* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization.
* Also added some more openmp directives to increase percentage of parallelized code. * "implicit none" was missing in two subroutines of homogenization and constitutive.
This commit is contained in:
Christoph Kords
parent
1b3dba4113
commit
3d51dd36fa
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@ -373,12 +373,14 @@ subroutine CPFEM_general(mode, ffn, ffn1, Temperature, dt, element, IP, cauchySt
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endif
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endif
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!$OMP END CRITICAL (write2out)
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!$OMP END CRITICAL (write2out)
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endif
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endif
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!$OMP PARALLEL DO
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do k = 1,mesh_NcpElems
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do k = 1,mesh_NcpElems
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do j = 1,mesh_maxNips
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do j = 1,mesh_maxNips
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if (homogenization_sizeState(j,k) > 0_pInt) &
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if (homogenization_sizeState(j,k) > 0_pInt) &
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homogenization_state0(j,k)%p = homogenization_state(j,k)%p ! internal state of homogenization scheme
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homogenization_state0(j,k)%p = homogenization_state(j,k)%p ! internal state of homogenization scheme
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enddo
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enddo
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enddo
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enddo
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!$OMP END PARALLEL DO
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! *** dump the last converged values of each essential variable to a binary file
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! *** dump the last converged values of each essential variable to a binary file
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@ -492,6 +494,7 @@ subroutine CPFEM_general(mode, ffn, ffn1, Temperature, dt, element, IP, cauchySt
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endif
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endif
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call materialpoint_stressAndItsTangent(updateJaco, dt) ! calculate stress and its tangent (parallel execution inside)
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call materialpoint_stressAndItsTangent(updateJaco, dt) ! calculate stress and its tangent (parallel execution inside)
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call materialpoint_postResults(dt) ! post results
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call materialpoint_postResults(dt) ! post results
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!$OMP PARALLEL DO
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do e = FEsolving_execElem(1),FEsolving_execElem(2) ! loop over all parallely processed elements
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do e = FEsolving_execElem(1),FEsolving_execElem(2) ! loop over all parallely processed elements
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if (microstructure_elemhomo(mesh_element(4,e))) then ! dealing with homogeneous element?
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if (microstructure_elemhomo(mesh_element(4,e))) then ! dealing with homogeneous element?
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forall (i = 2:FE_Nips(mesh_element(2,e))) ! copy results of first IP to all others
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forall (i = 2:FE_Nips(mesh_element(2,e))) ! copy results of first IP to all others
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@ -502,6 +505,7 @@ subroutine CPFEM_general(mode, ffn, ffn1, Temperature, dt, element, IP, cauchySt
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end forall
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end forall
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endif
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endif
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enddo
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enddo
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!$OMP END PARALLEL DO
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CPFEM_calc_done = .true.
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CPFEM_calc_done = .true.
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endif
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endif
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@ -10,10 +10,10 @@
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MODULE constitutive
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MODULE constitutive
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!*** Include other modules ***
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!*** Include other modules ***
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use prec
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use prec
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implicit none
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implicit none
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type(p_vec), dimension(:,:,:), allocatable :: constitutive_state0, & ! pointer array to microstructure at start of FE inc
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type(p_vec), dimension(:,:,:), allocatable :: constitutive_state0, & ! pointer array to microstructure at start of FE inc
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constitutive_partionedState0, & ! pointer array to microstructure at start of homogenization inc
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constitutive_partionedState0, & ! pointer array to microstructure at start of homogenization inc
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constitutive_subState0, & ! pointer array to microstructure at start of crystallite inc
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constitutive_subState0, & ! pointer array to microstructure at start of crystallite inc
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constitutive_state, & ! pointer array to current microstructure (end of converged time step)
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constitutive_state, & ! pointer array to current microstructure (end of converged time step)
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@ -24,11 +24,11 @@ MODULE constitutive
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constitutive_dotState_backup, & ! pointer array to backed up evolution of current microstructure
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constitutive_dotState_backup, & ! pointer array to backed up evolution of current microstructure
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constitutive_RK4dotState, & ! pointer array to evolution of microstructure defined by classical Runge-Kutta method
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constitutive_RK4dotState, & ! pointer array to evolution of microstructure defined by classical Runge-Kutta method
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constitutive_aTolState ! pointer array to absolute state tolerance
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constitutive_aTolState ! pointer array to absolute state tolerance
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type(p_vec), dimension(:,:,:,:), allocatable :: constitutive_RKCK45dotState ! pointer array to evolution of microstructure used by Cash-Karp Runge-Kutta method
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type(p_vec), dimension(:,:,:,:), allocatable :: constitutive_RKCK45dotState ! pointer array to evolution of microstructure used by Cash-Karp Runge-Kutta method
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integer(pInt), dimension(:,:,:), allocatable :: constitutive_sizeDotState, & ! size of dotState array
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integer(pInt), dimension(:,:,:), allocatable :: constitutive_sizeDotState, & ! size of dotState array
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constitutive_sizeState, & ! size of state array per grain
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constitutive_sizeState, & ! size of state array per grain
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constitutive_sizePostResults ! size of postResults array per grain
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constitutive_sizePostResults ! size of postResults array per grain
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integer(pInt) constitutive_maxSizeDotState, &
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integer(pInt) constitutive_maxSizeDotState, &
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constitutive_maxSizeState, &
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constitutive_maxSizeState, &
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constitutive_maxSizePostResults
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constitutive_maxSizePostResults
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@ -44,43 +44,58 @@ CONTAINS
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!* - constitutive_postResults
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!* - constitutive_postResults
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!****************************************
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!****************************************
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subroutine constitutive_init()
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!**************************************
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!**************************************
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!* Module initialization *
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!* Module initialization *
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!**************************************
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!**************************************
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use prec, only: pReal,pInt
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subroutine constitutive_init()
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use debug, only: debug_verbosity, debug_selectiveDebugger, debug_e, debug_i, debug_g
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use prec, only: pReal,pInt
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use numerics, only: numerics_integrator
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use debug, only: debug_verbosity, debug_selectiveDebugger, debug_e, debug_i, debug_g
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use IO, only: IO_error, IO_open_file, IO_open_jobFile
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use numerics, only: numerics_integrator
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use mesh, only: mesh_maxNips,mesh_NcpElems,mesh_element,FE_Nips
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use IO, only: IO_error, IO_open_file, IO_open_jobFile
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use material
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use mesh, only: mesh_maxNips,mesh_NcpElems,mesh_element,FE_Nips
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use constitutive_j2
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use material
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use constitutive_phenopowerlaw
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use constitutive_j2
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use constitutive_titanmod
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use constitutive_phenopowerlaw
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use constitutive_dislotwin
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use constitutive_titanmod
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use constitutive_nonlocal
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use constitutive_dislotwin
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use constitutive_nonlocal
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integer(pInt), parameter :: fileunit = 200
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implicit none
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integer(pInt) e,i,g,p,s,myInstance,myNgrains
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integer(pInt), dimension(:,:), pointer :: thisSize
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character(len=64), dimension(:,:), pointer :: thisOutput
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logical knownConstitution
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if(.not. IO_open_file(fileunit,material_configFile)) call IO_error (100) ! corrupt config file
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integer(pInt), parameter :: fileunit = 200
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integer(pInt) g, & ! grain number
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i, & ! integration point number
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e, & ! element number
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gMax, & ! maximum number of grains
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iMax, & ! maximum number of integration points
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eMax, & ! maximum number of elements
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p, &
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s, &
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myInstance,&
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myNgrains
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integer(pInt), dimension(:,:), pointer :: thisSize
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character(len=64), dimension(:,:), pointer :: thisOutput
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logical knownConstitution
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call constitutive_j2_init(fileunit) ! parse all phases of this constitution
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call constitutive_phenopowerlaw_init(fileunit)
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call constitutive_titanmod_init(fileunit)
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call constitutive_dislotwin_init(fileunit)
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call constitutive_nonlocal_init(fileunit)
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close(fileunit)
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! --- PARSE CONSTITUTIONS FROM CONFIG FILE ---
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! write description file for constitutive phase output
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if(.not. IO_open_file(fileunit,material_configFile)) call IO_error (100) ! corrupt config file
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call constitutive_j2_init(fileunit)
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call constitutive_phenopowerlaw_init(fileunit)
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call constitutive_titanmod_init(fileunit)
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call constitutive_dislotwin_init(fileunit)
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call constitutive_nonlocal_init(fileunit)
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close(fileunit)
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if(.not. IO_open_jobFile(fileunit,'outputConstitutive')) call IO_error (50) ! problems in writing file
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do p = 1,material_Nphase
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! --- WRITE DESCRIPTION FILE FOR CONSTITUTIVE PHASE OUTPUT ---
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if(.not. IO_open_jobFile(fileunit,'outputConstitutive')) then ! problems in writing file
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call IO_error (50)
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endif
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do p = 1,material_Nphase
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i = phase_constitutionInstance(p) ! which instance of a constitution is present phase
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i = phase_constitutionInstance(p) ! which instance of a constitution is present phase
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knownConstitution = .true. ! assume valid
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knownConstitution = .true. ! assume valid
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select case(phase_constitution(p)) ! split per constitiution
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select case(phase_constitution(p)) ! split per constitiution
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@ -102,7 +117,6 @@ subroutine constitutive_init()
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case default
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case default
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knownConstitution = .false.
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knownConstitution = .false.
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end select
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end select
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write(fileunit,*)
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write(fileunit,*)
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write(fileunit,'(a)') '['//trim(phase_name(p))//']'
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write(fileunit,'(a)') '['//trim(phase_name(p))//']'
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write(fileunit,*)
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write(fileunit,*)
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@ -112,32 +126,39 @@ subroutine constitutive_init()
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write(fileunit,'(a,i4)') trim(thisOutput(e,i))//char(9),thisSize(e,i)
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write(fileunit,'(a,i4)') trim(thisOutput(e,i))//char(9),thisSize(e,i)
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enddo
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enddo
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endif
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endif
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enddo
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enddo
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close(fileunit)
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close(fileunit)
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! allocate memory for state management
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! --- ALLOCATION OF STATES ---
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allocate(constitutive_state0(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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gMax = homogenization_maxNgrains
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allocate(constitutive_partionedState0(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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iMax = mesh_maxNips
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allocate(constitutive_subState0(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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eMax = mesh_NcpElems
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allocate(constitutive_state(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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allocate(constitutive_state_backup(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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allocate(constitutive_dotState(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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allocate(constitutive_dotState_backup(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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allocate(constitutive_aTolState(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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allocate(constitutive_sizeDotState(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; constitutive_sizeDotState = 0_pInt
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allocate(constitutive_sizeState(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; constitutive_sizeState = 0_pInt
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allocate(constitutive_sizePostResults(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)); constitutive_sizePostResults = 0_pInt
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if (any(numerics_integrator == 1)) then
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allocate(constitutive_previousDotState(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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allocate(constitutive_previousDotState2(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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endif
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if (any(numerics_integrator == 4)) &
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allocate(constitutive_RK4dotState(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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if (any(numerics_integrator == 5)) &
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allocate(constitutive_RKCK45dotState(6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems))
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allocate(constitutive_state0(gMax,iMax,eMax))
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allocate(constitutive_partionedState0(gMax,iMax,eMax))
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allocate(constitutive_subState0(gMax,iMax,eMax))
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allocate(constitutive_state(gMax,iMax,eMax))
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allocate(constitutive_state_backup(gMax,iMax,eMax))
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allocate(constitutive_dotState(gMax,iMax,eMax))
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allocate(constitutive_dotState_backup(gMax,iMax,eMax))
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allocate(constitutive_aTolState(gMax,iMax,eMax))
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allocate(constitutive_sizeDotState(gMax,iMax,eMax)) ; constitutive_sizeDotState = 0_pInt
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allocate(constitutive_sizeState(gMax,iMax,eMax)) ; constitutive_sizeState = 0_pInt
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allocate(constitutive_sizePostResults(gMax,iMax,eMax)); constitutive_sizePostResults = 0_pInt
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if (any(numerics_integrator == 1)) then
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allocate(constitutive_previousDotState(gMax,iMax,eMax))
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allocate(constitutive_previousDotState2(gMax,iMax,eMax))
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endif
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if (any(numerics_integrator == 4)) then
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allocate(constitutive_RK4dotState(gMax,iMax,eMax))
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endif
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if (any(numerics_integrator == 5)) then
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allocate(constitutive_RKCK45dotState(6,gMax,iMax,eMax))
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endif
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!$OMP PARALLEL DO PRIVATE(myNgrains,myInstance)
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do e = 1,mesh_NcpElems ! loop over elements
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do e = 1,mesh_NcpElems ! loop over elements
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myNgrains = homogenization_Ngrains(mesh_element(3,e))
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myNgrains = homogenization_Ngrains(mesh_element(3,e))
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do i = 1,FE_Nips(mesh_element(2,e)) ! loop over IPs
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do i = 1,FE_Nips(mesh_element(2,e)) ! loop over IPs
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@ -158,8 +179,9 @@ subroutine constitutive_init()
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allocate(constitutive_previousDotState(g,i,e)%p(constitutive_j2_sizeDotState(myInstance)))
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allocate(constitutive_previousDotState(g,i,e)%p(constitutive_j2_sizeDotState(myInstance)))
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allocate(constitutive_previousDotState2(g,i,e)%p(constitutive_j2_sizeDotState(myInstance)))
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allocate(constitutive_previousDotState2(g,i,e)%p(constitutive_j2_sizeDotState(myInstance)))
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endif
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endif
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if (any(numerics_integrator == 4)) &
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if (any(numerics_integrator == 4)) then
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allocate(constitutive_RK4dotState(g,i,e)%p(constitutive_j2_sizeDotState(myInstance)))
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allocate(constitutive_RK4dotState(g,i,e)%p(constitutive_j2_sizeDotState(myInstance)))
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endif
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if (any(numerics_integrator == 5)) then
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if (any(numerics_integrator == 5)) then
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do s = 1,6
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do s = 1,6
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allocate(constitutive_RKCK45dotState(s,g,i,e)%p(constitutive_j2_sizeDotState(myInstance)))
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allocate(constitutive_RKCK45dotState(s,g,i,e)%p(constitutive_j2_sizeDotState(myInstance)))
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@ -184,8 +206,9 @@ subroutine constitutive_init()
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allocate(constitutive_previousDotState(g,i,e)%p(constitutive_phenopowerlaw_sizeDotState(myInstance)))
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allocate(constitutive_previousDotState(g,i,e)%p(constitutive_phenopowerlaw_sizeDotState(myInstance)))
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allocate(constitutive_previousDotState2(g,i,e)%p(constitutive_phenopowerlaw_sizeDotState(myInstance)))
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allocate(constitutive_previousDotState2(g,i,e)%p(constitutive_phenopowerlaw_sizeDotState(myInstance)))
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endif
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endif
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if (any(numerics_integrator == 4)) &
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if (any(numerics_integrator == 4)) then
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allocate(constitutive_RK4dotState(g,i,e)%p(constitutive_phenopowerlaw_sizeDotState(myInstance)))
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allocate(constitutive_RK4dotState(g,i,e)%p(constitutive_phenopowerlaw_sizeDotState(myInstance)))
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endif
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if (any(numerics_integrator == 5)) then
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if (any(numerics_integrator == 5)) then
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do s = 1,6
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do s = 1,6
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allocate(constitutive_RKCK45dotState(s,g,i,e)%p(constitutive_phenopowerlaw_sizeDotState(myInstance)))
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allocate(constitutive_RKCK45dotState(s,g,i,e)%p(constitutive_phenopowerlaw_sizeDotState(myInstance)))
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@ -210,8 +233,9 @@ subroutine constitutive_init()
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allocate(constitutive_previousDotState(g,i,e)%p(constitutive_titanmod_sizeDotState(myInstance)))
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allocate(constitutive_previousDotState(g,i,e)%p(constitutive_titanmod_sizeDotState(myInstance)))
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allocate(constitutive_previousDotState2(g,i,e)%p(constitutive_titanmod_sizeDotState(myInstance)))
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allocate(constitutive_previousDotState2(g,i,e)%p(constitutive_titanmod_sizeDotState(myInstance)))
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endif
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endif
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if (any(numerics_integrator == 4)) &
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if (any(numerics_integrator == 4)) then
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allocate(constitutive_RK4dotState(g,i,e)%p(constitutive_titanmod_sizeDotState(myInstance)))
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allocate(constitutive_RK4dotState(g,i,e)%p(constitutive_titanmod_sizeDotState(myInstance)))
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endif
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if (any(numerics_integrator == 5)) then
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if (any(numerics_integrator == 5)) then
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do s = 1,6
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do s = 1,6
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allocate(constitutive_RKCK45dotState(s,g,i,e)%p(constitutive_titanmod_sizeDotState(myInstance)))
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allocate(constitutive_RKCK45dotState(s,g,i,e)%p(constitutive_titanmod_sizeDotState(myInstance)))
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@ -236,8 +260,9 @@ subroutine constitutive_init()
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allocate(constitutive_previousDotState(g,i,e)%p(constitutive_dislotwin_sizeDotState(myInstance)))
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allocate(constitutive_previousDotState(g,i,e)%p(constitutive_dislotwin_sizeDotState(myInstance)))
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allocate(constitutive_previousDotState2(g,i,e)%p(constitutive_dislotwin_sizeDotState(myInstance)))
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allocate(constitutive_previousDotState2(g,i,e)%p(constitutive_dislotwin_sizeDotState(myInstance)))
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endif
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endif
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if (any(numerics_integrator == 4)) &
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if (any(numerics_integrator == 4)) then
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allocate(constitutive_RK4dotState(g,i,e)%p(constitutive_dislotwin_sizeDotState(myInstance)))
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allocate(constitutive_RK4dotState(g,i,e)%p(constitutive_dislotwin_sizeDotState(myInstance)))
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endif
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if (any(numerics_integrator == 5)) then
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if (any(numerics_integrator == 5)) then
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do s = 1,6
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do s = 1,6
|
||||||
allocate(constitutive_RKCK45dotState(s,g,i,e)%p(constitutive_dislotwin_sizeDotState(myInstance)))
|
allocate(constitutive_RKCK45dotState(s,g,i,e)%p(constitutive_dislotwin_sizeDotState(myInstance)))
|
||||||
|
|
@ -262,8 +287,9 @@ subroutine constitutive_init()
|
||||||
allocate(constitutive_previousDotState(g,i,e)%p(constitutive_nonlocal_sizeDotState(myInstance)))
|
allocate(constitutive_previousDotState(g,i,e)%p(constitutive_nonlocal_sizeDotState(myInstance)))
|
||||||
allocate(constitutive_previousDotState2(g,i,e)%p(constitutive_nonlocal_sizeDotState(myInstance)))
|
allocate(constitutive_previousDotState2(g,i,e)%p(constitutive_nonlocal_sizeDotState(myInstance)))
|
||||||
endif
|
endif
|
||||||
if (any(numerics_integrator == 4)) &
|
if (any(numerics_integrator == 4)) then
|
||||||
allocate(constitutive_RK4dotState(g,i,e)%p(constitutive_nonlocal_sizeDotState(myInstance)))
|
allocate(constitutive_RK4dotState(g,i,e)%p(constitutive_nonlocal_sizeDotState(myInstance)))
|
||||||
|
endif
|
||||||
if (any(numerics_integrator == 5)) then
|
if (any(numerics_integrator == 5)) then
|
||||||
do s = 1,6
|
do s = 1,6
|
||||||
allocate(constitutive_RKCK45dotState(s,g,i,e)%p(constitutive_nonlocal_sizeDotState(myInstance)))
|
allocate(constitutive_RKCK45dotState(s,g,i,e)%p(constitutive_nonlocal_sizeDotState(myInstance)))
|
||||||
|
|
@ -283,12 +309,13 @@ subroutine constitutive_init()
|
||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
|
!$OMP END PARALLEL DO
|
||||||
|
|
||||||
constitutive_maxSizeState = maxval(constitutive_sizeState)
|
constitutive_maxSizeState = maxval(constitutive_sizeState)
|
||||||
constitutive_maxSizeDotState = maxval(constitutive_sizeDotState)
|
constitutive_maxSizeDotState = maxval(constitutive_sizeDotState)
|
||||||
constitutive_maxSizePostResults = maxval(constitutive_sizePostResults)
|
constitutive_maxSizePostResults = maxval(constitutive_sizePostResults)
|
||||||
|
|
||||||
!$OMP CRITICAL (write2out)
|
!$OMP CRITICAL (write2out)
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,*) '<<<+- constitutive init -+>>>'
|
write(6,*) '<<<+- constitutive init -+>>>'
|
||||||
write(6,*) '$Id$'
|
write(6,*) '$Id$'
|
||||||
|
|
@ -309,8 +336,7 @@ subroutine constitutive_init()
|
||||||
write(6,'(a32,x,7(i5,x))') 'maxSizePostResults: ', constitutive_maxSizePostResults
|
write(6,'(a32,x,7(i5,x))') 'maxSizePostResults: ', constitutive_maxSizePostResults
|
||||||
endif
|
endif
|
||||||
call flush(6)
|
call flush(6)
|
||||||
!$OMP END CRITICAL (write2out)
|
!$OMP END CRITICAL (write2out)
|
||||||
return
|
|
||||||
|
|
||||||
endsubroutine
|
endsubroutine
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -280,6 +280,7 @@ constitutive_nonlocal_interactionSlipSlip = 0.0_pReal
|
||||||
constitutive_nonlocal_dLowerEdgePerSlipFamily = 0.0_pReal
|
constitutive_nonlocal_dLowerEdgePerSlipFamily = 0.0_pReal
|
||||||
constitutive_nonlocal_dLowerScrewPerSlipFamily = 0.0_pReal
|
constitutive_nonlocal_dLowerScrewPerSlipFamily = 0.0_pReal
|
||||||
|
|
||||||
|
|
||||||
!*** readout data from material.config file
|
!*** readout data from material.config file
|
||||||
|
|
||||||
rewind(file)
|
rewind(file)
|
||||||
|
|
@ -384,7 +385,8 @@ enddo
|
||||||
lattice_initializeStructure(constitutive_nonlocal_structureName(i), constitutive_nonlocal_CoverA(i)) ! our lattice structure is defined in the material.config file by the structureName (and the c/a ratio)
|
lattice_initializeStructure(constitutive_nonlocal_structureName(i), constitutive_nonlocal_CoverA(i)) ! our lattice structure is defined in the material.config file by the structureName (and the c/a ratio)
|
||||||
myStructure = constitutive_nonlocal_structure(i)
|
myStructure = constitutive_nonlocal_structure(i)
|
||||||
|
|
||||||
!*** sanity checks
|
|
||||||
|
!*** sanity checks
|
||||||
|
|
||||||
if (myStructure < 1 .or. myStructure > 3) call IO_error(205)
|
if (myStructure < 1 .or. myStructure > 3) call IO_error(205)
|
||||||
if (sum(constitutive_nonlocal_Nslip(:,i)) <= 0_pInt) call IO_error(235,ext_msg='Nslip')
|
if (sum(constitutive_nonlocal_Nslip(:,i)) <= 0_pInt) call IO_error(235,ext_msg='Nslip')
|
||||||
|
|
@ -421,7 +423,7 @@ enddo
|
||||||
.or. constitutive_nonlocal_surfaceTransmissivity(i) > 1.0_pReal) call IO_error(235,ext_msg='surfaceTransmissivity')
|
.or. constitutive_nonlocal_surfaceTransmissivity(i) > 1.0_pReal) call IO_error(235,ext_msg='surfaceTransmissivity')
|
||||||
|
|
||||||
|
|
||||||
!*** determine total number of active slip systems
|
!*** determine total number of active slip systems
|
||||||
|
|
||||||
constitutive_nonlocal_Nslip(1:lattice_maxNslipFamily,i) = min( lattice_NslipSystem(1:lattice_maxNslipFamily, myStructure), &
|
constitutive_nonlocal_Nslip(1:lattice_maxNslipFamily,i) = min( lattice_NslipSystem(1:lattice_maxNslipFamily, myStructure), &
|
||||||
constitutive_nonlocal_Nslip(1:lattice_maxNslipFamily,i) ) ! we can't use more slip systems per family than specified in lattice
|
constitutive_nonlocal_Nslip(1:lattice_maxNslipFamily,i) ) ! we can't use more slip systems per family than specified in lattice
|
||||||
|
|
@ -471,7 +473,8 @@ do i = 1,maxNinstance
|
||||||
|
|
||||||
myStructure = constitutive_nonlocal_structure(i) ! lattice structure of this instance
|
myStructure = constitutive_nonlocal_structure(i) ! lattice structure of this instance
|
||||||
|
|
||||||
!*** Inverse lookup of my slip system family and the slip system in lattice
|
|
||||||
|
!*** Inverse lookup of my slip system family and the slip system in lattice
|
||||||
|
|
||||||
l = 0_pInt
|
l = 0_pInt
|
||||||
do f = 1,lattice_maxNslipFamily
|
do f = 1,lattice_maxNslipFamily
|
||||||
|
|
@ -482,7 +485,7 @@ do i = 1,maxNinstance
|
||||||
enddo; enddo
|
enddo; enddo
|
||||||
|
|
||||||
|
|
||||||
!*** determine size of state array
|
!*** determine size of state array
|
||||||
|
|
||||||
ns = constitutive_nonlocal_totalNslip(i)
|
ns = constitutive_nonlocal_totalNslip(i)
|
||||||
constitutive_nonlocal_sizeState(i) = size(constitutive_nonlocal_listBasicStates) * ns &
|
constitutive_nonlocal_sizeState(i) = size(constitutive_nonlocal_listBasicStates) * ns &
|
||||||
|
|
@ -490,7 +493,7 @@ do i = 1,maxNinstance
|
||||||
constitutive_nonlocal_sizeDotState(i) = size(constitutive_nonlocal_listBasicStates) * ns
|
constitutive_nonlocal_sizeDotState(i) = size(constitutive_nonlocal_listBasicStates) * ns
|
||||||
|
|
||||||
|
|
||||||
!*** determine size of postResults array
|
!*** determine size of postResults array
|
||||||
|
|
||||||
do o = 1,maxval(phase_Noutput)
|
do o = 1,maxval(phase_Noutput)
|
||||||
select case(constitutive_nonlocal_output(o,i))
|
select case(constitutive_nonlocal_output(o,i))
|
||||||
|
|
@ -572,7 +575,7 @@ do i = 1,maxNinstance
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
|
|
||||||
!*** elasticity matrix and shear modulus according to material.config
|
!*** elasticity matrix and shear modulus according to material.config
|
||||||
|
|
||||||
select case (myStructure)
|
select case (myStructure)
|
||||||
case(1:2) ! cubic(s)
|
case(1:2) ! cubic(s)
|
||||||
|
|
@ -605,12 +608,10 @@ do i = 1,maxNinstance
|
||||||
/ ( 4.0_pReal*constitutive_nonlocal_C11(i) + 6.0_pReal*constitutive_nonlocal_C12(i) &
|
/ ( 4.0_pReal*constitutive_nonlocal_C11(i) + 6.0_pReal*constitutive_nonlocal_C12(i) &
|
||||||
+ 2.0_pReal*constitutive_nonlocal_C44(i) ) ! C12iso/(C11iso+C12iso) with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
|
+ 2.0_pReal*constitutive_nonlocal_C44(i) ) ! C12iso/(C11iso+C12iso) with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
|
||||||
|
|
||||||
|
|
||||||
do s1 = 1,ns
|
do s1 = 1,ns
|
||||||
|
|
||||||
f = constitutive_nonlocal_slipFamily(s1,i)
|
f = constitutive_nonlocal_slipFamily(s1,i)
|
||||||
|
|
||||||
!*** burgers vector, mean free path prefactor and minimum dipole distance for each slip system
|
!*** burgers vector, mean free path prefactor and minimum dipole distance for each slip system
|
||||||
|
|
||||||
constitutive_nonlocal_burgersPerSlipSystem(s1,i) = constitutive_nonlocal_burgersPerSlipFamily(f,i)
|
constitutive_nonlocal_burgersPerSlipSystem(s1,i) = constitutive_nonlocal_burgersPerSlipFamily(f,i)
|
||||||
constitutive_nonlocal_lambda0PerSlipSystem(s1,i) = constitutive_nonlocal_lambda0PerSlipFamily(f,i)
|
constitutive_nonlocal_lambda0PerSlipSystem(s1,i) = constitutive_nonlocal_lambda0PerSlipFamily(f,i)
|
||||||
|
|
@ -619,27 +620,29 @@ do i = 1,maxNinstance
|
||||||
|
|
||||||
do s2 = 1,ns
|
do s2 = 1,ns
|
||||||
|
|
||||||
!*** calculation of forest projections for edge and screw dislocations. s2 acts as forest to s1
|
!*** calculation of forest projections for edge and screw dislocations. s2 acts as forest for s1
|
||||||
|
|
||||||
constitutive_nonlocal_forestProjectionEdge(s1, s2, i) &
|
constitutive_nonlocal_forestProjectionEdge(s1,s2,i) &
|
||||||
= abs(math_mul3x3(lattice_sn(1:3, constitutive_nonlocal_slipSystemLattice(s1,i), myStructure), &
|
= abs(math_mul3x3(lattice_sn(1:3,constitutive_nonlocal_slipSystemLattice(s1,i),myStructure), &
|
||||||
lattice_st(1:3, constitutive_nonlocal_slipSystemLattice(s2,i), myStructure))) ! forest projection of edge dislocations is the projection of (t = b x n) onto the slip normal of the respective slip plane
|
lattice_st(1:3,constitutive_nonlocal_slipSystemLattice(s2,i),myStructure))) ! forest projection of edge dislocations is the projection of (t = b x n) onto the slip normal of the respective slip plane
|
||||||
|
|
||||||
constitutive_nonlocal_forestProjectionScrew(s1, s2, i) &
|
constitutive_nonlocal_forestProjectionScrew(s1,s2,i) &
|
||||||
= abs(math_mul3x3(lattice_sn(1:3, constitutive_nonlocal_slipSystemLattice(s1,i), myStructure), &
|
= abs(math_mul3x3(lattice_sn(1:3,constitutive_nonlocal_slipSystemLattice(s1,i),myStructure), &
|
||||||
lattice_sd(1:3, constitutive_nonlocal_slipSystemLattice(s2,i), myStructure))) ! forest projection of screw dislocations is the projection of b onto the slip normal of the respective splip plane
|
lattice_sd(1:3,constitutive_nonlocal_slipSystemLattice(s2,i),myStructure))) ! forest projection of screw dislocations is the projection of b onto the slip normal of the respective splip plane
|
||||||
|
|
||||||
!*** calculation of interaction matrices
|
!*** calculation of interaction matrices
|
||||||
|
|
||||||
constitutive_nonlocal_interactionMatrixSlipSlip(s1, s2, i) &
|
constitutive_nonlocal_interactionMatrixSlipSlip(s1,s2,i) &
|
||||||
= constitutive_nonlocal_interactionSlipSlip( lattice_interactionSlipSlip(constitutive_nonlocal_slipSystemLattice(s1,i), &
|
= constitutive_nonlocal_interactionSlipSlip(lattice_interactionSlipSlip(constitutive_nonlocal_slipSystemLattice(s1,i), &
|
||||||
constitutive_nonlocal_slipSystemLattice(s2,i), &
|
constitutive_nonlocal_slipSystemLattice(s2,i), &
|
||||||
myStructure), &
|
myStructure), &
|
||||||
i )
|
i)
|
||||||
|
|
||||||
enddo; enddo
|
enddo
|
||||||
|
enddo
|
||||||
|
|
||||||
!*** calculation of prefactor for activation enthalpy for dislocation glide
|
|
||||||
|
!*** calculation of prefactor for activation enthalpy for dislocation glide
|
||||||
|
|
||||||
constitutive_nonlocal_Qeff0(1:ns,i) = constitutive_nonlocal_burgersPerSlipSystem(1:ns,i) ** 3.0_pReal &
|
constitutive_nonlocal_Qeff0(1:ns,i) = constitutive_nonlocal_burgersPerSlipSystem(1:ns,i) ** 3.0_pReal &
|
||||||
* sqrt(0.5_pReal * constitutive_nonlocal_d0(i) ** 3.0_pReal &
|
* sqrt(0.5_pReal * constitutive_nonlocal_d0(i) ** 3.0_pReal &
|
||||||
|
|
@ -1029,16 +1032,6 @@ if (.not. phase_localConstitution(myPhase)) then
|
||||||
|
|
||||||
endif
|
endif
|
||||||
|
|
||||||
if (debug_verbosity > 6 .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g) .or. .not. debug_selectiveDebugger)) then
|
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,*)
|
|
||||||
write(6,'(a,i5,x,i2,x,i1)') '<< CONST >> nonlocal_microstructure at el ip g',el,ip,g
|
|
||||||
write(6,*)
|
|
||||||
write(6,'(a,/,12(x),12(e10.3,x))') '<< CONST >> rhoForest', rhoForest
|
|
||||||
write(6,'(a,/,12(x),12(f10.5,x))') '<< CONST >> tauThreshold / MPa', tauThreshold/1e6
|
|
||||||
write(6,'(a,/,3(12(x),3(f10.5,x),/))') '<< CONST >> Tdislocation / MPa', math_Mandel6to33(Tdislocation_v)/1e6
|
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
|
||||||
|
|
||||||
!**********************************************************************
|
!**********************************************************************
|
||||||
!*** set states
|
!*** set states
|
||||||
|
|
@ -1049,6 +1042,18 @@ state(g,ip,el)%p(10*ns+1:11*ns) = rhoForest
|
||||||
state(g,ip,el)%p(11*ns+1:12*ns) = tauThreshold
|
state(g,ip,el)%p(11*ns+1:12*ns) = tauThreshold
|
||||||
state(g,ip,el)%p(12*ns+1:12*ns+6) = Tdislocation_v
|
state(g,ip,el)%p(12*ns+1:12*ns+6) = Tdislocation_v
|
||||||
|
|
||||||
|
|
||||||
|
#ifndef _OPENMP
|
||||||
|
if (debug_verbosity > 6 .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g) .or. .not. debug_selectiveDebugger)) then
|
||||||
|
write(6,*)
|
||||||
|
write(6,'(a,i5,x,i2,x,i1)') '<< CONST >> nonlocal_microstructure at el ip g',el,ip,g
|
||||||
|
write(6,*)
|
||||||
|
write(6,'(a,/,12(x),12(e10.3,x))') '<< CONST >> rhoForest', rhoForest
|
||||||
|
write(6,'(a,/,12(x),12(f10.5,x))') '<< CONST >> tauThreshold / MPa', tauThreshold/1e6
|
||||||
|
write(6,'(a,/,3(12(x),3(f10.5,x),/))') '<< CONST >> Tdislocation / MPa', math_Mandel6to33(Tdislocation_v)/1e6
|
||||||
|
endif
|
||||||
|
#endif
|
||||||
|
|
||||||
endsubroutine
|
endsubroutine
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -1166,15 +1171,15 @@ endif
|
||||||
constitutive_nonlocal_v(1:ns,1:4,g,ip,el) = v
|
constitutive_nonlocal_v(1:ns,1:4,g,ip,el) = v
|
||||||
!$OMP FLUSH(constitutive_nonlocal_v)
|
!$OMP FLUSH(constitutive_nonlocal_v)
|
||||||
|
|
||||||
if (debug_verbosity > 6 .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g) .or. .not. debug_selectiveDebugger)) then
|
#ifndef _OPENMP
|
||||||
!$OMP CRITICAL (write2out)
|
if (debug_verbosity > 6 .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g) .or. .not. debug_selectiveDebugger)) then
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,i5,x,i2,x,i1)') '<< CONST >> nonlocal_kinetics at el ip g',el,ip,g
|
write(6,'(a,i5,x,i2,x,i1)') '<< CONST >> nonlocal_kinetics at el ip g',el,ip,g
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,/,12(x),12(f12.5,x))') '<< CONST >> tau / MPa', tau/1e6_pReal
|
write(6,'(a,/,12(x),12(f12.5,x))') '<< CONST >> tau / MPa', tau/1e6_pReal
|
||||||
write(6,'(a,/,4(12(x),12(f12.5,x),/))') '<< CONST >> v / 1e-3m/s', constitutive_nonlocal_v(:,:,g,ip,el)*1e3
|
write(6,'(a,/,4(12(x),12(f12.5,x),/))') '<< CONST >> v / 1e-3m/s', constitutive_nonlocal_v(:,:,g,ip,el)*1e3
|
||||||
!$OMP END CRITICAL (write2out)
|
endif
|
||||||
endif
|
#endif
|
||||||
|
|
||||||
endsubroutine
|
endsubroutine
|
||||||
|
|
||||||
|
|
@ -1289,16 +1294,16 @@ do s = 1,ns
|
||||||
enddo
|
enddo
|
||||||
dLp_dTstar99 = math_Plain3333to99(dLp_dTstar3333)
|
dLp_dTstar99 = math_Plain3333to99(dLp_dTstar3333)
|
||||||
|
|
||||||
if (debug_verbosity > 6 .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g) .or. .not. debug_selectiveDebugger)) then
|
#ifndef _OPENMP
|
||||||
!$OMP CRITICAL (write2out)
|
if (debug_verbosity > 6 .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g) .or. .not. debug_selectiveDebugger)) then
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,i5,x,i2,x,i1)') '<< CONST >> nonlocal_LpandItsTangent at el ip g ',el,ip,g
|
write(6,'(a,i5,x,i2,x,i1)') '<< CONST >> nonlocal_LpandItsTangent at el ip g ',el,ip,g
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,/,4(12(x),12(f12.5,x)),/)') '<< CONST >> gdot / 1e-3',gdot*1e3_pReal
|
write(6,'(a,/,4(12(x),12(f12.5,x)),/)') '<< CONST >> gdot / 1e-3',gdot*1e3_pReal
|
||||||
write(6,'(a,/,12(x),12(f12.5,x))') '<< CONST >> gdot total / 1e-3',gdotTotal*1e3_pReal
|
write(6,'(a,/,12(x),12(f12.5,x))') '<< CONST >> gdot total / 1e-3',gdotTotal*1e3_pReal
|
||||||
write(6,'(a,/,3(12(x),3(f12.7,x),/))') '<< CONST >> Lp',Lp
|
write(6,'(a,/,3(12(x),3(f12.7,x),/))') '<< CONST >> Lp',Lp
|
||||||
!$OMP END CRITICAL (write2out)
|
endif
|
||||||
endif
|
#endif
|
||||||
|
|
||||||
endsubroutine
|
endsubroutine
|
||||||
|
|
||||||
|
|
@ -1441,21 +1446,19 @@ real(pReal) area, & ! area
|
||||||
logical considerEnteringFlux, &
|
logical considerEnteringFlux, &
|
||||||
considerLeavingFlux
|
considerLeavingFlux
|
||||||
|
|
||||||
if (debug_verbosity > 6 .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g) .or. .not. debug_selectiveDebugger)) then
|
#ifndef _OPENMP
|
||||||
!$OMP CRITICAL (write2out)
|
if (debug_verbosity > 6 .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g) .or. .not. debug_selectiveDebugger)) then
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,i5,x,i2,x,i1)') '<< CONST >> nonlocal_dotState at el ip g ',el,ip,g
|
write(6,'(a,i5,x,i2,x,i1)') '<< CONST >> nonlocal_dotState at el ip g ',el,ip,g
|
||||||
write(6,*)
|
write(6,*)
|
||||||
!$OMP END CRITICAL (write2out)
|
endif
|
||||||
endif
|
#endif
|
||||||
|
|
||||||
select case(mesh_element(2,el))
|
select case(mesh_element(2,el))
|
||||||
case (1,6,7,8,9)
|
case (1,6,7,8,9)
|
||||||
! all fine
|
! all fine
|
||||||
case default
|
case default
|
||||||
call IO_error(-1,el,ip,g,'element type not supported for nonlocal constitution')
|
call IO_error(-1,el,ip,g,'element type not supported for nonlocal constitution')
|
||||||
|
|
||||||
|
|
||||||
end select
|
end select
|
||||||
|
|
||||||
myInstance = phase_constitutionInstance(material_phase(g,ip,el))
|
myInstance = phase_constitutionInstance(material_phase(g,ip,el))
|
||||||
|
|
@ -1489,7 +1492,7 @@ endif
|
||||||
!****************************************************************************
|
!****************************************************************************
|
||||||
!*** Calculate shear rate
|
!*** Calculate shear rate
|
||||||
|
|
||||||
call constitutive_nonlocal_kinetics(Tstar_v, Temperature, state(g,ip,el), g, ip, el) ! get velocities
|
call constitutive_nonlocal_kinetics(Tstar_v, Temperature, state(g,ip,el), g, ip, el) ! velocities
|
||||||
|
|
||||||
forall (t = 1:4) &
|
forall (t = 1:4) &
|
||||||
gdot(1:ns,t) = rhoSgl(1:ns,t) * constitutive_nonlocal_burgersPerSlipSystem(1:ns,myInstance) &
|
gdot(1:ns,t) = rhoSgl(1:ns,t) * constitutive_nonlocal_burgersPerSlipSystem(1:ns,myInstance) &
|
||||||
|
|
@ -1498,12 +1501,12 @@ forall (s = 1:ns, t = 1:4, rhoSgl(s,t+4) * constitutive_nonlocal_v(s,t,g,ip,el)
|
||||||
gdot(s,t) = gdot(s,t) + abs(rhoSgl(s,t+4)) * constitutive_nonlocal_burgersPerSlipSystem(s,myInstance) &
|
gdot(s,t) = gdot(s,t) + abs(rhoSgl(s,t+4)) * constitutive_nonlocal_burgersPerSlipSystem(s,myInstance) &
|
||||||
* constitutive_nonlocal_v(s,t,g,ip,el)
|
* constitutive_nonlocal_v(s,t,g,ip,el)
|
||||||
|
|
||||||
if (debug_verbosity > 6 .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g) .or. .not. debug_selectiveDebugger)) then
|
#ifndef _OPENMP
|
||||||
!$OMP CRITICAL (write2out)
|
if (debug_verbosity > 6 .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g) .or. .not. debug_selectiveDebugger)) then
|
||||||
write(6,'(a,/,10(12(x),12(e12.5,x),/))') '<< CONST >> rho / 1/m^2', rhoSgl, rhoDip
|
write(6,'(a,/,10(12(x),12(e12.5,x),/))') '<< CONST >> rho / 1/m^2', rhoSgl, rhoDip
|
||||||
write(6,'(a,/,4(12(x),12(e12.5,x),/))') '<< CONST >> gdot / 1/s',gdot
|
write(6,'(a,/,4(12(x),12(e12.5,x),/))') '<< CONST >> gdot / 1/s',gdot
|
||||||
!$OMP END CRITICAL (write2out)
|
endif
|
||||||
endif
|
#endif
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -1751,8 +1754,10 @@ forall (t = 1:10) &
|
||||||
+ rhoDotAthermalAnnihilation(1:ns,t) &
|
+ rhoDotAthermalAnnihilation(1:ns,t) &
|
||||||
+ rhoDotThermalAnnihilation(1:ns,t)
|
+ rhoDotThermalAnnihilation(1:ns,t)
|
||||||
|
|
||||||
if (debug_verbosity > 6 .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g) .or. .not. debug_selectiveDebugger)) then
|
dotState%p(1:10*ns) = dotState%p(1:10*ns) + reshape(rhoDot,(/10*ns/))
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
|
#ifndef _OPENMP
|
||||||
|
if (debug_verbosity > 6 .and. ((debug_e == el .and. debug_i == ip .and. debug_g == g) .or. .not. debug_selectiveDebugger)) then
|
||||||
write(6,'(a,/,8(12(x),12(e12.5,x),/))') '<< CONST >> dislocation remobilization', rhoDotRemobilization(1:ns,1:8) * timestep
|
write(6,'(a,/,8(12(x),12(e12.5,x),/))') '<< CONST >> dislocation remobilization', rhoDotRemobilization(1:ns,1:8) * timestep
|
||||||
write(6,'(a,/,4(12(x),12(e12.5,x),/))') '<< CONST >> dislocation multiplication', rhoDotMultiplication(1:ns,1:4) * timestep
|
write(6,'(a,/,4(12(x),12(e12.5,x),/))') '<< CONST >> dislocation multiplication', rhoDotMultiplication(1:ns,1:4) * timestep
|
||||||
write(6,'(a,/,8(12(x),12(e12.5,x),/))') '<< CONST >> dislocation flux', rhoDotFlux(1:ns,1:8) * timestep
|
write(6,'(a,/,8(12(x),12(e12.5,x),/))') '<< CONST >> dislocation flux', rhoDotFlux(1:ns,1:8) * timestep
|
||||||
|
|
@ -1765,10 +1770,8 @@ if (debug_verbosity > 6 .and. ((debug_e == el .and. debug_i == ip .and. debug_g
|
||||||
write(6,'(a,/,10(12(x),12(f12.7,x),/))') '<< CONST >> relative density change', &
|
write(6,'(a,/,10(12(x),12(f12.7,x),/))') '<< CONST >> relative density change', &
|
||||||
rhoDot(1:ns,1:8) * timestep / (abs(rhoSgl)+1.0e-10), &
|
rhoDot(1:ns,1:8) * timestep / (abs(rhoSgl)+1.0e-10), &
|
||||||
rhoDot(1:ns,9:10) * timestep / (rhoDip+1.0e-10)
|
rhoDot(1:ns,9:10) * timestep / (rhoDip+1.0e-10)
|
||||||
!$OMP END CRITICAL (write2out)
|
endif
|
||||||
endif
|
#endif
|
||||||
|
|
||||||
dotState%p(1:10*ns) = dotState%p(1:10*ns) + reshape(rhoDot,(/10*ns/))
|
|
||||||
|
|
||||||
endsubroutine
|
endsubroutine
|
||||||
|
|
||||||
|
|
@ -2089,7 +2092,7 @@ forall (t = 1:4) &
|
||||||
|
|
||||||
do s = 1,ns
|
do s = 1,ns
|
||||||
sLattice = constitutive_nonlocal_slipSystemLattice(s,myInstance)
|
sLattice = constitutive_nonlocal_slipSystemLattice(s,myInstance)
|
||||||
tau(s) = math_mul6x6( Tstar_v + Tdislocation_v, lattice_Sslip_v(1:6,sLattice,myStructure) )
|
tau(s) = math_mul6x6(Tstar_v + Tdislocation_v, lattice_Sslip_v(1:6,sLattice,myStructure))
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
dLower(1:ns,1) = constitutive_nonlocal_dLowerEdgePerSlipSystem(1:ns,myInstance)
|
dLower(1:ns,1) = constitutive_nonlocal_dLowerEdgePerSlipSystem(1:ns,myInstance)
|
||||||
|
|
|
||||||
|
|
@ -15,7 +15,7 @@ MODULE crystallite
|
||||||
|
|
||||||
use prec, only: pReal, pInt
|
use prec, only: pReal, pInt
|
||||||
implicit none
|
implicit none
|
||||||
!
|
|
||||||
! ****************************************************************
|
! ****************************************************************
|
||||||
! *** General variables for the crystallite calculation ***
|
! *** General variables for the crystallite calculation ***
|
||||||
! ****************************************************************
|
! ****************************************************************
|
||||||
|
|
@ -76,6 +76,7 @@ logical, dimension (:,:,:), allocatable :: &
|
||||||
|
|
||||||
CONTAINS
|
CONTAINS
|
||||||
|
|
||||||
|
|
||||||
!********************************************************************
|
!********************************************************************
|
||||||
! allocate and initialize per grain variables
|
! allocate and initialize per grain variables
|
||||||
!********************************************************************
|
!********************************************************************
|
||||||
|
|
@ -450,17 +451,13 @@ use math, only: math_inv3x3, &
|
||||||
math_transpose3x3, &
|
math_transpose3x3, &
|
||||||
math_I3
|
math_I3
|
||||||
use FEsolving, only: FEsolving_execElem, &
|
use FEsolving, only: FEsolving_execElem, &
|
||||||
FEsolving_execIP, &
|
FEsolving_execIP
|
||||||
theInc, &
|
|
||||||
cycleCounter
|
|
||||||
use mesh, only: mesh_element, &
|
use mesh, only: mesh_element, &
|
||||||
mesh_NcpElems, &
|
mesh_NcpElems, &
|
||||||
mesh_maxNips
|
mesh_maxNips
|
||||||
use material, only: homogenization_Ngrains, &
|
use material, only: homogenization_Ngrains, &
|
||||||
homogenization_maxNgrains
|
homogenization_maxNgrains
|
||||||
use constitutive, only: constitutive_maxSizeState, &
|
use constitutive, only: constitutive_sizeState, &
|
||||||
constitutive_maxSizeDotState, &
|
|
||||||
constitutive_sizeState, &
|
|
||||||
constitutive_sizeDotState, &
|
constitutive_sizeDotState, &
|
||||||
constitutive_state, &
|
constitutive_state, &
|
||||||
constitutive_state_backup, &
|
constitutive_state_backup, &
|
||||||
|
|
@ -468,10 +465,7 @@ use constitutive, only: constitutive_maxSizeState,
|
||||||
constitutive_partionedState0, &
|
constitutive_partionedState0, &
|
||||||
constitutive_homogenizedC, &
|
constitutive_homogenizedC, &
|
||||||
constitutive_dotState, &
|
constitutive_dotState, &
|
||||||
constitutive_dotState_backup, &
|
constitutive_dotState_backup
|
||||||
constitutive_collectDotState, &
|
|
||||||
constitutive_dotTemperature, &
|
|
||||||
constitutive_microstructure
|
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
|
|
@ -517,7 +511,7 @@ logical, dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||||
|
|
||||||
! --+>> INITIALIZE TO STARTING CONDITION <<+--
|
! --+>> INITIALIZE TO STARTING CONDITION <<+--
|
||||||
|
|
||||||
if (debug_verbosity > 4 .and. debug_e > 0 .and. debug_e <= mesh_NcpElems &
|
if (debug_verbosity > 4 .and. debug_e > 0 .and. debug_e <= mesh_NcpElems &
|
||||||
.and. debug_i > 0 .and. debug_i <= mesh_maxNips &
|
.and. debug_i > 0 .and. debug_i <= mesh_maxNips &
|
||||||
.and. debug_g > 0 .and. debug_g <= homogenization_maxNgrains) then
|
.and. debug_g > 0 .and. debug_g <= homogenization_maxNgrains) then
|
||||||
!$OMP CRITICAL (write2out)
|
!$OMP CRITICAL (write2out)
|
||||||
|
|
@ -531,7 +525,7 @@ logical, dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||||
write (6,'(a,/,3(12(x),3(f14.9,x)/))') '<< CRYST >> Lp0', &
|
write (6,'(a,/,3(12(x),3(f14.9,x)/))') '<< CRYST >> Lp0', &
|
||||||
math_transpose3x3(crystallite_partionedLp0(1:3,1:3,debug_g,debug_i,debug_e))
|
math_transpose3x3(crystallite_partionedLp0(1:3,1:3,debug_g,debug_i,debug_e))
|
||||||
!$OMP END CRITICAL (write2out)
|
!$OMP END CRITICAL (write2out)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
crystallite_subStep = 0.0_pReal
|
crystallite_subStep = 0.0_pReal
|
||||||
|
|
||||||
|
|
@ -575,15 +569,15 @@ do while (any(crystallite_subStep(:,:,FEsolving_execELem(1):FEsolving_execElem(2
|
||||||
! --- wind forward ---
|
! --- wind forward ---
|
||||||
|
|
||||||
if (crystallite_converged(g,i,e)) then
|
if (crystallite_converged(g,i,e)) then
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 4 &
|
if (debug_verbosity > 4 &
|
||||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,f10.8,a,f10.8,a)') '<< CRYST >> winding forward from ', &
|
write(6,'(a,f10.8,a,f10.8,a)') '<< CRYST >> winding forward from ', &
|
||||||
crystallite_subFrac(g,i,e),' to current crystallite_subfrac ', &
|
crystallite_subFrac(g,i,e),' to current crystallite_subfrac ', &
|
||||||
crystallite_subFrac(g,i,e)+crystallite_subStep(g,i,e),' in crystallite_stressAndItsTangent'
|
crystallite_subFrac(g,i,e)+crystallite_subStep(g,i,e),' in crystallite_stressAndItsTangent'
|
||||||
write(6,*)
|
write(6,*)
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
crystallite_subFrac(g,i,e) = crystallite_subFrac(g,i,e) + crystallite_subStep(g,i,e)
|
crystallite_subFrac(g,i,e) = crystallite_subFrac(g,i,e) + crystallite_subStep(g,i,e)
|
||||||
formerSubStep = crystallite_subStep(g,i,e)
|
formerSubStep = crystallite_subStep(g,i,e)
|
||||||
!$OMP FLUSH(crystallite_subFrac)
|
!$OMP FLUSH(crystallite_subFrac)
|
||||||
|
|
@ -618,15 +612,15 @@ do while (any(crystallite_subStep(:,:,FEsolving_execELem(1):FEsolving_execElem(2
|
||||||
constitutive_state(g,i,e)%p = constitutive_subState0(g,i,e)%p ! ...microstructure
|
constitutive_state(g,i,e)%p = constitutive_subState0(g,i,e)%p ! ...microstructure
|
||||||
crystallite_Tstar_v(1:6,g,i,e) = crystallite_subTstar0_v(1:6,g,i,e) ! ...2nd PK stress
|
crystallite_Tstar_v(1:6,g,i,e) = crystallite_subTstar0_v(1:6,g,i,e) ! ...2nd PK stress
|
||||||
! cant restore dotState here, since not yet calculated in first cutback after initialization
|
! cant restore dotState here, since not yet calculated in first cutback after initialization
|
||||||
!$OMP FLUSH(crystallite_subStep,crystallite_invFp)
|
!$OMP FLUSH(crystallite_invFp)
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 4 &
|
if (debug_verbosity > 4 &
|
||||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,f10.8)') '<< CRYST >> cutback step in crystallite_stressAndItsTangent with new crystallite_subStep: ',&
|
write(6,'(a,f10.8)') '<< CRYST >> cutback step in crystallite_stressAndItsTangent with new crystallite_subStep: ',&
|
||||||
crystallite_subStep(g,i,e)
|
crystallite_subStep(g,i,e)
|
||||||
write(6,*)
|
write(6,*)
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
endif
|
endif
|
||||||
|
|
||||||
! --- prepare for integration ---
|
! --- prepare for integration ---
|
||||||
|
|
@ -684,18 +678,17 @@ enddo
|
||||||
math_Mandel33to6( math_mul33x33(transpose(Fe_guess),Fe_guess) - math_I3 ) ) )
|
math_Mandel33to6( math_mul33x33(transpose(Fe_guess),Fe_guess) - math_I3 ) ) )
|
||||||
crystallite_P(1:3,1:3,g,i,e) = math_mul33x33(Fe_guess,math_mul33x33(Tstar,transpose(invFp)))
|
crystallite_P(1:3,1:3,g,i,e) = math_mul33x33(Fe_guess,math_mul33x33(Tstar,transpose(invFp)))
|
||||||
endif
|
endif
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 4 &
|
if (debug_verbosity > 4 &
|
||||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
||||||
!$OMP FLUSH(crystallite_P)
|
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write (6,'(a,i5,x,i2,x,i3)') '<< CRYST >> central solution of cryst_StressAndTangent at el ip g ',e,i,g
|
write (6,'(a,i5,x,i2,x,i3)') '<< CRYST >> central solution of cryst_StressAndTangent at el ip g ',e,i,g
|
||||||
write (6,*)
|
write (6,*)
|
||||||
write (6,'(a,/,3(12(x),3(f12.4,x)/))') '<< CRYST >> P / MPa', math_transpose3x3(crystallite_P(1:3,1:3,g,i,e)) / 1e6
|
write (6,'(a,/,3(12(x),3(f12.4,x)/))') '<< CRYST >> P / MPa', math_transpose3x3(crystallite_P(1:3,1:3,g,i,e)) / 1e6
|
||||||
write (6,'(a,/,3(12(x),3(f14.9,x)/))') '<< CRYST >> Fp', math_transpose3x3(crystallite_Fp(1:3,1:3,g,i,e))
|
write (6,'(a,/,3(12(x),3(f14.9,x)/))') '<< CRYST >> Fp', math_transpose3x3(crystallite_Fp(1:3,1:3,g,i,e))
|
||||||
write (6,'(a,/,3(12(x),3(f14.9,x)/))') '<< CRYST >> Lp', math_transpose3x3(crystallite_Lp(1:3,1:3,g,i,e))
|
write (6,'(a,/,3(12(x),3(f14.9,x)/))') '<< CRYST >> Lp', math_transpose3x3(crystallite_Lp(1:3,1:3,g,i,e))
|
||||||
write (6,*)
|
write (6,*)
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
|
|
@ -1007,18 +1000,18 @@ do n = 1,4
|
||||||
if (crystallite_todo(g,i,e)) then
|
if (crystallite_todo(g,i,e)) then
|
||||||
if (crystallite_integrateStress(g,i,e,timeStepFraction(n))) then ! fraction of original times step
|
if (crystallite_integrateStress(g,i,e,timeStepFraction(n))) then ! fraction of original times step
|
||||||
if (n == 4) then ! final integration step
|
if (n == 4) then ! final integration step
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 5 &
|
if (debug_verbosity > 5 &
|
||||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
||||||
mySizeDotState = constitutive_sizeDotState(g,i,e)
|
mySizeDotState = constitutive_sizeDotState(g,i,e)
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> updateState at el ip g ',e,i,g
|
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> updateState at el ip g ',e,i,g
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,/,(12(x),12(e12.5,x)))') '<< CRYST >> dotState', constitutive_dotState(g,i,e)%p(1:mySizeDotState)
|
write(6,'(a,/,(12(x),12(e12.5,x)))') '<< CRYST >> dotState', constitutive_dotState(g,i,e)%p(1:mySizeDotState)
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,/,(12(x),12(e12.5,x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
|
write(6,'(a,/,(12(x),12(e12.5,x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
|
||||||
write(6,*)
|
write(6,*)
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
crystallite_converged(g,i,e) = .true. ! ... converged per definition
|
crystallite_converged(g,i,e) = .true. ! ... converged per definition
|
||||||
crystallite_todo(g,i,e) = .false. ! ... integration done
|
crystallite_todo(g,i,e) = .false. ! ... integration done
|
||||||
if (debug_verbosity > 0) then
|
if (debug_verbosity > 0) then
|
||||||
|
|
@ -1238,13 +1231,11 @@ endif
|
||||||
|
|
||||||
|
|
||||||
! --- FIRST RUNGE KUTTA STEP ---
|
! --- FIRST RUNGE KUTTA STEP ---
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 5) then
|
if (debug_verbosity > 5) then
|
||||||
!$OMP SINGLE
|
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,x,i1)') '<< CRYST >> RUNGE KUTTA STEP',1
|
write(6,'(a,x,i1)') '<< CRYST >> RUNGE KUTTA STEP',1
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
!$OMP END SINGLE
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
!$OMP DO
|
!$OMP DO
|
||||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||||
if (crystallite_todo(g,i,e)) then
|
if (crystallite_todo(g,i,e)) then
|
||||||
|
|
@ -1376,13 +1367,11 @@ do n = 1,5
|
||||||
|
|
||||||
|
|
||||||
! --- dot state and RK dot state---
|
! --- dot state and RK dot state---
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 5) then
|
if (debug_verbosity > 5) then
|
||||||
!$OMP SINGLE
|
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,x,i1)') '<< CRYST >> RUNGE KUTTA STEP',n+1
|
write(6,'(a,x,i1)') '<< CRYST >> RUNGE KUTTA STEP',n+1
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
!$OMP END SINGLE
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
!$OMP DO
|
!$OMP DO
|
||||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||||
if (crystallite_todo(g,i,e)) then
|
if (crystallite_todo(g,i,e)) then
|
||||||
|
|
@ -1502,9 +1491,9 @@ relTemperatureResiduum = 0.0_pReal
|
||||||
.or. abs(stateResiduum(1:mySizeDotState,g,i,e)) < constitutive_aTolState(g,i,e)%p(1:mySizeDotState) ) &
|
.or. abs(stateResiduum(1:mySizeDotState,g,i,e)) < constitutive_aTolState(g,i,e)%p(1:mySizeDotState) ) &
|
||||||
.and. abs(relTemperatureResiduum(g,i,e)) < rTol_crystalliteTemperature )
|
.and. abs(relTemperatureResiduum(g,i,e)) < rTol_crystalliteTemperature )
|
||||||
|
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 5 &
|
if (debug_verbosity > 5 &
|
||||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i5,x,i3,x,i3)') '<< CRYST >> updateState at el ip g ',e,i,g
|
write(6,'(a,i5,x,i3,x,i3)') '<< CRYST >> updateState at el ip g ',e,i,g
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,/,(12(x),12(f12.1,x)))') '<< CRYST >> absolute residuum tolerance', &
|
write(6,'(a,/,(12(x),12(f12.1,x)))') '<< CRYST >> absolute residuum tolerance', &
|
||||||
|
|
@ -1517,9 +1506,8 @@ relTemperatureResiduum = 0.0_pReal
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,/,(12(x),12(e12.5,x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
|
write(6,'(a,/,(12(x),12(e12.5,x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
|
||||||
write(6,*)
|
write(6,*)
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
endif
|
endif
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
!$OMP ENDDO
|
!$OMP ENDDO
|
||||||
|
|
@ -1565,11 +1553,11 @@ relTemperatureResiduum = 0.0_pReal
|
||||||
|
|
||||||
! --- nonlocal convergence check ---
|
! --- nonlocal convergence check ---
|
||||||
|
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 5) then
|
if (debug_verbosity > 5) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,L)') '<< CRYST >> crystallite_converged',crystallite_converged
|
write(6,'(a,L)') '<< CRYST >> crystallite_converged',crystallite_converged
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
if (.not. singleRun) then ! if not requesting Integration of just a single IP
|
if (.not. singleRun) then ! if not requesting Integration of just a single IP
|
||||||
if ( any(.not. crystallite_converged .and. .not. crystallite_localConstitution)) then ! any non-local not yet converged (or broken)...
|
if ( any(.not. crystallite_converged .and. .not. crystallite_localConstitution)) then ! any non-local not yet converged (or broken)...
|
||||||
crystallite_converged = crystallite_converged .and. crystallite_localConstitution ! ...restart all non-local as not converged
|
crystallite_converged = crystallite_converged .and. crystallite_localConstitution ! ...restart all non-local as not converged
|
||||||
|
|
@ -1812,9 +1800,9 @@ relTemperatureResiduum = 0.0_pReal
|
||||||
relTemperatureResiduum(g,i,e) = temperatureResiduum(g,i,e) / crystallite_Temperature(g,i,e)
|
relTemperatureResiduum(g,i,e) = temperatureResiduum(g,i,e) / crystallite_Temperature(g,i,e)
|
||||||
!$OMP FLUSH(relStateResiduum,relTemperatureResiduum)
|
!$OMP FLUSH(relStateResiduum,relTemperatureResiduum)
|
||||||
|
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 5 &
|
if (debug_verbosity > 5 &
|
||||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> updateState at el ip g ',e,i,g
|
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> updateState at el ip g ',e,i,g
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,/,(12(x),12(f12.1,x)))') '<< CRYST >> absolute residuum tolerance', &
|
write(6,'(a,/,(12(x),12(f12.1,x)))') '<< CRYST >> absolute residuum tolerance', &
|
||||||
|
|
@ -1828,9 +1816,8 @@ relTemperatureResiduum = 0.0_pReal
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,/,(12(x),12(e12.5,x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
|
write(6,'(a,/,(12(x),12(e12.5,x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
|
||||||
write(6,*)
|
write(6,*)
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
|
|
||||||
! --- converged ? ---
|
! --- converged ? ---
|
||||||
|
|
||||||
|
|
@ -1854,11 +1841,11 @@ relTemperatureResiduum = 0.0_pReal
|
||||||
|
|
||||||
! --- NONLOCAL CONVERGENCE CHECK ---
|
! --- NONLOCAL CONVERGENCE CHECK ---
|
||||||
|
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 5) then
|
if (debug_verbosity > 5) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,L)') '<< CRYST >> crystallite_converged',crystallite_converged
|
write(6,'(a,L)') '<< CRYST >> crystallite_converged',crystallite_converged
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
if (.not. singleRun) then ! if not requesting Integration of just a single IP
|
if (.not. singleRun) then ! if not requesting Integration of just a single IP
|
||||||
if ( any(.not. crystallite_converged .and. .not. crystallite_localConstitution)) then ! any non-local not yet converged (or broken)...
|
if ( any(.not. crystallite_converged .and. .not. crystallite_localConstitution)) then ! any non-local not yet converged (or broken)...
|
||||||
crystallite_converged = crystallite_converged .and. crystallite_localConstitution ! ...restart all non-local as not converged
|
crystallite_converged = crystallite_converged .and. crystallite_localConstitution ! ...restart all non-local as not converged
|
||||||
|
|
@ -1988,16 +1975,16 @@ endif
|
||||||
endif
|
endif
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
!$OMP ENDDO
|
!$OMP ENDDO
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 5 .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
if (debug_verbosity > 5 .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> updateState at el ip g ',e,i,g
|
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> updateState at el ip g ',e,i,g
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,/,(12(x),12(e12.5,x)))') '<< CRYST >> dotState', constitutive_dotState(debug_g,debug_i,debug_e)%p(1:mySizeDotState)
|
write(6,'(a,/,(12(x),12(e12.5,x)))') '<< CRYST >> dotState', constitutive_dotState(debug_g,debug_i,debug_e)%p(1:mySizeDotState)
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,/,(12(x),12(e12.5,x)))') '<< CRYST >> new state', constitutive_state(debug_g,debug_i,debug_e)%p(1:mySizeDotState)
|
write(6,'(a,/,(12(x),12(e12.5,x)))') '<< CRYST >> new state', constitutive_state(debug_g,debug_i,debug_e)%p(1:mySizeDotState)
|
||||||
write(6,*)
|
write(6,*)
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
|
|
||||||
|
|
||||||
! --- UPDATE DEPENDENT STATES ---
|
! --- UPDATE DEPENDENT STATES ---
|
||||||
|
|
@ -2104,7 +2091,9 @@ real(pReal) dot_prod12, &
|
||||||
dot_prod22
|
dot_prod22
|
||||||
logical singleRun, & ! flag indicating computation for single (g,i,e) triple
|
logical singleRun, & ! flag indicating computation for single (g,i,e) triple
|
||||||
stateConverged, & ! flag indicating convergence of state integration
|
stateConverged, & ! flag indicating convergence of state integration
|
||||||
temperatureConverged ! flag indicating convergence of temperature integration
|
temperatureConverged, & ! flag indicating convergence of temperature integration
|
||||||
|
stateUpdateDone, & ! flag indicating successfull state update
|
||||||
|
temperatureUpdateDone ! flag indicating successfull temperature update
|
||||||
|
|
||||||
|
|
||||||
if (present(ee) .and. present(ii) .and. present(gg)) then
|
if (present(ee) .and. present(ii) .and. present(gg)) then
|
||||||
|
|
@ -2126,7 +2115,7 @@ endif
|
||||||
|
|
||||||
! --- RESET DOTSTATE ---
|
! --- RESET DOTSTATE ---
|
||||||
|
|
||||||
!$OMP PARALLEL PRIVATE(stateConverged,temperatureConverged)
|
!$OMP PARALLEL
|
||||||
|
|
||||||
!$OMP DO
|
!$OMP DO
|
||||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||||
|
|
@ -2154,14 +2143,14 @@ endif
|
||||||
!$OMP SINGLE
|
!$OMP SINGLE
|
||||||
crystallite_statedamper = 1.0_pReal
|
crystallite_statedamper = 1.0_pReal
|
||||||
!$OMP END SINGLE
|
!$OMP END SINGLE
|
||||||
!$OMP DO
|
!$OMP DO PRIVATE(stateUpdateDone,temperatureUpdateDone,stateConverged,temperatureConverged)
|
||||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||||
if (crystallite_todo(g,i,e)) then
|
if (crystallite_todo(g,i,e)) then
|
||||||
call crystallite_updateState(crystallite_todo(g,i,e), stateConverged, g,i,e) ! update state
|
call crystallite_updateState(stateUpdateDone, stateConverged, g,i,e) ! update state
|
||||||
!$OMP FLUSH(crystallite_todo)
|
call crystallite_updateTemperature(temperatureUpdateDone, temperatureConverged, g,i,e) ! update temperature
|
||||||
call crystallite_updateTemperature(crystallite_todo(g,i,e), temperatureConverged, g,i,e) ! update temperature
|
crystallite_todo(g,i,e) = stateUpdateDone .and. temperatureUpdateDone
|
||||||
!$OMP FLUSH(crystallite_todo)
|
if ( (.not. stateUpdateDone .or. .not. temperatureUpdateDone) &
|
||||||
if ( .not. crystallite_localConstitution(g,i,e) .and. .not. crystallite_todo(g,i,e) ) then ! if updateState or updateTemperature signals broken non-local...
|
.and. .not. crystallite_localConstitution(g,i,e) ) then ! if updateState or updateTemperature signals broken non-local...
|
||||||
!$OMP CRITICAL (checkTodo)
|
!$OMP CRITICAL (checkTodo)
|
||||||
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
|
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
|
||||||
!$OMP END CRITICAL (checkTodo)
|
!$OMP END CRITICAL (checkTodo)
|
||||||
|
|
@ -2184,16 +2173,17 @@ endif
|
||||||
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
|
constitutive_dotState(g,i,e)%p = 0.0_pReal ! reset dotState to zero
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
!$OMP ENDDO
|
!$OMP ENDDO
|
||||||
|
|
||||||
!$OMP END PARALLEL
|
!$OMP END PARALLEL
|
||||||
|
|
||||||
|
|
||||||
! --+>> STATE LOOP <<+--
|
! --+>> STATE LOOP <<+--
|
||||||
|
|
||||||
NiterationState = 0_pInt
|
NiterationState = 0_pInt
|
||||||
do while (any(crystallite_todo) .and. NiterationState < nState ) ! convergence loop for crystallite
|
do while (any(crystallite_todo) .and. NiterationState < nState ) ! convergence loop for crystallite
|
||||||
NiterationState = NiterationState + 1_pInt
|
NiterationState = NiterationState + 1_pInt
|
||||||
|
|
||||||
!$OMP PARALLEL PRIVATE(stateConverged,temperatureConverged)
|
!$OMP PARALLEL
|
||||||
|
|
||||||
|
|
||||||
! --- STRESS INTEGRATION ---
|
! --- STRESS INTEGRATION ---
|
||||||
|
|
||||||
|
|
@ -2213,13 +2203,11 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
!$OMP ENDDO
|
!$OMP ENDDO
|
||||||
|
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 5) then
|
if (debug_verbosity > 5) then
|
||||||
!$OMP SINGLE
|
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo after stress integration'
|
write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo after stress integration'
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
!$OMP END SINGLE
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
|
|
||||||
|
|
||||||
! --- DOT STATES ---
|
! --- DOT STATES ---
|
||||||
|
|
@ -2239,7 +2227,7 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
|
||||||
!$OMP SINGLE
|
!$OMP SINGLE
|
||||||
crystallite_statedamper = 1.0_pReal
|
crystallite_statedamper = 1.0_pReal
|
||||||
!$OMP END SINGLE
|
!$OMP END SINGLE
|
||||||
!$OMP DO PRIVATE(dot_prod12,dot_prod22)
|
!$OMP DO PRIVATE(dot_prod12,dot_prod22,stateUpdateDone,temperatureUpdateDone,stateConverged,temperatureConverged)
|
||||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||||
if (crystallite_todo(g,i,e)) then
|
if (crystallite_todo(g,i,e)) then
|
||||||
|
|
||||||
|
|
@ -2258,12 +2246,12 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
|
||||||
|
|
||||||
! --- updates ---
|
! --- updates ---
|
||||||
|
|
||||||
call crystallite_updateState(crystallite_todo(g,i,e), stateConverged, g,i,e) ! update state
|
call crystallite_updateState(stateUpdateDone, stateConverged, g,i,e) ! update state
|
||||||
!$OMP FLUSH(crystallite_todo)
|
call crystallite_updateTemperature(temperatureUpdateDone, temperatureConverged, g,i,e) ! update temperature
|
||||||
call crystallite_updateTemperature(crystallite_todo(g,i,e), temperatureConverged, g,i,e) ! update temperature
|
crystallite_todo(g,i,e) = stateUpdateDone .and. temperatureUpdateDone
|
||||||
!$OMP FLUSH(crystallite_todo)
|
|
||||||
crystallite_converged(g,i,e) = stateConverged .and. temperatureConverged
|
crystallite_converged(g,i,e) = stateConverged .and. temperatureConverged
|
||||||
if ( .not. crystallite_localConstitution(g,i,e) .and. .not. crystallite_todo(g,i,e)) then ! if updateState or updateTemperature signals broken non-local...
|
if ( (.not. stateUpdateDone .or. .not. temperatureUpdateDone) &
|
||||||
|
.and. .not. crystallite_localConstitution(g,i,e) ) then ! if updateState or updateTemperature signals broken non-local...
|
||||||
!$OMP CRITICAL (checkTodo)
|
!$OMP CRITICAL (checkTodo)
|
||||||
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
|
crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! ...all non-locals skipped
|
||||||
!$OMP END CRITICAL (checkTodo)
|
!$OMP END CRITICAL (checkTodo)
|
||||||
|
|
@ -2296,13 +2284,13 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
|
||||||
|
|
||||||
!$OMP END PARALLEL
|
!$OMP END PARALLEL
|
||||||
|
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 5) then
|
if (debug_verbosity > 5) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i8,a,i2)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), &
|
write(6,'(a,i8,a,i2)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), &
|
||||||
' grains converged after state integration no. ', NiterationState
|
' grains converged after state integration no. ', NiterationState
|
||||||
write(6,*)
|
write(6,*)
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
|
|
||||||
|
|
||||||
! --- CONVERGENCE CHECK ---
|
! --- CONVERGENCE CHECK ---
|
||||||
|
|
@ -2314,14 +2302,14 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
|
||||||
endif
|
endif
|
||||||
crystallite_todo = crystallite_todo .and. .not. crystallite_converged ! skip all converged
|
crystallite_todo = crystallite_todo .and. .not. crystallite_converged ! skip all converged
|
||||||
|
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 5) then
|
if (debug_verbosity > 5) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_converged(:,:,:)),' grains converged after non-local check'
|
write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_converged(:,:,:)),' grains converged after non-local check'
|
||||||
write(6,'(a,i8,a,i2)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo after state integration no. ',&
|
write(6,'(a,i8,a,i2)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo after state integration no. ',&
|
||||||
NiterationState
|
NiterationState
|
||||||
write(6,*)
|
write(6,*)
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
|
|
||||||
enddo ! crystallite convergence loop
|
enddo ! crystallite convergence loop
|
||||||
|
|
||||||
|
|
@ -2388,11 +2376,11 @@ dotState(1:mySize) = constitutive_dotState(g,i,e)%p(1:mySize) * crystallite_stat
|
||||||
residuum = constitutive_state(g,i,e)%p(1:mySize) - constitutive_subState0(g,i,e)%p(1:mySize) &
|
residuum = constitutive_state(g,i,e)%p(1:mySize) - constitutive_subState0(g,i,e)%p(1:mySize) &
|
||||||
- dotState(1:mySize) * crystallite_subdt(g,i,e)
|
- dotState(1:mySize) * crystallite_subdt(g,i,e)
|
||||||
if (any(residuum /= residuum)) then ! if NaN occured then return without changing the state
|
if (any(residuum /= residuum)) then ! if NaN occured then return without changing the state
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 4) then
|
if (debug_verbosity > 4) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> updateState encountered NaN at el ip g ',e,i,g
|
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> updateState encountered NaN at el ip g ',e,i,g
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
return
|
return
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
|
@ -2404,8 +2392,8 @@ done = .true.
|
||||||
converged = all( abs(residuum) < constitutive_aTolState(g,i,e)%p(1:mySize) &
|
converged = all( abs(residuum) < constitutive_aTolState(g,i,e)%p(1:mySize) &
|
||||||
.or. abs(residuum) < rTol_crystalliteState * abs(state(1:mySize)) )
|
.or. abs(residuum) < rTol_crystalliteState * abs(state(1:mySize)) )
|
||||||
|
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 5 .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
if (debug_verbosity > 5 .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
if (converged) then
|
if (converged) then
|
||||||
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> updateState converged at el ip g ',e,i,g
|
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> updateState converged at el ip g ',e,i,g
|
||||||
else
|
else
|
||||||
|
|
@ -2418,8 +2406,8 @@ if (debug_verbosity > 5 .and. ((e == debug_e .and. i == debug_i .and. g == debug
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,/,(12(x),12(e12.5,x)))') '<< CRYST >> new state',state(1:mySize)
|
write(6,'(a,/,(12(x),12(e12.5,x)))') '<< CRYST >> new state',state(1:mySize)
|
||||||
write(6,*)
|
write(6,*)
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
|
|
||||||
|
|
||||||
!* sync global state and dotState with local copies
|
!* sync global state and dotState with local copies
|
||||||
|
|
@ -2471,11 +2459,11 @@ residuum = crystallite_Temperature(g,i,e) - crystallite_subTemperature0(g,i,e) &
|
||||||
- constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e),crystallite_Temperature(g,i,e),g,i,e) &
|
- constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e),crystallite_Temperature(g,i,e),g,i,e) &
|
||||||
* crystallite_subdt(g,i,e)
|
* crystallite_subdt(g,i,e)
|
||||||
if (residuum /= residuum) then
|
if (residuum /= residuum) then
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 4) then
|
if (debug_verbosity > 4) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> updateTemperature encountered NaN at el ip g ',e,i,g
|
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> updateTemperature encountered NaN at el ip g ',e,i,g
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
return
|
return
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
|
@ -2598,11 +2586,11 @@ integer(pLongInt) tick, &
|
||||||
!* be pessimistic
|
!* be pessimistic
|
||||||
|
|
||||||
crystallite_integrateStress = .false.
|
crystallite_integrateStress = .false.
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 5 .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
if (debug_verbosity > 5 .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> integrateStress at el ip g ',e,i,g
|
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> integrateStress at el ip g ',e,i,g
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
|
|
||||||
|
|
||||||
!* only integrate over fraction of timestep?
|
!* only integrate over fraction of timestep?
|
||||||
|
|
@ -2628,15 +2616,15 @@ Lpguess = crystallite_Lp(1:3,1:3,g,i,e) ! ... and tak
|
||||||
|
|
||||||
invFp_current = math_inv3x3(Fp_current)
|
invFp_current = math_inv3x3(Fp_current)
|
||||||
if (all(invFp_current == 0.0_pReal)) then ! ... failed?
|
if (all(invFp_current == 0.0_pReal)) then ! ... failed?
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 4) then
|
if (debug_verbosity > 4) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> integrateStress failed on invFp_current inversion at el ip g ',e,i,g
|
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> integrateStress failed on invFp_current inversion at el ip g ',e,i,g
|
||||||
if (debug_verbosity > 5 .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
if (debug_verbosity > 5 .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,/,3(12(x),3(f12.7,x)/))') '<< CRYST >> invFp_new',math_transpose3x3(invFp_new(1:3,1:3))
|
write(6,'(a,/,3(12(x),3(f12.7,x)/))') '<< CRYST >> invFp_new',math_transpose3x3(invFp_new(1:3,1:3))
|
||||||
endif
|
endif
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
return
|
return
|
||||||
endif
|
endif
|
||||||
A = math_mul33x33(transpose(invFp_current), math_mul33x33(transpose(Fg_new),math_mul33x33(Fg_new,invFp_current)))
|
A = math_mul33x33(transpose(invFp_current), math_mul33x33(transpose(Fg_new),math_mul33x33(Fg_new,invFp_current)))
|
||||||
|
|
@ -2662,12 +2650,12 @@ LpLoop: do
|
||||||
!* too many loops required ?
|
!* too many loops required ?
|
||||||
|
|
||||||
if (NiterationStress > nStress) then
|
if (NiterationStress > nStress) then
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 4) then
|
if (debug_verbosity > 4) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> integrateStress reached loop limit at el ip g ',e,i,g
|
write(6,'(a,i5,x,i2,x,i3)') '<< CRYST >> integrateStress reached loop limit at el ip g ',e,i,g
|
||||||
write(6,*)
|
write(6,*)
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
return
|
return
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
|
@ -2700,15 +2688,15 @@ LpLoop: do
|
||||||
!$OMP END CRITICAL (debugTimingLpTangent)
|
!$OMP END CRITICAL (debugTimingLpTangent)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 5 .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger) &
|
if (debug_verbosity > 5 .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger) &
|
||||||
.and. numerics_integrationMode == 1_pInt) then
|
.and. numerics_integrationMode == 1_pInt) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i3)') '<< CRYST >> iteration ', NiterationStress
|
write(6,'(a,i3)') '<< CRYST >> iteration ', NiterationStress
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,/,3(12(x),3(e20.7,x)/))') '<< CRYST >> Lp_constitutive', math_transpose3x3(Lp_constitutive)
|
write(6,'(a,/,3(12(x),3(e20.7,x)/))') '<< CRYST >> Lp_constitutive', math_transpose3x3(Lp_constitutive)
|
||||||
write(6,'(a,/,3(12(x),3(e20.7,x)/))') '<< CRYST >> Lpguess', math_transpose3x3(Lpguess)
|
write(6,'(a,/,3(12(x),3(e20.7,x)/))') '<< CRYST >> Lpguess', math_transpose3x3(Lpguess)
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
|
|
||||||
|
|
||||||
!* update current residuum and check for convergence of loop
|
!* update current residuum and check for convergence of loop
|
||||||
|
|
@ -2728,13 +2716,13 @@ LpLoop: do
|
||||||
!* NaN occured at regular speed? -> return
|
!* NaN occured at regular speed? -> return
|
||||||
|
|
||||||
if (any(residuum/=residuum) .and. leapfrog == 1.0) then
|
if (any(residuum/=residuum) .and. leapfrog == 1.0) then
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 4) then
|
if (debug_verbosity > 4) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i5,x,i2,x,i3,a,i3,a)') '<< CRYST >> integrateStress encountered NaN at el ip g ',e,i,g,&
|
write(6,'(a,i5,x,i2,x,i3,a,i3,a)') '<< CRYST >> integrateStress encountered NaN at el ip g ',e,i,g,&
|
||||||
' ; iteration ', NiterationStress,&
|
' ; iteration ', NiterationStress,&
|
||||||
' >> returning..!'
|
' >> returning..!'
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
return
|
return
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -2746,12 +2734,12 @@ LpLoop: do
|
||||||
any(residuum/=residuum) & ! NaN occured
|
any(residuum/=residuum) & ! NaN occured
|
||||||
) &
|
) &
|
||||||
) then
|
) then
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 5) then
|
if (debug_verbosity > 5) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i5,x,i2,x,i3,x,a,i3)') '<< CRYST >> integrateStress encountered high-speed crash at el ip g ',e,i,g,&
|
write(6,'(a,i5,x,i2,x,i3,x,a,i3)') '<< CRYST >> integrateStress encountered high-speed crash at el ip g ',e,i,g,&
|
||||||
'; iteration ', NiterationStress
|
'; iteration ', NiterationStress
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
maxleap = 0.5_pReal * leapfrog ! limit next acceleration
|
maxleap = 0.5_pReal * leapfrog ! limit next acceleration
|
||||||
leapfrog = 1.0_pReal ! grinding halt
|
leapfrog = 1.0_pReal ! grinding halt
|
||||||
jacoCounter = 0_pInt ! reset counter for Jacobian update (we want to do an update next time!)
|
jacoCounter = 0_pInt ! reset counter for Jacobian update (we want to do an update next time!)
|
||||||
|
|
@ -2778,8 +2766,8 @@ LpLoop: do
|
||||||
invdRdLp = 0.0_pReal
|
invdRdLp = 0.0_pReal
|
||||||
call math_invert(9,dRdLp,invdRdLp,dummy,error) ! invert dR/dLp --> dLp/dR
|
call math_invert(9,dRdLp,invdRdLp,dummy,error) ! invert dR/dLp --> dLp/dR
|
||||||
if (error) then
|
if (error) then
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 4) then
|
if (debug_verbosity > 4) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i5,x,i2,x,i3,a,i3)') '<< CRYST >> integrateStress failed on dR/dLp inversion at el ip g ',e,i,g,&
|
write(6,'(a,i5,x,i2,x,i3,a,i3)') '<< CRYST >> integrateStress failed on dR/dLp inversion at el ip g ',e,i,g,&
|
||||||
' ; iteration ', NiterationStress
|
' ; iteration ', NiterationStress
|
||||||
if (debug_verbosity > 5 &
|
if (debug_verbosity > 5 &
|
||||||
|
|
@ -2790,8 +2778,8 @@ LpLoop: do
|
||||||
write(6,'(a,/,3(12(x),3(e20.7,x)/))') '<< CRYST >> Lp_constitutive',math_transpose3x3(Lp_constitutive)
|
write(6,'(a,/,3(12(x),3(e20.7,x)/))') '<< CRYST >> Lp_constitutive',math_transpose3x3(Lp_constitutive)
|
||||||
write(6,'(a,/,3(12(x),3(e20.7,x)/))') '<< CRYST >> Lpguess',math_transpose3x3(Lpguess)
|
write(6,'(a,/,3(12(x),3(e20.7,x)/))') '<< CRYST >> Lpguess',math_transpose3x3(Lpguess)
|
||||||
endif
|
endif
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
return
|
return
|
||||||
endif
|
endif
|
||||||
endif
|
endif
|
||||||
|
|
@ -2822,16 +2810,16 @@ invFp_new = math_mul33x33(invFp_current,B)
|
||||||
invFp_new = invFp_new/math_det3x3(invFp_new)**(1.0_pReal/3.0_pReal) ! regularize by det
|
invFp_new = invFp_new/math_det3x3(invFp_new)**(1.0_pReal/3.0_pReal) ! regularize by det
|
||||||
call math_invert3x3(invFp_new,Fp_new,det,error)
|
call math_invert3x3(invFp_new,Fp_new,det,error)
|
||||||
if (error) then
|
if (error) then
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 4) then
|
if (debug_verbosity > 4) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,i5,x,i2,x,i3,a,i3)') '<< CRYST >> integrateStress failed on invFp_new inversion at el ip g ',e,i,g, &
|
write(6,'(a,i5,x,i2,x,i3,a,i3)') '<< CRYST >> integrateStress failed on invFp_new inversion at el ip g ',e,i,g, &
|
||||||
' ; iteration ', NiterationStress
|
' ; iteration ', NiterationStress
|
||||||
if (debug_verbosity > 5 .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
if (debug_verbosity > 5 .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger)) then
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,'(a,/,3(12(x),3(f12.7,x)/))') '<< CRYST >> invFp_new',math_transpose3x3(invFp_new)
|
write(6,'(a,/,3(12(x),3(f12.7,x)/))') '<< CRYST >> invFp_new',math_transpose3x3(invFp_new)
|
||||||
endif
|
endif
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
return
|
return
|
||||||
endif
|
endif
|
||||||
Fe_new = math_mul33x33(Fg_new,invFp_new) ! calc resulting Fe
|
Fe_new = math_mul33x33(Fg_new,invFp_new) ! calc resulting Fe
|
||||||
|
|
@ -2855,17 +2843,17 @@ crystallite_invFp(1:3,1:3,g,i,e) = invFp_new
|
||||||
!* set return flag to true
|
!* set return flag to true
|
||||||
|
|
||||||
crystallite_integrateStress = .true.
|
crystallite_integrateStress = .true.
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 5 .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger) &
|
if (debug_verbosity > 5 .and. ((e == debug_e .and. i == debug_i .and. g == debug_g) .or. .not. debug_selectiveDebugger) &
|
||||||
.and. numerics_integrationMode == 1_pInt) then
|
.and. numerics_integrationMode == 1_pInt) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,/,3(12(x),3(f12.7,x)/))') '<< CRYST >> P / MPa',math_transpose3x3(crystallite_P(1:3,1:3,g,i,e))/1e6
|
write(6,'(a,/,3(12(x),3(f12.7,x)/))') '<< CRYST >> P / MPa',math_transpose3x3(crystallite_P(1:3,1:3,g,i,e))/1e6
|
||||||
write(6,'(a,/,3(12(x),3(f12.7,x)/))') '<< CRYST >> Cauchy / MPa', &
|
write(6,'(a,/,3(12(x),3(f12.7,x)/))') '<< CRYST >> Cauchy / MPa', &
|
||||||
math_mul33x33(crystallite_P(1:3,1:3,g,i,e), math_transpose3x3(Fg_new)) / 1e6 / math_det3x3(Fg_new)
|
math_mul33x33(crystallite_P(1:3,1:3,g,i,e), math_transpose3x3(Fg_new)) / 1e6 / math_det3x3(Fg_new)
|
||||||
write(6,'(a,/,3(12(x),3(f12.7,x)/))') '<< CRYST >> Fe Lp Fe^-1', &
|
write(6,'(a,/,3(12(x),3(f12.7,x)/))') '<< CRYST >> Fe Lp Fe^-1', &
|
||||||
math_transpose3x3(math_mul33x33(Fe_new, math_mul33x33(crystallite_Lp(1:3,1:3,g,i,e), math_inv3x3(Fe_new)))) ! transpose to get correct print out order
|
math_transpose3x3(math_mul33x33(Fe_new, math_mul33x33(crystallite_Lp(1:3,1:3,g,i,e), math_inv3x3(Fe_new)))) ! transpose to get correct print out order
|
||||||
write(6,'(a,/,3(12(x),3(f12.7,x)/))') '<< CRYST >> Fp',math_transpose3x3(crystallite_Fp(1:3,1:3,g,i,e))
|
write(6,'(a,/,3(12(x),3(f12.7,x)/))') '<< CRYST >> Fp',math_transpose3x3(crystallite_Fp(1:3,1:3,g,i,e))
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
|
|
||||||
if (debug_verbosity > 0) then
|
if (debug_verbosity > 0) then
|
||||||
!$OMP CRITICAL (distributionStress)
|
!$OMP CRITICAL (distributionStress)
|
||||||
|
|
|
||||||
|
|
@ -53,36 +53,41 @@ CONTAINS
|
||||||
!* Module initialization *
|
!* Module initialization *
|
||||||
!**************************************
|
!**************************************
|
||||||
subroutine homogenization_init(Temperature)
|
subroutine homogenization_init(Temperature)
|
||||||
use prec, only: pReal,pInt
|
use prec, only: pReal,pInt
|
||||||
use math, only: math_I3
|
use math, only: math_I3
|
||||||
use debug, only: debug_verbosity
|
use debug, only: debug_verbosity
|
||||||
use IO, only: IO_error, IO_open_file, IO_open_jobFile
|
use IO, only: IO_error, IO_open_file, IO_open_jobFile
|
||||||
use mesh, only: mesh_maxNips,mesh_NcpElems,mesh_element,FE_Nips
|
use mesh, only: mesh_maxNips,mesh_NcpElems,mesh_element,FE_Nips
|
||||||
use material
|
use material
|
||||||
use constitutive, only: constitutive_maxSizePostResults
|
use constitutive, only: constitutive_maxSizePostResults
|
||||||
use crystallite, only: crystallite_maxSizePostResults
|
use crystallite, only: crystallite_maxSizePostResults
|
||||||
use homogenization_isostrain
|
use homogenization_isostrain
|
||||||
use homogenization_RGC
|
use homogenization_RGC
|
||||||
|
|
||||||
real(pReal) Temperature
|
implicit none
|
||||||
integer(pInt), parameter :: fileunit = 200
|
|
||||||
integer(pInt) e,i,g,p,myInstance,j
|
|
||||||
integer(pInt), dimension(:,:), pointer :: thisSize
|
|
||||||
character(len=64), dimension(:,:), pointer :: thisOutput
|
|
||||||
logical knownHomogenization
|
|
||||||
|
|
||||||
if(.not. IO_open_file(fileunit,material_configFile)) call IO_error (100) ! corrupt config file
|
real(pReal) Temperature
|
||||||
|
integer(pInt), parameter :: fileunit = 200
|
||||||
|
integer(pInt) e,i,g,p,myInstance,j
|
||||||
|
integer(pInt), dimension(:,:), pointer :: thisSize
|
||||||
|
character(len=64), dimension(:,:), pointer :: thisOutput
|
||||||
|
logical knownHomogenization
|
||||||
|
|
||||||
call homogenization_isostrain_init(fileunit) ! parse all homogenizations of this type
|
|
||||||
call homogenization_RGC_init(fileunit)
|
|
||||||
|
|
||||||
close(fileunit)
|
! --- PARSE HOMOGENIZATIONS FROM CONFIG FILE ---
|
||||||
|
|
||||||
! write description file for homogenization output
|
if(.not. IO_open_file(fileunit,material_configFile)) call IO_error (100) ! corrupt config file
|
||||||
|
call homogenization_isostrain_init(fileunit)
|
||||||
|
call homogenization_RGC_init(fileunit)
|
||||||
|
close(fileunit)
|
||||||
|
|
||||||
if(.not. IO_open_jobFile(fileunit,'outputHomogenization')) call IO_error (50) ! problems in writing file
|
|
||||||
|
|
||||||
do p = 1,material_Nhomogenization
|
! --- WRITE DESCRIPTION FILE FOR HOMOGENIZATION OUTPUT ---
|
||||||
|
|
||||||
|
if(.not. IO_open_jobFile(fileunit,'outputHomogenization')) then ! problems in writing file
|
||||||
|
call IO_error (50)
|
||||||
|
endif
|
||||||
|
do p = 1,material_Nhomogenization
|
||||||
i = homogenization_typeInstance(p) ! which instance of this homogenization type
|
i = homogenization_typeInstance(p) ! which instance of this homogenization type
|
||||||
knownHomogenization = .true. ! assume valid
|
knownHomogenization = .true. ! assume valid
|
||||||
select case(homogenization_type(p)) ! split per homogenization type
|
select case(homogenization_type(p)) ! split per homogenization type
|
||||||
|
|
@ -95,7 +100,6 @@ subroutine homogenization_init(Temperature)
|
||||||
case default
|
case default
|
||||||
knownHomogenization = .false.
|
knownHomogenization = .false.
|
||||||
end select
|
end select
|
||||||
|
|
||||||
write(fileunit,*)
|
write(fileunit,*)
|
||||||
write(fileunit,'(a)') '['//trim(homogenization_name(p))//']'
|
write(fileunit,'(a)') '['//trim(homogenization_name(p))//']'
|
||||||
write(fileunit,*)
|
write(fileunit,*)
|
||||||
|
|
@ -106,41 +110,45 @@ subroutine homogenization_init(Temperature)
|
||||||
write(fileunit,'(a,i4)') trim(thisOutput(e,i))//char(9),thisSize(e,i)
|
write(fileunit,'(a,i4)') trim(thisOutput(e,i))//char(9),thisSize(e,i)
|
||||||
enddo
|
enddo
|
||||||
endif
|
endif
|
||||||
enddo
|
enddo
|
||||||
|
close(fileunit)
|
||||||
close(fileunit)
|
|
||||||
|
|
||||||
|
|
||||||
allocate(homogenization_state0(mesh_maxNips,mesh_NcpElems))
|
! --- ALLOCATE AND INITIALIZE GLOBAL VARIABLES ---
|
||||||
allocate(homogenization_subState0(mesh_maxNips,mesh_NcpElems))
|
|
||||||
allocate(homogenization_state(mesh_maxNips,mesh_NcpElems))
|
|
||||||
allocate(homogenization_sizeState(mesh_maxNips,mesh_NcpElems)); homogenization_sizeState = 0_pInt
|
|
||||||
allocate(homogenization_sizePostResults(mesh_maxNips,mesh_NcpElems)); homogenization_sizePostResults = 0_pInt
|
|
||||||
|
|
||||||
allocate(materialpoint_dPdF(3,3,3,3,mesh_maxNips,mesh_NcpElems)); materialpoint_dPdF = 0.0_pReal
|
allocate(homogenization_state0(mesh_maxNips,mesh_NcpElems))
|
||||||
allocate(materialpoint_F0(3,3,mesh_maxNips,mesh_NcpElems));
|
allocate(homogenization_subState0(mesh_maxNips,mesh_NcpElems))
|
||||||
allocate(materialpoint_F(3,3,mesh_maxNips,mesh_NcpElems)); materialpoint_F = 0.0_pReal
|
allocate(homogenization_state(mesh_maxNips,mesh_NcpElems))
|
||||||
allocate(materialpoint_subF0(3,3,mesh_maxNips,mesh_NcpElems)); materialpoint_subF0 = 0.0_pReal
|
allocate(homogenization_sizeState(mesh_maxNips,mesh_NcpElems)); homogenization_sizeState = 0_pInt
|
||||||
allocate(materialpoint_subF(3,3,mesh_maxNips,mesh_NcpElems)); materialpoint_subF = 0.0_pReal
|
allocate(homogenization_sizePostResults(mesh_maxNips,mesh_NcpElems)); homogenization_sizePostResults = 0_pInt
|
||||||
allocate(materialpoint_P(3,3,mesh_maxNips,mesh_NcpElems)); materialpoint_P = 0.0_pReal
|
|
||||||
allocate(materialpoint_Temperature(mesh_maxNips,mesh_NcpElems)); materialpoint_Temperature = Temperature
|
|
||||||
allocate(materialpoint_subFrac(mesh_maxNips,mesh_NcpElems)); materialpoint_subFrac = 0.0_pReal
|
|
||||||
allocate(materialpoint_subStep(mesh_maxNips,mesh_NcpElems)); materialpoint_subStep = 0.0_pReal
|
|
||||||
allocate(materialpoint_subdt(mesh_maxNips,mesh_NcpElems)); materialpoint_subdt = 0.0_pReal
|
|
||||||
allocate(materialpoint_requested(mesh_maxNips,mesh_NcpElems)); materialpoint_requested = .false.
|
|
||||||
allocate(materialpoint_converged(mesh_maxNips,mesh_NcpElems)); materialpoint_converged = .true.
|
|
||||||
allocate(materialpoint_doneAndHappy(2,mesh_maxNips,mesh_NcpElems)); materialpoint_doneAndHappy = .true.
|
|
||||||
|
|
||||||
forall (i = 1:mesh_maxNips,e = 1:mesh_NcpElems)
|
allocate(materialpoint_dPdF(3,3,3,3,mesh_maxNips,mesh_NcpElems)); materialpoint_dPdF = 0.0_pReal
|
||||||
|
allocate(materialpoint_F0(3,3,mesh_maxNips,mesh_NcpElems));
|
||||||
|
allocate(materialpoint_F(3,3,mesh_maxNips,mesh_NcpElems)); materialpoint_F = 0.0_pReal
|
||||||
|
allocate(materialpoint_subF0(3,3,mesh_maxNips,mesh_NcpElems)); materialpoint_subF0 = 0.0_pReal
|
||||||
|
allocate(materialpoint_subF(3,3,mesh_maxNips,mesh_NcpElems)); materialpoint_subF = 0.0_pReal
|
||||||
|
allocate(materialpoint_P(3,3,mesh_maxNips,mesh_NcpElems)); materialpoint_P = 0.0_pReal
|
||||||
|
allocate(materialpoint_Temperature(mesh_maxNips,mesh_NcpElems)); materialpoint_Temperature = Temperature
|
||||||
|
allocate(materialpoint_subFrac(mesh_maxNips,mesh_NcpElems)); materialpoint_subFrac = 0.0_pReal
|
||||||
|
allocate(materialpoint_subStep(mesh_maxNips,mesh_NcpElems)); materialpoint_subStep = 0.0_pReal
|
||||||
|
allocate(materialpoint_subdt(mesh_maxNips,mesh_NcpElems)); materialpoint_subdt = 0.0_pReal
|
||||||
|
allocate(materialpoint_requested(mesh_maxNips,mesh_NcpElems)); materialpoint_requested = .false.
|
||||||
|
allocate(materialpoint_converged(mesh_maxNips,mesh_NcpElems)); materialpoint_converged = .true.
|
||||||
|
allocate(materialpoint_doneAndHappy(2,mesh_maxNips,mesh_NcpElems)); materialpoint_doneAndHappy = .true.
|
||||||
|
|
||||||
|
forall (i = 1:mesh_maxNips,e = 1:mesh_NcpElems)
|
||||||
materialpoint_F0(1:3,1:3,i,e) = math_I3
|
materialpoint_F0(1:3,1:3,i,e) = math_I3
|
||||||
materialpoint_F(1:3,1:3,i,e) = math_I3
|
materialpoint_F(1:3,1:3,i,e) = math_I3
|
||||||
end forall
|
end forall
|
||||||
|
|
||||||
|
|
||||||
|
! --- ALLOCATE AND INITIALIZE GLOBAL STATE AND POSTRESULTS VARIABLES ---
|
||||||
|
|
||||||
|
!$OMP PARALLEL DO PRIVATE(myInstance)
|
||||||
do e = 1,mesh_NcpElems ! loop over elements
|
do e = 1,mesh_NcpElems ! loop over elements
|
||||||
myInstance = homogenization_typeInstance(mesh_element(3,e))
|
myInstance = homogenization_typeInstance(mesh_element(3,e))
|
||||||
do i = 1,FE_Nips(mesh_element(2,e)) ! loop over IPs
|
do i = 1,FE_Nips(mesh_element(2,e)) ! loop over IPs
|
||||||
select case(homogenization_type(mesh_element(3,e)))
|
select case(homogenization_type(mesh_element(3,e)))
|
||||||
!* isostrain
|
|
||||||
case (homogenization_isostrain_label)
|
case (homogenization_isostrain_label)
|
||||||
if (homogenization_isostrain_sizeState(myInstance) > 0_pInt) then
|
if (homogenization_isostrain_sizeState(myInstance) > 0_pInt) then
|
||||||
allocate(homogenization_state0(i,e)%p(homogenization_isostrain_sizeState(myInstance)))
|
allocate(homogenization_state0(i,e)%p(homogenization_isostrain_sizeState(myInstance)))
|
||||||
|
|
@ -150,7 +158,6 @@ subroutine homogenization_init(Temperature)
|
||||||
homogenization_sizeState(i,e) = homogenization_isostrain_sizeState(myInstance)
|
homogenization_sizeState(i,e) = homogenization_isostrain_sizeState(myInstance)
|
||||||
endif
|
endif
|
||||||
homogenization_sizePostResults(i,e) = homogenization_isostrain_sizePostResults(myInstance)
|
homogenization_sizePostResults(i,e) = homogenization_isostrain_sizePostResults(myInstance)
|
||||||
!* RGC homogenization
|
|
||||||
case (homogenization_RGC_label)
|
case (homogenization_RGC_label)
|
||||||
if (homogenization_RGC_sizeState(myInstance) > 0_pInt) then
|
if (homogenization_RGC_sizeState(myInstance) > 0_pInt) then
|
||||||
allocate(homogenization_state0(i,e)%p(homogenization_RGC_sizeState(myInstance)))
|
allocate(homogenization_state0(i,e)%p(homogenization_RGC_sizeState(myInstance)))
|
||||||
|
|
@ -165,17 +172,16 @@ subroutine homogenization_init(Temperature)
|
||||||
end select
|
end select
|
||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
|
!$OMP END PARALLEL DO
|
||||||
homogenization_maxSizeState = maxval(homogenization_sizeState)
|
homogenization_maxSizeState = maxval(homogenization_sizeState)
|
||||||
homogenization_maxSizePostResults = maxval(homogenization_sizePostResults)
|
homogenization_maxSizePostResults = maxval(homogenization_sizePostResults)
|
||||||
|
materialpoint_sizeResults = 1 & ! grain count
|
||||||
materialpoint_sizeResults = 1+ 1+homogenization_maxSizePostResults + & ! grain count, homogSize, homogResult
|
+ 1 + homogenization_maxSizePostResults & ! homogSize & homogResult
|
||||||
homogenization_maxNgrains*(1+crystallite_maxSizePostResults+ & ! results count, cryst results
|
+ homogenization_maxNgrains * (1 + crystallite_maxSizePostResults & ! crystallite size & crystallite results
|
||||||
1+constitutive_maxSizePostResults) ! results count, constitutive results
|
+ 1 + constitutive_maxSizePostResults) ! constitutive size & constitutive results
|
||||||
allocate(materialpoint_results(materialpoint_sizeResults, mesh_maxNips,mesh_NcpElems))
|
allocate(materialpoint_results(materialpoint_sizeResults,mesh_maxNips,mesh_NcpElems))
|
||||||
|
|
||||||
|
|
||||||
! *** Output to MARC output file ***
|
|
||||||
!$OMP CRITICAL (write2out)
|
!$OMP CRITICAL (write2out)
|
||||||
write(6,*)
|
write(6,*)
|
||||||
write(6,*) '<<<+- homogenization init -+>>>'
|
write(6,*) '<<<+- homogenization init -+>>>'
|
||||||
|
|
@ -210,8 +216,6 @@ subroutine homogenization_init(Temperature)
|
||||||
call flush(6)
|
call flush(6)
|
||||||
!$OMP END CRITICAL (write2out)
|
!$OMP END CRITICAL (write2out)
|
||||||
|
|
||||||
return
|
|
||||||
|
|
||||||
endsubroutine
|
endsubroutine
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -335,13 +339,13 @@ subroutine materialpoint_stressAndItsTangent(&
|
||||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
|
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
|
||||||
|
|
||||||
if ( materialpoint_converged(i,e) ) then
|
if ( materialpoint_converged(i,e) ) then
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 2 .and. ((e == debug_e .and. i == debug_i) .or. .not. debug_selectiveDebugger)) then
|
if (debug_verbosity > 2 .and. ((e == debug_e .and. i == debug_i) .or. .not. debug_selectiveDebugger)) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,x,f10.8,x,a,x,f10.8,x,a,/)') '<< HOMOG >> winding forward from', &
|
write(6,'(a,x,f10.8,x,a,x,f10.8,x,a,/)') '<< HOMOG >> winding forward from', &
|
||||||
materialpoint_subFrac(i,e), 'to current materialpoint_subFrac', &
|
materialpoint_subFrac(i,e), 'to current materialpoint_subFrac', &
|
||||||
materialpoint_subFrac(i,e)+materialpoint_subStep(i,e),'in materialpoint_stressAndItsTangent'
|
materialpoint_subFrac(i,e)+materialpoint_subStep(i,e),'in materialpoint_stressAndItsTangent'
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
|
|
||||||
! calculate new subStep and new subFrac
|
! calculate new subStep and new subFrac
|
||||||
materialpoint_subFrac(i,e) = materialpoint_subFrac(i,e) + materialpoint_subStep(i,e)
|
materialpoint_subFrac(i,e) = materialpoint_subFrac(i,e) + materialpoint_subStep(i,e)
|
||||||
|
|
@ -386,12 +390,12 @@ subroutine materialpoint_stressAndItsTangent(&
|
||||||
materialpoint_subStep(i,e) = subStepSizeHomog * materialpoint_subStep(i,e) ! crystallite had severe trouble, so do a significant cutback
|
materialpoint_subStep(i,e) = subStepSizeHomog * materialpoint_subStep(i,e) ! crystallite had severe trouble, so do a significant cutback
|
||||||
!$OMP FLUSH(materialpoint_subStep)
|
!$OMP FLUSH(materialpoint_subStep)
|
||||||
|
|
||||||
|
#ifndef _OPENMP
|
||||||
if (debug_verbosity > 2 .and. ((e == debug_e .and. i == debug_i) .or. .not. debug_selectiveDebugger)) then
|
if (debug_verbosity > 2 .and. ((e == debug_e .and. i == debug_i) .or. .not. debug_selectiveDebugger)) then
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write(6,'(a,x,f10.8,/)') '<< HOMOG >> cutback step in materialpoint_stressAndItsTangent with new materialpoint_subStep:',&
|
write(6,'(a,x,f10.8,/)') '<< HOMOG >> cutback step in materialpoint_stressAndItsTangent with new materialpoint_subStep:',&
|
||||||
materialpoint_subStep(i,e)
|
materialpoint_subStep(i,e)
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
endif
|
||||||
|
#endif
|
||||||
|
|
||||||
! restore...
|
! restore...
|
||||||
crystallite_Temperature(1:myNgrains,i,e) = crystallite_partionedTemperature0(1:myNgrains,i,e) ! ...temperatures
|
crystallite_Temperature(1:myNgrains,i,e) = crystallite_partionedTemperature0(1:myNgrains,i,e) ! ...temperatures
|
||||||
|
|
@ -496,7 +500,6 @@ subroutine materialpoint_stressAndItsTangent(&
|
||||||
|
|
||||||
|
|
||||||
if (.not. terminallyIll ) then
|
if (.not. terminallyIll ) then
|
||||||
|
|
||||||
call crystallite_orientations() ! calculate crystal orientations
|
call crystallite_orientations() ! calculate crystal orientations
|
||||||
!$OMP PARALLEL DO
|
!$OMP PARALLEL DO
|
||||||
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
|
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
|
||||||
|
|
@ -505,21 +508,12 @@ subroutine materialpoint_stressAndItsTangent(&
|
||||||
call homogenization_averageTemperature(i,e)
|
call homogenization_averageTemperature(i,e)
|
||||||
enddo; enddo
|
enddo; enddo
|
||||||
!$OMP END PARALLEL DO
|
!$OMP END PARALLEL DO
|
||||||
|
|
||||||
if (debug_verbosity > 2) then
|
|
||||||
!$OMP CRITICAL (write2out)
|
|
||||||
write (6,*)
|
|
||||||
write (6,'(a)') '<< HOMOG >> Material Point end'
|
|
||||||
write (6,*)
|
|
||||||
!$OMP END CRITICAL (write2out)
|
|
||||||
endif
|
|
||||||
else
|
else
|
||||||
!$OMP CRITICAL (write2out)
|
!$OMP CRITICAL (write2out)
|
||||||
write (6,*)
|
write (6,*)
|
||||||
write (6,'(a)') '<< HOMOG >> Material Point terminally ill'
|
write (6,'(a)') '<< HOMOG >> Material Point terminally ill'
|
||||||
write (6,*)
|
write (6,*)
|
||||||
!$OMP END CRITICAL (write2out)
|
!$OMP END CRITICAL (write2out)
|
||||||
|
|
||||||
endif
|
endif
|
||||||
return
|
return
|
||||||
|
|
||||||
|
|
@ -540,25 +534,31 @@ subroutine materialpoint_postResults(dt)
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
real(pReal), intent(in) :: dt
|
real(pReal), intent(in) :: dt
|
||||||
integer(pInt) g,i,e,c,d,myNgrains,myCrystallite
|
integer(pInt) g,i,e,pos,size,myNgrains,myCrystallite
|
||||||
|
|
||||||
!$OMP PARALLEL DO PRIVATE(myNgrains,myCrystallite,c,d)
|
!$OMP PARALLEL DO PRIVATE(myNgrains,myCrystallite,pos,size)
|
||||||
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
|
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
|
||||||
myNgrains = homogenization_Ngrains(mesh_element(3,e))
|
myNgrains = homogenization_Ngrains(mesh_element(3,e))
|
||||||
myCrystallite = microstructure_crystallite(mesh_element(4,e))
|
myCrystallite = microstructure_crystallite(mesh_element(4,e))
|
||||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
|
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
|
||||||
c = 0_pInt
|
pos = 0_pInt
|
||||||
materialpoint_results(c+1,i,e) = myNgrains; c = c+1_pInt ! tell number of grains at materialpoint
|
|
||||||
d = homogenization_sizePostResults(i,e)
|
materialpoint_results(pos+1,i,e) = myNgrains ! tell number of grains at materialpoint
|
||||||
materialpoint_results(c+1,i,e) = d; c = c+1_pInt ! tell size of homogenization results
|
pos = pos + 1_pInt
|
||||||
if (d > 0_pInt) then ! any homogenization results to mention?
|
|
||||||
materialpoint_results(c+1:c+d,i,e) = & ! tell homogenization results
|
size = homogenization_sizePostResults(i,e)
|
||||||
homogenization_postResults(i,e); c = c+d
|
materialpoint_results(pos+1,i,e) = size ! tell size of homogenization results
|
||||||
|
pos = pos + 1_pInt
|
||||||
|
|
||||||
|
if (size > 0_pInt) then ! any homogenization results to mention?
|
||||||
|
materialpoint_results(pos+1:pos+size,i,e) = homogenization_postResults(i,e) ! tell homogenization results
|
||||||
|
pos = pos + size
|
||||||
endif
|
endif
|
||||||
|
|
||||||
do g = 1,myNgrains ! loop over all grains
|
do g = 1,myNgrains ! loop over all grains
|
||||||
d = 1+crystallite_sizePostResults(myCrystallite) + 1+constitutive_sizePostResults(g,i,e)
|
size = (1 + crystallite_sizePostResults(myCrystallite)) + (1 + constitutive_sizePostResults(g,i,e))
|
||||||
materialpoint_results(c+1:c+d,i,e) = & ! tell crystallite results
|
materialpoint_results(pos+1:pos+size,i,e) = crystallite_postResults(dt,g,i,e) ! tell crystallite results
|
||||||
crystallite_postResults(dt,g,i,e); c = c+d
|
pos = pos + size
|
||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
|
|
|
||||||
|
|
@ -14,7 +14,7 @@
|
||||||
!
|
!
|
||||||
!********************************************************************
|
!********************************************************************
|
||||||
|
|
||||||
include "prec.f90" ! uses nothing else
|
#include "prec.f90"
|
||||||
|
|
||||||
|
|
||||||
MODULE mpie_interface
|
MODULE mpie_interface
|
||||||
|
|
@ -73,25 +73,25 @@ end function
|
||||||
|
|
||||||
END MODULE
|
END MODULE
|
||||||
|
|
||||||
include "IO.f90" ! uses prec
|
#include "IO.f90"
|
||||||
include "numerics.f90" ! uses prec, IO
|
#include "numerics.f90"
|
||||||
include "debug.f90" ! uses prec, numerics
|
#include "debug.f90"
|
||||||
include "math.f90" ! uses prec, numerics, debug
|
#include "math.f90"
|
||||||
include "FEsolving.f90" ! uses prec, IO, debug
|
#include "FEsolving.f90"
|
||||||
include "mesh.f90" ! uses prec, math, IO, FEsolving, debug
|
#include "mesh.f90"
|
||||||
include "material.f90" ! uses prec, math, IO, mesh, debug
|
#include "material.f90"
|
||||||
include "lattice.f90" ! uses prec, math, IO, material, debug
|
#include "lattice.f90"
|
||||||
include "constitutive_j2.f90" ! uses prec, math, IO, lattice, material, debug
|
#include "constitutive_j2.f90"
|
||||||
include "constitutive_phenopowerlaw.f90" ! uses prec, math, IO, lattice, material, debug
|
#include "constitutive_phenopowerlaw.f90"
|
||||||
include "constitutive_titanmod.f90" ! uses prec, math, IO, lattice, material, debug
|
#include "constitutive_titanmod.f90"
|
||||||
include "constitutive_dislotwin.f90" ! uses prec, math, IO, lattice, material, debug
|
#include "constitutive_dislotwin.f90"
|
||||||
include "constitutive_nonlocal.f90" ! uses prec, math, IO, lattice, material, debug
|
#include "constitutive_nonlocal.f90"
|
||||||
include "constitutive.f90" ! uses prec, IO, math, lattice, mesh, debug
|
#include "constitutive.f90"
|
||||||
include "crystallite.f90" ! uses prec, math, IO, numerics, Fesolving, material, mesh, constitutive, debug
|
#include "crystallite.f90"
|
||||||
include "homogenization_isostrain.f90" ! uses prec, math, IO, debug
|
#include "homogenization_isostrain.f90"
|
||||||
include "homogenization_RGC.f90" ! uses prec, math, IO, numerics, mesh, debug
|
#include "homogenization_RGC.f90"
|
||||||
include "homogenization.f90" ! uses prec, math, IO, numerics, debug
|
#include "homogenization.f90"
|
||||||
include "CPFEM.f90" ! uses prec, math, IO, numerics, debug, FEsolving, mesh, lattice, constitutive, crystallite, debug
|
#include "CPFEM.f90"
|
||||||
|
|
||||||
subroutine vumat (jblock, ndir, nshr, nstatev, nfieldv, nprops, lanneal, &
|
subroutine vumat (jblock, ndir, nshr, nstatev, nfieldv, nprops, lanneal, &
|
||||||
stepTime, totalTime, dt, cmname, coordMp, charLength, &
|
stepTime, totalTime, dt, cmname, coordMp, charLength, &
|
||||||
|
|
|
||||||
|
|
@ -14,7 +14,7 @@
|
||||||
!
|
!
|
||||||
!********************************************************************
|
!********************************************************************
|
||||||
|
|
||||||
include "prec.f90" ! uses nothing else
|
#include "prec.f90"
|
||||||
|
|
||||||
|
|
||||||
MODULE mpie_interface
|
MODULE mpie_interface
|
||||||
|
|
@ -75,25 +75,25 @@ end function
|
||||||
|
|
||||||
END MODULE
|
END MODULE
|
||||||
|
|
||||||
include "IO.f90" ! uses prec
|
#include "IO.f90"
|
||||||
include "numerics.f90" ! uses prec, IO
|
#include "numerics.f90"
|
||||||
include "debug.f90" ! uses prec, numerics
|
#include "debug.f90"
|
||||||
include "math.f90" ! uses prec, numerics, debug
|
#include "math.f90"
|
||||||
include "FEsolving.f90" ! uses prec, IO, debug
|
#include "FEsolving.f90"
|
||||||
include "mesh.f90" ! uses prec, math, IO, FEsolving, debug
|
#include "mesh.f90"
|
||||||
include "material.f90" ! uses prec, math, IO, mesh, debug
|
#include "material.f90"
|
||||||
include "lattice.f90" ! uses prec, math, IO, material, debug
|
#include "lattice.f90"
|
||||||
include "constitutive_j2.f90" ! uses prec, math, IO, lattice, material, debug
|
#include "constitutive_j2.f90"
|
||||||
include "constitutive_phenopowerlaw.f90" ! uses prec, math, IO, lattice, material, debug
|
#include "constitutive_phenopowerlaw.f90"
|
||||||
include "constitutive_titanmod.f90" ! uses prec, math, IO, lattice, material, debug
|
#include "constitutive_titanmod.f90"
|
||||||
include "constitutive_dislotwin.f90" ! uses prec, math, IO, lattice, material, debug
|
#include "constitutive_dislotwin.f90"
|
||||||
include "constitutive_nonlocal.f90" ! uses prec, math, IO, lattice, material, debug
|
#include "constitutive_nonlocal.f90"
|
||||||
include "constitutive.f90" ! uses prec, IO, math, lattice, mesh, debug
|
#include "constitutive.f90"
|
||||||
include "crystallite.f90" ! uses prec, math, IO, numerics, Fesolving, material, mesh, constitutive, debug
|
#include "crystallite.f90"
|
||||||
include "homogenization_isostrain.f90" ! uses prec, math, IO, debug
|
#include "homogenization_isostrain.f90"
|
||||||
include "homogenization_RGC.f90" ! uses prec, math, IO, numerics, mesh, debug
|
#include "homogenization_RGC.f90"
|
||||||
include "homogenization.f90" ! uses prec, math, IO, numerics, debug
|
#include "homogenization.f90"
|
||||||
include "CPFEM.f90" ! uses prec, math, IO, numerics, debug, FEsolving, mesh, lattice, constitutive, crystallite, debug
|
#include "CPFEM.f90"
|
||||||
|
|
||||||
subroutine UMAT(STRESS,STATEV,DDSDDE,SSE,SPD,SCD,&
|
subroutine UMAT(STRESS,STATEV,DDSDDE,SSE,SPD,SCD,&
|
||||||
RPL,DDSDDT,DRPLDE,DRPLDT,STRAN,DSTRAN,&
|
RPL,DDSDDT,DRPLDE,DRPLDT,STRAN,DSTRAN,&
|
||||||
|
|
|
||||||
|
|
@ -36,7 +36,7 @@
|
||||||
! - creeps: timinc
|
! - creeps: timinc
|
||||||
!********************************************************************
|
!********************************************************************
|
||||||
!
|
!
|
||||||
include "prec.f90" ! uses nothing else
|
#include "prec.f90"
|
||||||
|
|
||||||
|
|
||||||
MODULE mpie_interface
|
MODULE mpie_interface
|
||||||
|
|
@ -100,25 +100,25 @@ end function
|
||||||
|
|
||||||
END MODULE
|
END MODULE
|
||||||
|
|
||||||
include "IO.f90" ! uses prec
|
#include "IO.f90"
|
||||||
include "numerics.f90" ! uses prec, IO
|
#include "numerics.f90"
|
||||||
include "debug.f90" ! uses prec, numerics
|
#include "debug.f90"
|
||||||
include "math.f90" ! uses prec, numerics, debug
|
#include "math.f90"
|
||||||
include "FEsolving.f90" ! uses prec, IO, debug
|
#include "FEsolving.f90"
|
||||||
include "mesh.f90" ! uses prec, math, IO, FEsolving, debug
|
#include "mesh.f90"
|
||||||
include "material.f90" ! uses prec, math, IO, mesh, debug
|
#include "material.f90"
|
||||||
include "lattice.f90" ! uses prec, math, IO, material, debug
|
#include "lattice.f90"
|
||||||
include "constitutive_j2.f90" ! uses prec, math, IO, lattice, material, debug
|
#include "constitutive_j2.f90"
|
||||||
include "constitutive_phenopowerlaw.f90" ! uses prec, math, IO, lattice, material, debug
|
#include "constitutive_phenopowerlaw.f90"
|
||||||
include "constitutive_titanmod.f90" ! uses prec, math, IO, lattice, material, debug
|
#include "constitutive_titanmod.f90"
|
||||||
include "constitutive_dislotwin.f90" ! uses prec, math, IO, lattice, material, debug
|
#include "constitutive_dislotwin.f90"
|
||||||
include "constitutive_nonlocal.f90" ! uses prec, math, IO, lattice, material, debug
|
#include "constitutive_nonlocal.f90"
|
||||||
include "constitutive.f90" ! uses prec, IO, math, lattice, mesh, debug
|
#include "constitutive.f90"
|
||||||
include "crystallite.f90" ! uses prec, math, IO, numerics, Fesolving, material, mesh, constitutive, debug
|
#include "crystallite.f90"
|
||||||
include "homogenization_isostrain.f90" ! uses prec, math, IO, debug
|
#include "homogenization_isostrain.f90"
|
||||||
include "homogenization_RGC.f90" ! uses prec, math, IO, numerics, mesh, debug
|
#include "homogenization_RGC.f90"
|
||||||
include "homogenization.f90" ! uses prec, math, IO, numerics, debug
|
#include "homogenization.f90"
|
||||||
include "CPFEM.f90" ! uses prec, math, IO, numerics, debug, FEsolving, mesh, lattice, constitutive, crystallite, debug
|
#include "CPFEM.f90"
|
||||||
|
|
||||||
|
|
||||||
!********************************************************************
|
!********************************************************************
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue