Begin to update DAMASK structure
This commit is contained in:
Sharan Roongta
parent
eb98649793
commit
c19ed21468
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@ -23,6 +23,7 @@ module crystallite
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use discretization
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use lattice
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use results
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use YAML_types
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implicit none
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private
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@ -81,8 +82,9 @@ module crystallite
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integer :: &
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iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp
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nState, & !< state loop limit
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nStress, & !< stress loop limit
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integrator !< integration scheme (ToDo: better use a string)
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nStress !< stress loop limit
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character(len=pStringLen) :: &
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integrator !< integrator scheme
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real(pReal) :: &
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subStepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback
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subStepSizeCryst, & !< size of first substep when cutback
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@ -126,7 +128,9 @@ subroutine crystallite_init
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iMax, & !< maximum number of integration points
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eMax, & !< maximum number of elements
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myNcomponents !< number of components at current IP
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class(tNode) , pointer :: &
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num_crystallite
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write(6,'(/,a)') ' <<<+- crystallite init -+>>>'
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cMax = homogenization_maxNgrains
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@ -160,23 +164,20 @@ subroutine crystallite_init
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allocate(crystallite_requested(cMax,iMax,eMax), source=.false.)
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allocate(crystallite_converged(cMax,iMax,eMax), source=.true.)
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num%subStepMinCryst = config_numerics%getFloat('substepmincryst', defaultVal=1.0e-3_pReal)
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num%subStepSizeCryst = config_numerics%getFloat('substepsizecryst', defaultVal=0.25_pReal)
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num%stepIncreaseCryst = config_numerics%getFloat('stepincreasecryst', defaultVal=1.5_pReal)
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num%subStepSizeLp = config_numerics%getFloat('substepsizelp', defaultVal=0.5_pReal)
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num%subStepSizeLi = config_numerics%getFloat('substepsizeli', defaultVal=0.5_pReal)
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num%rtol_crystalliteState = config_numerics%getFloat('rtol_crystallitestate', defaultVal=1.0e-6_pReal)
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num%rtol_crystalliteStress = config_numerics%getFloat('rtol_crystallitestress',defaultVal=1.0e-6_pReal)
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num%atol_crystalliteStress = config_numerics%getFloat('atol_crystallitestress',defaultVal=1.0e-8_pReal)
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num%iJacoLpresiduum = config_numerics%getInt ('ijacolpresiduum', defaultVal=1)
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num%integrator = config_numerics%getInt ('integrator', defaultVal=1)
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num%nState = config_numerics%getInt ('nstate', defaultVal=20)
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num%nStress = config_numerics%getInt ('nstress', defaultVal=40)
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num_crystallite => numerics_root%get('crystallite',defaultVal=emptyDict)
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num%subStepMinCryst = num_crystallite%get_asFloat ('subStepMin', defaultVal=1.0e-3_pReal)
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num%subStepSizeCryst = num_crystallite%get_asFloat ('subStepSize', defaultVal=0.25_pReal)
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num%stepIncreaseCryst = num_crystallite%get_asFloat ('stepIncrease', defaultVal=1.5_pReal)
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num%subStepSizeLp = num_crystallite%get_asFloat ('subStepSizeLp', defaultVal=0.5_pReal)
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num%subStepSizeLi = num_crystallite%get_asFloat ('subStepSizeLi', defaultVal=0.5_pReal)
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num%rtol_crystalliteState = num_crystallite%get_asFloat ('rtol_State', defaultVal=1.0e-6_pReal)
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num%rtol_crystalliteStress = num_crystallite%get_asFloat ('rtol_Stress', defaultVal=1.0e-6_pReal)
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num%atol_crystalliteStress = num_crystallite%get_asFloat ('atol_Stress', defaultVal=1.0e-8_pReal)
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num%iJacoLpresiduum = num_crystallite%get_asInt ('iJacoLpresiduum', defaultVal=1)
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num%integrator = num_crystallite%get_asString('integrator', defaultVal='FPI')
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num%nState = num_crystallite%get_asInt ('nState', defaultVal=20)
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num%nStress = num_crystallite%get_asInt ('nStress', defaultVal=40)
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if(num%subStepMinCryst <= 0.0_pReal) call IO_error(301,ext_msg='subStepMinCryst')
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if(num%subStepSizeCryst <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeCryst')
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@ -191,24 +192,23 @@ subroutine crystallite_init
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if(num%iJacoLpresiduum < 1) call IO_error(301,ext_msg='iJacoLpresiduum')
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if(num%integrator < 1 .or. num%integrator > 5) &
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call IO_error(301,ext_msg='integrator')
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if(num%nState < 1) call IO_error(301,ext_msg='nState')
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if(num%nStress< 1) call IO_error(301,ext_msg='nStress')
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select case(num%integrator)
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case(1)
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select case(trim(num%integrator))
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case('FPI')
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integrateState => integrateStateFPI
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case(2)
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case('Euler')
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integrateState => integrateStateEuler
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case(3)
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case('AdaptiveEuler')
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integrateState => integrateStateAdaptiveEuler
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case(4)
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case('RK4')
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integrateState => integrateStateRK4
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case(5)
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case('RKCK45')
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integrateState => integrateStateRKCK45
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case default
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call IO_error(301,ext_msg='integrator')
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end select
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allocate(output_constituent(size(config_phase)))
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@ -245,7 +245,6 @@ subroutine crystallite_init
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enddo
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!$OMP END PARALLEL DO
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!if(any(plasticState%nonlocal) .and. .not. usePingPong) call IO_error(601)
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crystallite_partionedFp0 = crystallite_Fp0
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crystallite_partionedFi0 = crystallite_Fi0
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@ -276,6 +275,7 @@ subroutine crystallite_init
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write(6,'(a42,1x,i10)') 'max # of constituents/integration point: ', cMax
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flush(6)
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endif
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#endif
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end subroutine crystallite_init
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@ -92,9 +92,9 @@ function damage_local_updateState(subdt, ip, el)
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phi = max(residualStiffness,min(1.0_pReal,phi + subdt*phiDot))
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damage_local_updateState = [ abs(phi - damageState(homog)%state(1,offset)) &
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<= err_damage_tolAbs &
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<= 1.0e-2_pReal &
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.or. abs(phi - damageState(homog)%state(1,offset)) &
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<= err_damage_tolRel*abs(damageState(homog)%state(1,offset)), &
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<= 1.0e-6_pReal*abs(damageState(homog)%state(1,offset)), &
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.true.]
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damageState(homog)%state(1,offset) = phi
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@ -165,7 +165,7 @@ function grid_damage_spectral_solution(timeinc,timeinc_old) result(solution)
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call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
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call MPI_Allreduce(MPI_IN_PLACE,solnNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
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phi_stagInc = phi_current
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solution%stagConverged = stagNorm < max(err_damage_tolAbs, err_damage_tolRel*solnNorm)
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solution%stagConverged = stagNorm < max(1.0e-2_pReal, 1.0e-6_pReal*solnNorm)
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!--------------------------------------------------------------------------------------------------
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! updating damage state
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@ -162,7 +162,7 @@ function grid_thermal_spectral_solution(timeinc,timeinc_old) result(solution)
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call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
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call MPI_Allreduce(MPI_IN_PLACE,solnNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
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T_stagInc = T_current
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solution%stagConverged = stagNorm < max(err_thermal_tolAbs, err_thermal_tolRel*solnNorm)
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solution%stagConverged = stagNorm < max(1.0e-2_pReal, 1.0e-6_pReal*solnNorm)
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!--------------------------------------------------------------------------------------------------
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! updating thermal state
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176
src/numerics.f90
176
src/numerics.f90
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@ -6,6 +6,8 @@
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module numerics
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use prec
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use IO
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use YAML_types
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use YAML_parse
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#ifdef PETSc
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#include <petsc/finclude/petscsys.h>
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@ -16,6 +18,8 @@ module numerics
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implicit none
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private
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class(tNode), pointer, public :: &
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numerics_root
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integer, protected, public :: &
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iJacoStiffness = 1, & !< frequency of stiffness update
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randomSeed = 0, & !< fixed seeding for pseudo-random number generator, Default 0: use random seed
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@ -33,11 +37,7 @@ module numerics
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! field parameters:
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real(pReal), protected, public :: &
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err_struct_tolAbs = 1.0e-10_pReal, & !< absolute tolerance for mechanical equilibrium
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err_struct_tolRel = 1.0e-4_pReal, & !< relative tolerance for mechanical equilibrium
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err_thermal_tolAbs = 1.0e-2_pReal, & !< absolute tolerance for thermal equilibrium
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err_thermal_tolRel = 1.0e-6_pReal, & !< relative tolerance for thermal equilibrium
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err_damage_tolAbs = 1.0e-2_pReal, & !< absolute tolerance for damage evolution
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err_damage_tolRel = 1.0e-6_pReal !< relative tolerance for damage evolution
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err_struct_tolRel = 1.0e-4_pReal !< relative tolerance for mechanical equilibrium
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integer, protected, public :: &
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itmax = 250, & !< maximum number of iterations
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itmin = 1, & !< minimum number of iterations
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@ -84,11 +84,14 @@ contains
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subroutine numerics_init
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!$ integer :: gotDAMASK_NUM_THREADS = 1
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integer :: i,j, ierr
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integer, allocatable, dimension(:) :: chunkPos
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character(len=pStringLen), dimension(:), allocatable :: fileContent
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character(len=pStringLen) :: &
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tag ,&
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line
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character(len=:), allocatable :: &
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numerics_input, &
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numerics_inFlow, &
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key
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class (tNode), pointer :: &
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num_grid, &
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num_mesh, &
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num_generic
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logical :: fexist
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!$ character(len=6) DAMASK_NumThreadsString ! environment variable DAMASK_NUM_THREADS
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@ -108,111 +111,104 @@ subroutine numerics_init
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!$ endif
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!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution
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inquire(file='numerics.config', exist=fexist)
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inquire(file='numerics.yaml', exist=fexist)
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fileExists: if (fexist) then
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write(6,'(a,/)') ' using values from config file'
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flush(6)
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fileContent = IO_read_ASCII('numerics.config')
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do j=1, size(fileContent)
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numerics_input = IO_read('numerics.yaml')
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numerics_inFlow = to_flow(numerics_input)
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numerics_root => parse_flow(numerics_inFlow,defaultVal=emptyDict)
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!--------------------------------------------------------------------------------------------------
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! read variables from config file and overwrite default parameters if keyword is present
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line = fileContent(j)
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do i=1,len(line)
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if(line(i:i) == '=') line(i:i) = ' ' ! also allow keyword = value version
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enddo
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if (IO_isBlank(line)) cycle ! skip empty lines
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chunkPos = IO_stringPos(line)
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tag = IO_lc(IO_stringValue(line,chunkPos,1)) ! extract key
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select case(tag)
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! spectral parameters
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num_grid => numerics_root%get('grid',defaultVal=emptyDict)
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do i=1,num_grid%length
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key = num_grid%getKey(i)
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select case(key)
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#ifdef Grid
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case ('err_div_tolabs')
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err_div_tolAbs = num_grid%get_asFloat(key)
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case ('err_div_tolrel')
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err_div_tolRel = num_grid%get_asFloat(key)
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case ('err_stress_tolrel')
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err_stress_tolrel = num_grid%get_asFloat(key)
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case ('err_stress_tolabs')
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err_stress_tolabs = num_grid%get_asFloat(key)
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case ('err_curl_tolabs')
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err_curl_tolAbs = num_grid%get_asFloat(key)
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case ('err_curl_tolrel')
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err_curl_tolRel = num_grid%get_asFloat(key)
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case ('polaralpha')
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polarAlpha = num_grid%get_asFloat(key)
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case ('polarbeta')
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polarBeta = num_grid%get_asFloat(key)
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#endif
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case ('itmax')
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itmax = num_grid%get_asInt(key)
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case ('itmin')
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itmin = num_grid%get_asInt(key)
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case ('maxCutBack')
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maxCutBack = num_grid%get_asInt(key)
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case ('maxStaggeredIter')
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stagItMax = num_grid%get_asInt(key)
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#ifdef PETSC
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case ('petsc_options')
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petsc_options = num_grid%get_asString(key)
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#endif
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endselect
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enddo
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num_generic => numerics_root%get('generic',defaultVal=emptyDict)
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do i=1,num_generic%length
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key = num_generic%getKey(i)
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select case(key)
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case ('defgradtolerance')
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defgradTolerance = IO_floatValue(line,chunkPos,2)
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defgradTolerance = num_generic%get_asFloat(key)
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case ('ijacostiffness')
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iJacoStiffness = IO_intValue(line,chunkPos,2)
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iJacoStiffness = num_generic%get_asInt(key)
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case ('unitlength')
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numerics_unitlength = IO_floatValue(line,chunkPos,2)
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numerics_unitlength = num_generic%get_asFloat(key)
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!--------------------------------------------------------------------------------------------------
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! random seeding parameter
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case ('random_seed','fixed_seed')
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randomSeed = IO_intValue(line,chunkPos,2)
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case ('fixed_seed', 'random_seed')
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randomSeed = num_generic%get_asInt(key)
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!--------------------------------------------------------------------------------------------------
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! gradient parameter
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case ('charlength')
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charLength = IO_floatValue(line,chunkPos,2)
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case ('residualstiffness')
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residualStiffness = IO_floatValue(line,chunkPos,2)
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case ('charLength')
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charLength = num_generic%get_asFloat(key)
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case ('residualStiffness')
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residualStiffness = num_generic%get_asFloat(key)
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!--------------------------------------------------------------------------------------------------
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! field parameters
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case ('err_struct_tolabs')
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err_struct_tolAbs = IO_floatValue(line,chunkPos,2)
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err_struct_tolAbs = num_generic%get_asFloat(key)
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case ('err_struct_tolrel')
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err_struct_tolRel = IO_floatValue(line,chunkPos,2)
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case ('err_thermal_tolabs')
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err_thermal_tolabs = IO_floatValue(line,chunkPos,2)
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case ('err_thermal_tolrel')
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err_thermal_tolrel = IO_floatValue(line,chunkPos,2)
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case ('err_damage_tolabs')
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err_damage_tolabs = IO_floatValue(line,chunkPos,2)
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case ('err_damage_tolrel')
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err_damage_tolrel = IO_floatValue(line,chunkPos,2)
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case ('itmax')
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itmax = IO_intValue(line,chunkPos,2)
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case ('itmin')
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itmin = IO_intValue(line,chunkPos,2)
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case ('maxcutback')
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maxCutBack = IO_intValue(line,chunkPos,2)
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case ('maxstaggerediter')
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stagItMax = IO_intValue(line,chunkPos,2)
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err_struct_tolRel = num_generic%get_asFloat(key)
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endselect
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enddo
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#ifdef PETSC
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case ('petsc_options')
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petsc_options = trim(line(chunkPos(4):))
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#endif
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!--------------------------------------------------------------------------------------------------
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! spectral parameters
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#ifdef Grid
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case ('err_div_tolabs')
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err_div_tolAbs = IO_floatValue(line,chunkPos,2)
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case ('err_div_tolrel')
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err_div_tolRel = IO_floatValue(line,chunkPos,2)
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case ('err_stress_tolrel')
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err_stress_tolrel = IO_floatValue(line,chunkPos,2)
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case ('err_stress_tolabs')
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err_stress_tolabs = IO_floatValue(line,chunkPos,2)
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case ('err_curl_tolabs')
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err_curl_tolAbs = IO_floatValue(line,chunkPos,2)
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case ('err_curl_tolrel')
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err_curl_tolRel = IO_floatValue(line,chunkPos,2)
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case ('polaralpha')
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polarAlpha = IO_floatValue(line,chunkPos,2)
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case ('polarbeta')
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polarBeta = IO_floatValue(line,chunkPos,2)
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#endif
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!--------------------------------------------------------------------------------------------------
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! Mesh parameters
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#ifdef Mesh
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num_grid => numerics_root%get('mesh',defaultVal=emptyDict)
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do i=1,num_grid%length
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key = num_grid%getKey(i)
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select case(key)
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case ('integrationorder')
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integrationorder = IO_intValue(line,chunkPos,2)
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integrationorder = num_generic%get_asInt(key)
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case ('structorder')
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structorder = IO_intValue(line,chunkPos,2)
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structorder = num_generic%get_asInt(key)
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case ('bbarstabilisation')
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BBarStabilisation = IO_intValue(line,chunkPos,2) > 0
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#endif
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BBarStabilisation = num_generic%get_asInt(key) > 0
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end select
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enddo
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#endif
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else fileExists
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write(6,'(a,/)') ' using standard values'
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flush(6)
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endif fileExists
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!--------------------------------------------------------------------------------------------------
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! writing parameters to output
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write(6,'(a24,1x,es8.1)') ' defgradTolerance: ',defgradTolerance
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@ -242,10 +238,6 @@ subroutine numerics_init
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write(6,'(a24,1x,i8)') ' maxStaggeredIter: ',stagItMax
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write(6,'(a24,1x,es8.1)') ' err_struct_tolAbs: ',err_struct_tolAbs
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write(6,'(a24,1x,es8.1)') ' err_struct_tolRel: ',err_struct_tolRel
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write(6,'(a24,1x,es8.1)') ' err_thermal_tolabs: ',err_thermal_tolabs
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write(6,'(a24,1x,es8.1)') ' err_thermal_tolrel: ',err_thermal_tolrel
|
||||
write(6,'(a24,1x,es8.1)') ' err_damage_tolabs: ',err_damage_tolabs
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||||
write(6,'(a24,1x,es8.1)') ' err_damage_tolrel: ',err_damage_tolrel
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||||
|
||||
!--------------------------------------------------------------------------------------------------
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||||
! spectral parameters
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||||
|
|
@ -284,10 +276,6 @@ subroutine numerics_init
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|||
if (stagItMax < 0) call IO_error(301,ext_msg='maxStaggeredIter')
|
||||
if (err_struct_tolRel <= 0.0_pReal) call IO_error(301,ext_msg='err_struct_tolRel')
|
||||
if (err_struct_tolAbs <= 0.0_pReal) call IO_error(301,ext_msg='err_struct_tolAbs')
|
||||
if (err_thermal_tolabs <= 0.0_pReal) call IO_error(301,ext_msg='err_thermal_tolabs')
|
||||
if (err_thermal_tolrel <= 0.0_pReal) call IO_error(301,ext_msg='err_thermal_tolrel')
|
||||
if (err_damage_tolabs <= 0.0_pReal) call IO_error(301,ext_msg='err_damage_tolabs')
|
||||
if (err_damage_tolrel <= 0.0_pReal) call IO_error(301,ext_msg='err_damage_tolrel')
|
||||
#ifdef Grid
|
||||
if (err_stress_tolrel <= 0.0_pReal) call IO_error(301,ext_msg='err_stress_tolRel')
|
||||
if (err_stress_tolabs <= 0.0_pReal) call IO_error(301,ext_msg='err_stress_tolAbs')
|
||||
|
|
|
|||
|
|
@ -101,9 +101,9 @@ function thermal_adiabatic_updateState(subdt, ip, el)
|
|||
T = T + subdt*Tdot/(thermal_adiabatic_getSpecificHeat(ip,el)*thermal_adiabatic_getMassDensity(ip,el))
|
||||
|
||||
thermal_adiabatic_updateState = [ abs(T - thermalState(homog)%state(1,offset)) &
|
||||
<= err_thermal_tolAbs &
|
||||
<= 1.0e-2_pReal &
|
||||
.or. abs(T - thermalState(homog)%state(1,offset)) &
|
||||
<= err_thermal_tolRel*abs(thermalState(homog)%state(1,offset)), &
|
||||
<= 1.0e-6_pReal*abs(thermalState(homog)%state(1,offset)), &
|
||||
.true.]
|
||||
|
||||
temperature (homog)%p(thermalMapping(homog)%p(ip,el)) = T
|
||||
|
|
|
|||
Loading…
Reference in New Issue