final merge with edits dropped intermediately from rev 1190.
This commit is contained in:
Philip Eisenlohr
parent
7ed2c19d0f
commit
ab7b9247c7
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@ -352,10 +352,7 @@ program DAMASK_spectral
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print '(a)', '#############################################################'
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print '(a,a)', 'loadcase file: ',trim(getLoadcaseName())
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if (bc(1)%followFormerTrajectory) then
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call IO_warning(warning_ID = 33_pInt) ! cannot guess along trajectory for first inc of first loadcase
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bc(1)%followFormerTrajectory = .false.
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endif
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bc(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first loadcase
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! --- consistency checks and output of loadcase
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@ -398,7 +395,7 @@ program DAMASK_spectral
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> reshape(spread(rotation_tol,1,9),(/3,3/)))&
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.or. abs(math_det3x3(bc(loadcase)%rotation)) > 1.0_pReal + rotation_tol) &
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errorID = 46_pInt ! given rotation matrix contains strain
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if (bc(loadcase)%time < 0.0_pReal) errorID = 34_pInt ! negative time increment
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if (bc(loadcase)%time < 0.0_pReal) errorID = 34_pInt ! negative time increment
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if (bc(loadcase)%incs < 1_pInt) errorID = 35_pInt ! non-positive incs count
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if (bc(loadcase)%outputfrequency < 1_pInt) errorID = 36_pInt ! non-positive result frequency
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if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string)
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@ -432,25 +429,25 @@ program DAMASK_spectral
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allocate (c_reduced(size_reduced,size_reduced)); c_reduced = 0.0_pReal
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allocate (s_reduced(size_reduced,size_reduced)); s_reduced = 0.0_pReal
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timeinc = bc(loadcase)%time/bc(loadcase)%incs ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
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timeinc = bc(loadcase)%time/bc(loadcase)%incs ! only valid for given linear time scale. will be overwritten later in case logarithmic scale is used
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fDot = bc(loadcase)%deformation ! only valid for given fDot. will be overwritten later in case L is given
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fDot = bc(loadcase)%deformation ! only valid for given fDot. will be overwritten later in case L is given
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!*************************************************************
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! loop oper incs defined in input file for current loadcase
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do inc = 1_pInt, bc(loadcase)%incs
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!*************************************************************
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! forwarding time
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if (bc(loadcase)%logscale == 1_pInt) then ! loglinear scale
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if (loadcase == 1_pInt) then ! 1st loadcase of loglinear scale
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if (inc == 1_pInt) then ! 1st inc of 1st loadcase of loglinear scale
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if (bc(loadcase)%logscale == 1_pInt) then ! logarithmic scale
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if (loadcase == 1_pInt) then ! 1st loadcase of logarithmic scale
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if (inc == 1_pInt) then ! 1st inc of 1st loadcase of logarithmic scale
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timeinc = bc(1)%time*(2.0_pReal**real( 1_pInt-bc(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
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else ! not-1st inc of 1st loadcase of loglinear scale
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else ! not-1st inc of 1st loadcase of logarithmic scale
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timeinc = bc(1)%time*(2.0_pReal**real(inc-1_pInt-bc(1)%incs ,pReal))
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endif
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else ! not-1st loadcase of logarithmic scale
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timeinc = time0 *( (1.0_pReal + bc(loadcase)%time/time0 )**real( inc/bc(loadcase)%incs ,pReal) &
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-(1.0_pReal + bc(loadcase)%time/time0 )**real( (inc-1_pInt)/bc(loadcase)%incs ,pReal) )
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timeinc = time0 *( (1.0_pReal + bc(loadcase)%time/time0 )**(real( inc,pReal)/real(bc(loadcase)%incs ,pReal)) &
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-(1.0_pReal + bc(loadcase)%time/time0 )**(real( (inc-1_pInt),pReal)/real(bc(loadcase)%incs ,pReal)) )
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endif
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endif
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time = time + timeinc
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@ -558,9 +555,9 @@ program DAMASK_spectral
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!remove the given highest frequencies for calculation of the gamma operator
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cutting_freq = (/0_pInt,0_pInt,0_pInt/) ! for 0,0,0, just the highest freq. is removed
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do k = 1_pInt ,res(3); do j = 1_pInt ,res(2); do i = 1_pInt, res1_red
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if((k .gt. res(3)/2_pInt - cutting_freq(3)).and.(k .le. res(3)/2_pInt + 1_pInt + cutting_freq(3))) xi(3,i,j,k)= 0.0_pReal
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if((j .gt. res(2)/2_pInt - cutting_freq(2)).and.(j .le. res(2)/2_pInt + 1_pInt + cutting_freq(2))) xi(2,i,j,k)= 0.0_pReal
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if((i .gt. res(1)/2_pInt - cutting_freq(1)).and.(i .le. res(1)/2_pInt + 1_pInt + cutting_freq(1))) xi(1,i,j,k)= 0.0_pReal
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if((k > res(3)/2_pInt - cutting_freq(3)).and.(k <= res(3)/2_pInt + 1_pInt + cutting_freq(3))) xi(3,i,j,k)= 0.0_pReal
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if((j > res(2)/2_pInt - cutting_freq(2)).and.(j <= res(2)/2_pInt + 1_pInt + cutting_freq(2))) xi(2,i,j,k)= 0.0_pReal
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if((i > res(1)/2_pInt - cutting_freq(1)).and.(i <= res(1)/2_pInt + 1_pInt + cutting_freq(1))) xi(1,i,j,k)= 0.0_pReal
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enddo; enddo; enddo
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if(memory_efficient) then ! allocate just single fourth order tensor
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@ -665,7 +662,7 @@ program DAMASK_spectral
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iter = 0_pInt
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err_div = 2.0_pReal * err_div_tol ! go into loop
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! c_prev = math_rotate_forward3x3x3x3(c_current*wgt,bc(loadcase)%rotation) ToDo: ask Philip ! calculate stiffness from former inc
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c_prev = math_rotate_forward3x3x3x3(c_current*wgt,bc(loadcase)%rotation) ! calculate stiffness from former inc
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if(size_reduced > 0_pInt) then ! calculate compliance in case stress BC is applied
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c_prev99 = math_Plain3333to99(c_prev)
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k = 0_pInt ! build reduced stiffness
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@ -698,7 +695,7 @@ program DAMASK_spectral
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print '(a)', '#############################################################'
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print '(A,I5.5,A,es12.6)', 'Increment ', totalIncsCounter, ' Time ',time
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if (restartWrite ) then
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print '(A)', 'writing converged results of previous inc for restart'
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print '(A)', 'writing converged results of previous increment for restart'
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if(IO_write_jobBinaryFile(777,'convergedSpectralDefgrad',size(defgrad))) then ! and writing deformation gradient field to file
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write (777,rec=1) defgrad
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close (777)
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@ -715,7 +712,7 @@ program DAMASK_spectral
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print '(a)', ''
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print '(a)', '============================================================='
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print '(5(a,i5.5))', 'Loadcase ',loadcase,' Increment ',inc,'/',bc(loadcase)%incs,'@Iteration ',iter,'/',itmax
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print '(5(a,i6.6))', 'Loadcase ',loadcase,' Increment ',inc,'/',bc(loadcase)%incs,' @ Iteration ',iter,'/',itmax
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do n = 1_pInt,3_pInt; do m = 1_pInt,3_pInt
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defgrad_av_lab(m,n) = sum(defgrad(1:res(1),1:res(2),1:res(3),m,n)) * wgt
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enddo; enddo
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@ -737,8 +734,8 @@ program DAMASK_spectral
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c_current = 0.0_pReal
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ielem = 0_pInt
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if (debugFFTW) then
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row = (mod(totalIncsCounter+iter+7_pInt,9_pInt))/3_pInt + 1_pInt ! go through the elements of the tensors, controlled by totalIncsCounter and iter, starting at 1
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column = (mod(totalIncsCounter+iter+1_pInt,3_pInt)) + 1_pInt
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row = (mod(totalIncsCounter+iter-2_pInt,9_pInt))/3_pInt + 1_pInt ! go through the elements of the tensors, controlled by totalIncsCounter and iter, starting at 1
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column = (mod(totalIncsCounter+iter-2_pInt,3_pInt)) + 1_pInt
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endif
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do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
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@ -975,8 +972,8 @@ program DAMASK_spectral
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!$OMP CRITICAL (write2out)
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print '(a)', ''
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print '(a)', '#############################################################'
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print '(a,i5.5,a,i5.5,a)', 'of ', totalIncsCounter - restartReadInc + 1_pInt, ' calculated increments, ',&
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notConvergedCounter, ' increments did not converge!'
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print '(i6.6,a,i6.6,a)', notConvergedCounter, ' out of ', &
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totalIncsCounter - restartReadInc + 1_pInt, ' increments did not converge!'
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!$OMP END CRITICAL (write2out)
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close(538)
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call fftw_destroy_plan(fftw_stress); call fftw_destroy_plan(fftw_fluctuation)
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