mainly fixed error in output of spectral results (1:N,…) instead of (N,…)
rearranged some logic here and there. (hopefully) improved readability of debug/standard output. restarting logic would need some discussion with Martin/Krishna still…
This commit is contained in:
Philip Eisenlohr
parent
9d3f7b8d3d
commit
efadf9f728
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@ -96,8 +96,9 @@ program DAMASK_spectral
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! variables storing information from geom file
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real(pReal) :: wgt
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real(pReal), dimension(3) :: geomdimension = 0.0_pReal ! physical dimension of volume element in each direction
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integer(pInt) :: homog ! homogenization scheme used
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real(pReal), dimension(3) :: geomdimension = 0.0_pReal ! physical dimension of volume element per direction
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integer(pInt) :: Npoints,& ! number of Fourier points
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homog ! homogenization scheme used
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integer(pInt), dimension(3) :: res = 1_pInt ! resolution (number of Fourier points) in each direction
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logical :: spectralPictureMode = .false. ! indicating 1 to 1 mapping of FP to microstructure
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@ -132,19 +133,19 @@ program DAMASK_spectral
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real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeroes = 0.0_pReal
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complex(pReal), dimension(3,3) :: temp33_Complex
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real(pReal), dimension(3,3) :: temp33_Real
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integer(pInt) :: i, j, k, l, m, n, p
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integer(pInt) :: i, j, k, l, m, n, p, errorID
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integer(pInt) :: N_Loadcases, loadcase, step, iter, ielem, CPFEM_mode, &
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ierr, notConvergedCounter = 0_pInt, totalStepsCounter = 0_pInt
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logical :: errmatinv, regrid = .false.
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real(pReal) :: defgradDet, defgradDetMax, defgradDetMin
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real(pReal) :: correctionFactor
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! debuging variables
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! --- debugging variables
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real(pReal), dimension(:,:,:,:), allocatable :: divergence
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real(pReal) :: p_real_avg, err_div_max, err_real_div_avg, err_real_div_max
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logical :: debugGeneral = .false., debugDivergence = .false., debugRestart = .false.
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! initialize default value for loadcase
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! --- initialize default value for loadcase
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bc_init%deformation = zeroes; bc_init%stress = zeroes; bc_init%rotation = zeroes
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bc_init%timeIncrement = 0.0_pReal; bc_init%temperature = 300.0_pReal
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bc_init%steps = 0_pInt; bc_init%logscale = 0_pInt
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@ -154,14 +155,13 @@ program DAMASK_spectral
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bc_init%followFormerTrajectory = .true.
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bc_init%rotation = math_I3 ! assume no rotation
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! Initializing model size independed parameters
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! --- initializing model size independed parameters
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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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if (.not.(command_argument_count()==4 .or. command_argument_count()==6)) &! check for correct number of given arguments
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call IO_error(error_ID=102_pInt)
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call DAMASK_interface_init()
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!$OMP CRITICAL (write2out)
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print '(a)', ''
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print '(a,a)', ' <<<+- DAMASK_spectral init -+>>>'
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print '(a,a)', ' $Id$'
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@ -169,7 +169,6 @@ program DAMASK_spectral
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print '(a,a)', ' Working Directory: ',trim(getSolverWorkingDirectoryName())
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print '(a,a)', ' Solver Job Name: ',trim(getSolverJobName())
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print '(a)', ''
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!$OMP END CRITICAL (write2out)
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! Reading the loadcase file and allocate variables for loadcases
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path = getLoadcaseName()
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@ -199,7 +198,7 @@ program DAMASK_spectral
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allocate (bc(N_Loadcases))
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! Reading the loadcase and assign values to the allocated data structure
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! --- reading the loadcase and assign values to the allocated data structure
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rewind(myUnit)
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loadcase = 0_pInt
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do
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@ -267,7 +266,7 @@ program DAMASK_spectral
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101 close(myUnit)
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!read header of geom file to get the information needed before the complete geom file is intepretated by mesh.f90
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! --- read header of geom file to get the information needed before the complete geom file is intepretated by mesh.f90
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path = getModelName()
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if (.not. IO_open_file(myUnit,trim(path)//InputFileExtension))&
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@ -325,94 +324,83 @@ program DAMASK_spectral
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mod(res(2),2_pInt)/=0_pInt .or.&
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(mod(res(3),2_pInt)/=0_pInt .and. res(3)/= 1_pInt)) call IO_error(error_ID = 103_pInt)
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! Initialization of CPFEM_general (= constitutive law)
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Npoints = res(1)*res(2)*res(3)
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! --- initialization of CPFEM_general (= constitutive law)
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call CPFEM_initAll(bc(1)%temperature,1_pInt,1_pInt)
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! Get debugging parameters
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! --- debugging parameters
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if (iand(spectral_debug_verbosity,1_pInt)==1_pInt) debugGeneral = .true.
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if (iand(spectral_debug_verbosity,2_pInt)==2_pInt) debugDivergence = .true.
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if (iand(spectral_debug_verbosity,4_pInt)==4_pInt) debugRestart = .true.
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!Output of geometry
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!$OMP CRITICAL (write2out)
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! --- output of geometry
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print '(a)', ''
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print '(a)', '#############################################################'
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print '(a)', 'DAMASK spectral:'
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print '(a)', 'The spectral method boundary value problem solver for'
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print '(a)', 'the Duesseldorf Advanced Material Simulation Kit'
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print '(a)', '#############################################################'
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print '(a,a)', 'Geom File Name: ',trim(path)//'.geom'
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print '(a,a)', 'geometry file: ',trim(path)//'.geom'
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print '(a)', '============================================================='
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print '(a,i12,i12,i12)','resolution a b c:', res
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print '(a,f12.5,f12.5,f12.5)','dimension x y z:', geomdimension
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print '(a,i5)','homogenization: ',homog
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print '(a,L)', 'spectralPictureMode: ',spectralPictureMode
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print '(a)', '#############################################################'
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print '(a,a)','Loadcase File Name: ',trim(getLoadcaseName())
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!$OMP END CRITICAL (write2out)
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print '(a,a)', 'loadcase file: ',trim(getLoadcaseName())
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if (bc(1)%followFormerTrajectory) then
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call IO_warning(warning_ID = 33_pInt) ! cannot guess along trajectory for first step of first loadcase
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bc(1)%followFormerTrajectory = .false.
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endif
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! consistency checks and output of loadcase
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! --- consistency checks and output of loadcase
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errorID = 0_pInt
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do loadcase = 1_pInt, N_Loadcases
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!$OMP CRITICAL (write2out)
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print '(a)', '============================================================='
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print '(a,i5)', 'Loadcase: ', loadcase
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write (loadcase_string, '(i3)' ) loadcase
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if (.not. bc(loadcase)%followFormerTrajectory) &
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print '(a)', 'Drop Guessing Along Trajectory'
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!$OMP END CRITICAL (write2out)
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if (any(bc(loadcase)%maskStress .eqv. bc(loadcase)%maskDeformation))& ! exclusive or masking only
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call IO_error(error_ID=31_pInt,ext_msg=loadcase_string)
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if (any(bc(loadcase)%maskStress.and.transpose(bc(loadcase)%maskStress).and.& !checking if no rotation is allowed by stress BC
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reshape((/.false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false./),(/3,3/))))&
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call IO_error(error_ID=38_pInt,ext_msg=loadcase_string)
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print '(a)', '============================================================='
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print '(a,i5)', 'loadcase: ', loadcase
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if (.not. bc(loadcase)%followFormerTrajectory) print '(a)', 'drop guessing along trajectory'
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if (bc(loadcase)%velGradApplied) then
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do j = 1_pInt, 3_pInt
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if (any(bc(loadcase)%maskDeformation(j,1:3) .eqv. .true.) .and.&
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any(bc(loadcase)%maskDeformation(j,1:3) .eqv. .false.)) call IO_error(error_ID=32_pInt,ext_msg=loadcase_string) ! each line should be either fully or not at all defined
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if (any(bc(loadcase)%maskDeformation(j,1:3) == .true.) .and. &
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any(bc(loadcase)%maskDeformation(j,1:3) == .false.)) errorID = 32_pInt ! each row should be either fully or not at all defined
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enddo
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!$OMP CRITICAL (write2out)
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print '(a)','Velocity Gradient:'
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!$OMP END CRITICAL (write2out)
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print '(a)','velocity gradient:'
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else
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!$OMP CRITICAL (write2out)
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print '(a)','Change of Deformation Gradient:'
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!$OMP END CRITICAL (write2out)
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print '(a)','deformation gradient rate:'
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endif
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!$OMP CRITICAL (write2out)
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print '(3(3(f12.6,x)/)\)', merge(math_transpose3x3(bc(loadcase)%deformation),&
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reshape(spread(DAMASK_NaN,1,9),(/3,3/)),transpose(bc(loadcase)%maskDeformation))
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print '(a,/,3(3(f12.6,x)/)\)','Stress Boundary Condition/MPa:',merge(math_transpose3x3(bc(loadcase)%stress),&
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print '(a,/,3(3(f12.6,x)/)\)','stress / GPa:',1e-9*merge(math_transpose3x3(bc(loadcase)%stress),&
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reshape(spread(DAMASK_NaN,1,9),(/3,3/)),&
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transpose(bc(loadcase)%maskStress))*1e-6
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!$OMP END CRITICAL (write2out)
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if (any(abs(math_mul33x33(bc(loadcase)%rotation,math_transpose3x3(bc(loadcase)%rotation))-math_I3)& ! given rotation matrix contains strain
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>reshape(spread(rotation_tol,1,9),(/3,3/)))&
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.or. abs(math_det3x3(bc(loadcase)%rotation))>1.0_pReal + rotation_tol) call IO_error(error_ID=46_pInt,ext_msg=loadcase_string)
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!$OMP CRITICAL (write2out)
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transpose(bc(loadcase)%maskStress))
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if (any(bc(loadcase)%rotation /= math_I3)) &
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print '(a,3(3(f12.6,x)/)\)','Rotation of BCs:',math_transpose3x3(bc(loadcase)%rotation)
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!$OMP END CRITICAL (write2out)
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if (bc(loadcase)%timeIncrement < 0.0_pReal) call IO_error(error_ID=34_pInt,ext_msg=loadcase_string) ! negative time increment
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!$OMP CRITICAL (write2out)
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print '(a,f12.6)','Temperature:',bc(loadcase)%temperature
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print '(a,f12.6)','Time: ',bc(loadcase)%timeIncrement
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!$OMP END CRITICAL (write2out)
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if (bc(loadcase)%steps < 1_pInt) call IO_error(error_ID=35_pInt,ext_msg=loadcase_string) ! non-positive increment count
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!$OMP CRITICAL (write2out)
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print '(a,i5)','Steps: ',bc(loadcase)%steps
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!$OMP END CRITICAL (write2out)
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if (bc(loadcase)%outputfrequency < 1_pInt) call IO_error(error_ID=36_pInt,ext_msg=loadcase_string) ! non-positive result frequency
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!$OMP CRITICAL (write2out)
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print '(a,i5)','Freq. of Results Output: ',bc(loadcase)%outputfrequency
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!$OMP END CRITICAL (write2out)
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if (bc(loadcase)%restartfrequency < 1_pInt) call IO_error(error_ID=39_pInt,ext_msg=loadcase_string) ! non-positive restart frequency
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!$OMP CRITICAL (write2out)
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print '(a,i5)','Freq. of Restart Information Output: ',bc(loadcase)%restartfrequency
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!$OMP END CRITICAL (write2out)
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print '(a,3(3(f12.6,x)/)\)','rotation of loadframe:',math_transpose3x3(bc(loadcase)%rotation)
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print '(a,f12.6)','temperature:',bc(loadcase)%temperature
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print '(a,f12.6)','time: ',bc(loadcase)%timeIncrement
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print '(a,i5)','steps: ',bc(loadcase)%steps
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print '(a,i5)','output frequency: ',bc(loadcase)%outputfrequency
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print '(a,i5)','restart frequency: ',bc(loadcase)%restartfrequency
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if (any(bc(loadcase)%maskStress == bc(loadcase)%maskDeformation)) errorID = 31 ! exclusive or masking only
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if (any(bc(loadcase)%maskStress .and. transpose(bc(loadcase)%maskStress) .and. &
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reshape((/.false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false./),(/3,3/)))) &
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errorID = 38_pInt ! no rotation is allowed by stress BC
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if (any(abs(math_mul33x33(bc(loadcase)%rotation,math_transpose3x3(bc(loadcase)%rotation))-math_I3)&
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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)%timeIncrement < 0.0_pReal) errorID = 34_pInt ! negative time increment
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if (bc(loadcase)%steps < 1_pInt) errorID = 35_pInt ! non-positive increment count
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if (bc(loadcase)%outputfrequency < 1_pInt) errorID = 36_pInt ! non-positive result frequency
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if (bc(loadcase)%restartfrequency < 1_pInt) errorID = 39_pInt ! non-positive restart frequency
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if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string)
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enddo
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! Initialization of fftw (see manual on fftw.org for more details)
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@ -492,7 +480,7 @@ program DAMASK_spectral
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allocate (workfft(res(1)+2,res(2),res(3),3,3)); workfft = 0.0_pReal
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if (debugDivergence) allocate (divergence(res(1)+2,res(2),res(3),3)); divergence = 0.0_pReal
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wgt = 1.0_pReal/real(res(1)*res(2)*res(3), pReal)
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wgt = 1.0_pReal/real(Npoints, pReal)
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call dfftw_plan_many_dft_r2c(fftw_plan(1),3,(/res(1),res(2),res(3)/),9,&
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workfft,(/res(1) +2_pInt,res(2),res(3)/),1,(res(1) +2_pInt)*res(2)*res(3),&
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workfft,(/res(1)/2_pInt+1_pInt,res(2),res(3)/),1,(res(1)/2_pInt+1_pInt)*res(2)*res(3),fftw_planner_flag)
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@ -541,7 +529,7 @@ program DAMASK_spectral
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if (debugGeneral) then
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!$OMP CRITICAL (write2out)
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write (6,*) 'First Call to CPFEM_general finished'
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write (6,*) 'first call to CPFEM_general finished'
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!$OMP END CRITICAL (write2out)
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endif
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@ -558,7 +546,7 @@ program DAMASK_spectral
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xi(2,i,j,k) = real(k_s(2), pReal)/geomdimension(2)
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xi(1,i,j,k) = real(k_s(1), pReal)/geomdimension(1)
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enddo; enddo; enddo
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! remove highest frequencies for calculation of divergence (CAREFULL, they will be used for pre calculatet gamma operator!)
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! remove highest frequencies for calculation of divergence (CAREFUL, they will be used for pre calculatet gamma operator!)
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do k = 1_pInt ,res(3); do j = 1_pInt ,res(2); do i = 1_pInt,res(1)/2_pInt + 1_pInt
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if(k==res(3)/2_pInt+1_pInt) xi(3,i,j,k)= 0.0_pReal
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if(j==res(2)/2_pInt+1_pInt) xi(2,i,j,k)= 0.0_pReal
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@ -605,7 +593,7 @@ program DAMASK_spectral
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bc(1)%steps= bc(1)%steps - 1_pInt
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write(538), 'startingIncrement', restartReadStep -1_pInt ! start with writing out the previous step
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write(538), 'eoh' ! end of header
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write(538), materialpoint_results(materialpoint_sizeResults,1,res(1)*res(2)*res(3)) ! initial (non-deformed) results
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write(538), materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! initial (non-deformed) results
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!$OMP END CRITICAL (write2out)
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endif
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!*************************************************************
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@ -690,7 +678,7 @@ program DAMASK_spectral
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print '(a)', '#############################################################'
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print '(A,I5.5,A,es12.6)', 'Increment ', totalStepsCounter, ' Time ',time
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if (restartWrite ) then
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print '(A)', 'Writing converged Results of previous Step for Restart'
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print '(A)', 'writing converged results of previous step 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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@ -704,14 +692,16 @@ program DAMASK_spectral
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err_stress > err_stress_tol))
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iter = iter + 1_pInt
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!*************************************************************
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print '(a)', ''
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print '(a)', '============================================================='
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print '(5(A,I5.5))', 'Loadcase ',loadcase,' Step ',step,'/',bc(loadcase)%steps,'@Iteration ',iter,'/',itmax
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print '(5(a,i5.5))', 'Loadcase ',loadcase,' Step ',step,'/',bc(loadcase)%steps,'@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(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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!$OMP CRITICAL (write2out)
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print '(a,/,3(3(f12.7,x)/)\)', 'Deformation Gradient:',math_transpose3x3(defgrad_av)
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print '(A)', '... Update Stress Field (Constitutive Evaluation P(F)) ......'
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print '(a,/,3(3(f12.7,x)/)\)', 'deformation gradient:',math_transpose3x3(defgrad_av)
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print '(l)', restartWrite
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print '(a)', '... update stress field P(F) ................................'
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!$OMP END CRITICAL (write2out)
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defgradDetMax = -huge(1.0_pReal)
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defgradDetMin = +huge(1.0_pReal)
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@ -727,8 +717,8 @@ program DAMASK_spectral
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cstress,dsde, pstress, dPdF)
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enddo; enddo; enddo
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print '(a,x,es10.4)' , 'Maximum Determinant of Deformation:', defgradDetMax
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print '(a,x,es10.4)' , 'Minimum Determinant of Deformation:', defgradDetMin
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print '(a,x,es10.4)' , 'max determinant of deformation:', defgradDetMax
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print '(a,x,es10.4)' , 'min determinant of deformation:', defgradDetMin
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workfft = 0.0_pReal ! needed because of the padding for FFTW
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c_current = 0.0_pReal
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@ -750,22 +740,27 @@ program DAMASK_spectral
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enddo; enddo
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!$OMP CRITICAL (write2out)
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print '(a,/,3(3(f12.7,x)/)\)', 'Piola-Kirchhoff Stress / MPa: ',math_transpose3x3(pstress_av)/1.e6
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print '(a,/,3(3(f12.7,x)/)\)', 'Piola-Kirchhoff stress / MPa: ',math_transpose3x3(pstress_av)/1.e6
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err_stress_tol = 0.0_pReal
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pstress_av_load = math_rotate_forward3x3(pstress_av,bc(loadcase)%rotation)
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if(size_reduced > 0_pInt) then ! calculate stress BC if applied
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err_stress = maxval(abs(mask_stress * (pstress_av_load - bc(loadcase)%stress))) ! maximum deviaton (tensor norm not applicable)
|
||||
err_stress_tol = maxval(abs(mask_defgrad * pstress_av_load)) * err_stress_tolrel ! don't use any tensor norm because the comparison should be coherent
|
||||
print '(A)', '... Correcting Deformation Gradient to Fullfill BCs .........'
|
||||
print '(2(a,es10.4))', 'Error Stress = ',err_stress, ', Tol. = ', err_stress_tol
|
||||
print '(a)', ''
|
||||
print '(a,es10.4,a,f6.2)', 'error stress = ',err_stress, ', ', err_stress/err_stress_tol
|
||||
print '(a)', '... correcting deformation gradient to fulfill BCs ..........'
|
||||
defgradAimCorr = - math_mul3333xx33(s_prev, ((pstress_av_load - bc(loadcase)%stress))) ! residual on given stress components
|
||||
defgradAim = defgradAim + defgradAimCorr
|
||||
print '(a,/,3(3(f12.7,x)/)\)', 'New Deformation Aim: ',math_transpose3x3(math_rotate_backward3x3(&
|
||||
defgradAim,bc(loadcase)%rotation))
|
||||
print '(a,x,es10.4)' , 'Determinant of New Deformation Aim:', math_det3x3(defgradAim)
|
||||
print '(a,/,3(3(f12.7,x)/)\)', 'new deformation aim: ',&
|
||||
math_transpose3x3(math_rotate_backward3x3(defgradAim,bc(loadcase)%rotation))
|
||||
print '(a,x,es10.4)' , 'with determinant: ', math_det3x3(defgradAim)
|
||||
endif
|
||||
print '(A)', '... Calculating Equilibrium Using Spectral Method ...........'
|
||||
|
||||
print '(a)', ''
|
||||
print '(a)', '... calculating equilibrium with spectral method ............'
|
||||
|
||||
!$OMP END CRITICAL (write2out)
|
||||
call dfftw_execute_dft_r2c(fftw_plan(1),workfft,workfft) ! FFT of pstress
|
||||
|
||||
|
|
@ -786,10 +781,15 @@ program DAMASK_spectral
|
|||
xi(1:3,i,j,k))&
|
||||
)**2.0_pReal))))
|
||||
enddo; enddo; enddo
|
||||
correctionFactor = minval(geomdimension)*wgt**(-1.0_pReal/4.0_pReal) ! multiplying by minimum dimension to get rid of dimension dependency and phenomenologigal factor wgt**(-1/4) to get rid of resolution dependency
|
||||
if (res(3)==1_pInt) correctionFactor = minval(geomdimension(1:2))*wgt**(-1.0_pReal/4.0_pReal) ! 2D case, ToDo: correct?
|
||||
if (.not. divergence_correction) correctionFactor = 1.0_pReal
|
||||
|
||||
if (divergence_correction) then
|
||||
if (res(3) == 1_pInt) then
|
||||
correctionFactor = minval(geomdimension(1:2))*wgt**(-1.0_pReal/4.0_pReal) ! 2D case, ToDo: correct? PE: Do we need this in the loop or can be pre-calculated?
|
||||
else
|
||||
correctionFactor = minval(geomdimension(1:3))*wgt**(-1.0_pReal/4.0_pReal) ! multiplying by minimum dimension to get rid of dimension dependency and phenomenologigal factor wgt**(-1/4) to get rid of resolution dependency
|
||||
endif
|
||||
else
|
||||
correctionFactor = 1.0_pReal
|
||||
endif
|
||||
err_div = err_div*wgt/p_hat_avg*correctionFactor ! weighting by points and average stress and multiplying with correction factor
|
||||
err_div_max = err_div_max/p_hat_avg*correctionFactor ! weighting by average stress and multiplying with correction factor
|
||||
|
||||
|
|
@ -857,21 +857,21 @@ program DAMASK_spectral
|
|||
|
||||
call dfftw_execute_dft_c2r(fftw_plan(2),workfft,workfft)
|
||||
defgrad = defgrad + workfft(1:res(1),:,:,:,:)*wgt
|
||||
do m = 1,3; do n = 1,3
|
||||
do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt
|
||||
defgrad_av(m,n) = sum(defgrad(:,:,:,m,n))*wgt
|
||||
enddo; enddo
|
||||
defgradAim_lab = math_rotate_backward3x3(defgradAim,bc(loadcase)%rotation)
|
||||
do m = 1,3; do n = 1,3
|
||||
do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt
|
||||
defgrad(:,:,:,m,n) = defgrad(:,:,:,m,n) + (defgradAim_lab(m,n) - defgrad_av(m,n)) ! anticipated target minus current state
|
||||
enddo; enddo
|
||||
!$OMP CRITICAL (write2out)
|
||||
if(.not. debugDivergence) then
|
||||
print '(2(a,es10.4))', 'Error Divergence = ',err_div, ', Tol. = ', err_div_tol
|
||||
if(debugDivergence) then
|
||||
print '(a,es10.4,a,f6.2)', 'error divergence FT avg = ',err_div, ', ', err_div/err_div_tol
|
||||
print '(a,es10.4)', 'error divergence FT max = ',err_div_max
|
||||
print '(a,es10.4)', 'error divergence Real avg = ',err_real_div_avg
|
||||
print '(a,es10.4)', 'error divergence Real max = ',err_real_div_max
|
||||
else
|
||||
print '(2(a,es10.4))', 'Error Divergence FT avg= ',err_div, ', Tol. = ', err_div_tol
|
||||
print '(a,es10.4)', 'Error Divergence FT max= ',err_div_max
|
||||
print '(a,es10.4)', 'Error Divergence Real avg= ',err_real_div_avg
|
||||
print '(a,es10.4)', 'Error Divergence Real max= ',err_real_div_max
|
||||
print '(a,es10.4,a,f6.2)', 'error divergence = ',err_div, ', ', err_div/err_div_tol
|
||||
endif
|
||||
!$OMP END CRITICAL (write2out)
|
||||
|
||||
|
|
@ -880,16 +880,18 @@ program DAMASK_spectral
|
|||
c_prev = math_rotate_forward3x3x3x3(c_current*wgt,bc(loadcase)%rotation) ! calculate stiffness for next step
|
||||
!ToDo: Incfluence for next loadcase
|
||||
!$OMP CRITICAL (write2out)
|
||||
print '(a)', ''
|
||||
print '(a)', '============================================================='
|
||||
if(err_div<=err_div_tol .and. err_stress<=err_stress_tol) then
|
||||
print '(A,I5.5,A)', 'Increment ', totalStepsCounter, ' Converged'
|
||||
if(err_div > err_div_tol .or. err_stress > err_stress_tol) then
|
||||
print '(A,I5.5,A)', 'increment ', totalStepsCounter, ' NOT converged'
|
||||
notConvergedCounter = notConvergedCounter + 1_pInt
|
||||
else
|
||||
print '(A,I5.5,A)', 'Increment ', totalStepsCounter, ' NOT Converged'
|
||||
notConvergedCounter = notConvergedCounter + 1
|
||||
print '(A,I5.5,A)', 'increment ', totalStepsCounter, ' converged'
|
||||
endif
|
||||
if (mod(totalStepsCounter -1_pInt,bc(loadcase)%outputfrequency) == 0_pInt) then ! at output frequency
|
||||
print '(A)', '... Writing Results to File .................................'
|
||||
write(538), materialpoint_results(materialpoint_sizeResults,1,res(1)*res(2)*res(3)) ! write result to file
|
||||
print '(a)', ''
|
||||
print '(a)', '... writing results to file .................................'
|
||||
write(538), materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! write result to file
|
||||
endif
|
||||
!$OMP END CRITICAL (write2out)
|
||||
endif
|
||||
|
|
@ -898,8 +900,9 @@ program DAMASK_spectral
|
|||
deallocate(s_reduced)
|
||||
enddo ! end looping over loadcases
|
||||
!$OMP CRITICAL (write2out)
|
||||
print '(a)', ''
|
||||
print '(a)', '#############################################################'
|
||||
print '(a,i5.5,a,i5.5,a)', 'Of ', totalStepsCounter - restartReadStep + 1_pInt, ' Calculated Steps, ', notConvergedCounter, ' Steps did not Converge!'
|
||||
print '(a,i5.5,a,i5.5,a)', 'of ', totalStepsCounter - restartReadStep + 1_pInt, ' calculated steps, ', notConvergedCounter, ' steps did not converge!'
|
||||
!$OMP END CRITICAL (write2out)
|
||||
close(538)
|
||||
call dfftw_destroy_plan(fftw_plan(1)); call dfftw_destroy_plan(fftw_plan(2))
|
||||
|
|
|
|||
|
|
@ -62,10 +62,10 @@
|
|||
FEmodelGeometry = getModelName()
|
||||
if (IO_open_inputFile(fileunit,FEmodelGeometry)) then
|
||||
if (trim(FEsolver) == 'Spectral') then
|
||||
restartWrite = .true.
|
||||
call get_command(commandLine) ! may contain capitals
|
||||
do i=1,len(commandLine) ! remove capitals
|
||||
if(64<iachar(commandLine(i:i)) .and. iachar(commandLine(i:i))<91) commandLine(i:i) =achar(iachar(commandLine(i:i))+32)
|
||||
call get_command(commandLine) ! may contain uppercase
|
||||
do i=1,len(commandLine)
|
||||
if(64 < iachar(commandLine(i:i)) .and. iachar(commandLine(i:i)) < 91) &
|
||||
commandLine(i:i) = achar(iachar(commandLine(i:i))+32) ! make lowercase
|
||||
enddo
|
||||
start = index(commandLine,'-r ',.true.) + 3_pInt ! search for '-r' and jump forward to given name
|
||||
if (index(commandLine,'--restart ',.true.)>0) then ! if '--restart' is found, use that (contains '-r')
|
||||
|
|
@ -74,9 +74,16 @@
|
|||
length = index(commandLine(start:len(commandLine)),' ',.false.)
|
||||
if(start /= 3_pInt) then ! found at least -r
|
||||
read(commandLine(start:start+length),'(I12)') restartReadStep
|
||||
restartRead = .true.
|
||||
endif
|
||||
if(restartReadStep<0_pInt .and. restartRead .eq. .true.) call IO_error(error_ID=47)
|
||||
if (restartReadStep > 0_pInt) then
|
||||
restartRead = .true.
|
||||
restartWrite = .true.
|
||||
endif
|
||||
if (restartReadStep == 0_pInt) then
|
||||
restartRead = .false.
|
||||
restartWrite = .false.
|
||||
endif
|
||||
if(restartReadStep < 0_pInt) call IO_error(error_ID=47)
|
||||
else
|
||||
rewind(fileunit)
|
||||
do
|
||||
|
|
@ -107,7 +114,7 @@
|
|||
enddo
|
||||
endif
|
||||
else
|
||||
call IO_error(101) ! cannot open input file
|
||||
call IO_error(101, ext_msg=FEmodelGeometry) ! cannot open input file
|
||||
endif
|
||||
100 close(fileunit)
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue