*img)))
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enddo
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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)
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workfft(resolution(1)+2,resolution(2)/2+1,resolution(3)/2+1,:,:)*img,xi_central))))
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