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adjusting indentation

This commit is contained in:
Martin Diehl 2019-06-15 20:32:53 +02:00
parent 6370dd1a43
commit 2c4f1eb173
6 changed files with 750 additions and 750 deletions
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923
src/IO.f90
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File diff suppressed because it is too large Load Diff

18
src/kinematics_cleavage_opening.f90
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@ -102,15 +102,15 @@ subroutine kinematics_cleavage_opening_init
kinematics_cleavage_opening_Ncleavage(1:lattice_maxNcleavageFamily,instance) = & kinematics_cleavage_opening_Ncleavage(1:lattice_maxNcleavageFamily,instance) = &
min(lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,p),& ! limit active cleavage systems per family to min of available and requested min(lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,p),& ! limit active cleavage systems per family to min of available and requested
kinematics_cleavage_opening_Ncleavage(1:lattice_maxNcleavageFamily,instance)) kinematics_cleavage_opening_Ncleavage(1:lattice_maxNcleavageFamily,instance))
kinematics_cleavage_opening_totalNcleavage(instance) = sum(kinematics_cleavage_opening_Ncleavage(:,instance)) ! how many cleavage systems altogether kinematics_cleavage_opening_totalNcleavage(instance) = sum(kinematics_cleavage_opening_Ncleavage(:,instance)) ! how many cleavage systems altogether
if (kinematics_cleavage_opening_sdot_0(instance) <= 0.0_pReal) & if (kinematics_cleavage_opening_sdot_0(instance) <= 0.0_pReal) &
call IO_error(211,el=instance,ext_msg='sdot_0 ('//KINEMATICS_cleavage_opening_LABEL//')') call IO_error(211,el=instance,ext_msg='sdot_0 ('//KINEMATICS_cleavage_opening_LABEL//')')
if (any(kinematics_cleavage_opening_critDisp(1:size(tempInt),instance) < 0.0_pReal)) & if (any(kinematics_cleavage_opening_critDisp(1:size(tempInt),instance) < 0.0_pReal)) &
call IO_error(211,el=instance,ext_msg='critical_displacement ('//KINEMATICS_cleavage_opening_LABEL//')') call IO_error(211,el=instance,ext_msg='critical_displacement ('//KINEMATICS_cleavage_opening_LABEL//')')
if (any(kinematics_cleavage_opening_critLoad(1:size(tempInt),instance) < 0.0_pReal)) & if (any(kinematics_cleavage_opening_critLoad(1:size(tempInt),instance) < 0.0_pReal)) &
call IO_error(211,el=instance,ext_msg='critical_load ('//KINEMATICS_cleavage_opening_LABEL//')') call IO_error(211,el=instance,ext_msg='critical_load ('//KINEMATICS_cleavage_opening_LABEL//')')
if (kinematics_cleavage_opening_N(instance) <= 0.0_pReal) & if (kinematics_cleavage_opening_N(instance) <= 0.0_pReal) &
call IO_error(211,el=instance,ext_msg='rate_sensitivity ('//KINEMATICS_cleavage_opening_LABEL//')') call IO_error(211,el=instance,ext_msg='rate_sensitivity ('//KINEMATICS_cleavage_opening_LABEL//')')
enddo enddo
end subroutine kinematics_cleavage_opening_init end subroutine kinematics_cleavage_opening_init

266
src/kinematics_slipplane_opening.f90
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@ -5,40 +5,40 @@
!> @details to be done !> @details to be done
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module kinematics_slipplane_opening module kinematics_slipplane_opening
use prec use prec
use config use config
use IO use IO
use debug use debug
use math use math
use lattice use lattice
use material use material
implicit none implicit none
private private
integer, dimension(:), allocatable :: kinematics_slipplane_opening_instance integer, dimension(:), allocatable :: kinematics_slipplane_opening_instance
type :: tParameters !< container type for internal constitutive parameters type :: tParameters !< container type for internal constitutive parameters
integer :: & integer :: &
totalNslip totalNslip
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
Nslip !< active number of slip systems per family Nslip !< active number of slip systems per family
real(pReal) :: & real(pReal) :: &
sdot0, & sdot0, &
n n
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
critLoad critLoad
real(pReal), dimension(:,:), allocatable :: & real(pReal), dimension(:,:), allocatable :: &
slip_direction, & slip_direction, &
slip_normal, & slip_normal, &
slip_transverse slip_transverse
end type tParameters end type tParameters
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstance) type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstance)
public :: & public :: &
kinematics_slipplane_opening_init, & kinematics_slipplane_opening_init, &
kinematics_slipplane_opening_LiAndItsTangent kinematics_slipplane_opening_LiAndItsTangent
contains contains
@ -49,53 +49,53 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine kinematics_slipplane_opening_init subroutine kinematics_slipplane_opening_init
integer :: maxNinstance,p,instance integer :: maxNinstance,p,instance
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_slipplane_opening_LABEL//' init -+>>>' write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_slipplane_opening_LABEL//' init -+>>>'
maxNinstance = count(phase_kinematics == KINEMATICS_slipplane_opening_ID) maxNinstance = count(phase_kinematics == KINEMATICS_slipplane_opening_ID)
if (maxNinstance == 0) return if (maxNinstance == 0) return
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) & if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance
allocate(kinematics_slipplane_opening_instance(size(config_phase)), source=0) allocate(kinematics_slipplane_opening_instance(size(config_phase)), source=0)
do p = 1, size(config_phase) do p = 1, size(config_phase)
kinematics_slipplane_opening_instance(p) = count(phase_kinematics(:,1:p) == kinematics_slipplane_opening_ID) ! ToDo: count correct? kinematics_slipplane_opening_instance(p) = count(phase_kinematics(:,1:p) == kinematics_slipplane_opening_ID) ! ToDo: count correct?
enddo enddo
allocate(param(maxNinstance)) allocate(param(maxNinstance))
do p = 1, size(config_phase) do p = 1, size(config_phase)
if (all(phase_kinematics(:,p) /= KINEMATICS_slipplane_opening_ID)) cycle if (all(phase_kinematics(:,p) /= KINEMATICS_slipplane_opening_ID)) cycle
associate(prm => param(kinematics_slipplane_opening_instance(p)), & associate(prm => param(kinematics_slipplane_opening_instance(p)), &
config => config_phase(p)) config => config_phase(p))
instance = kinematics_slipplane_opening_instance(p) instance = kinematics_slipplane_opening_instance(p)
prm%sdot0 = config_phase(p)%getFloat('anisoductile_sdot0') prm%sdot0 = config_phase(p)%getFloat('anisoductile_sdot0')
prm%n = config_phase(p)%getFloat('anisoductile_ratesensitivity') prm%n = config_phase(p)%getFloat('anisoductile_ratesensitivity')
prm%Nslip = config%getInts('nslip') prm%Nslip = config%getInts('nslip')
prm%critLoad = config_phase(p)%getFloats('anisoductile_criticalload',requiredSize=size(prm%Nslip )) prm%critLoad = config_phase(p)%getFloats('anisoductile_criticalload',requiredSize=size(prm%Nslip ))
prm%critLoad = math_expand(prm%critLoad, prm%Nslip) prm%critLoad = math_expand(prm%critLoad, prm%Nslip)
prm%slip_direction = lattice_slip_direction (prm%Nslip,config%getString('lattice_structure'),& prm%slip_direction = lattice_slip_direction (prm%Nslip,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%slip_normal = lattice_slip_normal (prm%Nslip,config%getString('lattice_structure'),& prm%slip_normal = lattice_slip_normal (prm%Nslip,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%slip_transverse = lattice_slip_transverse(prm%Nslip,config%getString('lattice_structure'),& prm%slip_transverse = lattice_slip_transverse(prm%Nslip,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
! if (kinematics_slipplane_opening_sdot_0(instance) <= 0.0_pReal) & ! if (kinematics_slipplane_opening_sdot_0(instance) <= 0.0_pReal) &
! call IO_error(211,el=instance,ext_msg='sdot_0 ('//KINEMATICS_slipplane_opening_LABEL//')') ! call IO_error(211,el=instance,ext_msg='sdot_0 ('//KINEMATICS_slipplane_opening_LABEL//')')
! if (any(kinematics_slipplane_opening_critPlasticStrain(:,instance) < 0.0_pReal)) & ! if (any(kinematics_slipplane_opening_critPlasticStrain(:,instance) < 0.0_pReal)) &
! call IO_error(211,el=instance,ext_msg='criticaPlasticStrain ('//KINEMATICS_slipplane_opening_LABEL//')') ! call IO_error(211,el=instance,ext_msg='criticaPlasticStrain ('//KINEMATICS_slipplane_opening_LABEL//')')
! if (kinematics_slipplane_opening_N(instance) <= 0.0_pReal) & ! if (kinematics_slipplane_opening_N(instance) <= 0.0_pReal) &
! call IO_error(211,el=instance,ext_msg='rate_sensitivity ('//KINEMATICS_slipplane_opening_LABEL//')') ! call IO_error(211,el=instance,ext_msg='rate_sensitivity ('//KINEMATICS_slipplane_opening_LABEL//')')
end associate end associate
enddo enddo
end subroutine kinematics_slipplane_opening_init end subroutine kinematics_slipplane_opening_init
@ -104,84 +104,84 @@ end subroutine kinematics_slipplane_opening_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc, ip, el) subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc, ip, el)
integer, intent(in) :: & integer, intent(in) :: &
ipc, & !< grain number ipc, & !< grain number
ip, & !< integration point number ip, & !< integration point number
el !< element number el !< element number
real(pReal), intent(in), dimension(3,3) :: & real(pReal), intent(in), dimension(3,3) :: &
S S
real(pReal), intent(out), dimension(3,3) :: & real(pReal), intent(out), dimension(3,3) :: &
Ld !< damage velocity gradient Ld !< damage velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: & real(pReal), intent(out), dimension(3,3,3,3) :: &
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor) dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
projection_d, projection_t, projection_n !< projection modes 3x3 tensor projection_d, projection_t, projection_n !< projection modes 3x3 tensor
integer :: & integer :: &
instance, phase, & instance, phase, &
homog, damageOffset, & homog, damageOffset, &
i, k, l, m, n i, k, l, m, n
real(pReal) :: & real(pReal) :: &
traction_d, traction_t, traction_n, traction_crit, & traction_d, traction_t, traction_n, traction_crit, &
udotd, dudotd_dt, udott, dudott_dt, udotn, dudotn_dt udotd, dudotd_dt, udott, dudott_dt, udotn, dudotn_dt
phase = material_phaseAt(ipc,el) phase = material_phaseAt(ipc,el)
instance = kinematics_slipplane_opening_instance(phase) instance = kinematics_slipplane_opening_instance(phase)
homog = material_homogenizationAt(el) homog = material_homogenizationAt(el)
damageOffset = damageMapping(homog)%p(ip,el) damageOffset = damageMapping(homog)%p(ip,el)
associate(prm => param(instance)) associate(prm => param(instance))
Ld = 0.0_pReal Ld = 0.0_pReal
dLd_dTstar = 0.0_pReal dLd_dTstar = 0.0_pReal
do i = 1, prm%totalNslip do i = 1, prm%totalNslip
projection_d = math_outer(prm%slip_direction(1:3,i),prm%slip_normal(1:3,i)) projection_d = math_outer(prm%slip_direction(1:3,i),prm%slip_normal(1:3,i))
projection_t = math_outer(prm%slip_transverse(1:3,i),prm%slip_normal(1:3,i)) projection_t = math_outer(prm%slip_transverse(1:3,i),prm%slip_normal(1:3,i))
projection_n = math_outer(prm%slip_normal(1:3,i),prm%slip_normal(1:3,i)) projection_n = math_outer(prm%slip_normal(1:3,i),prm%slip_normal(1:3,i))
traction_d = math_mul33xx33(S,projection_d) traction_d = math_mul33xx33(S,projection_d)
traction_t = math_mul33xx33(S,projection_t) traction_t = math_mul33xx33(S,projection_t)
traction_n = math_mul33xx33(S,projection_n) traction_n = math_mul33xx33(S,projection_n)
traction_crit = prm%critLoad(i)* damage(homog)%p(damageOffset) ! degrading critical load carrying capacity by damage traction_crit = prm%critLoad(i)* damage(homog)%p(damageOffset) ! degrading critical load carrying capacity by damage
udotd = sign(1.0_pReal,traction_d)* & udotd = sign(1.0_pReal,traction_d)* &
prm%sdot0* & prm%sdot0* &
(abs(traction_d)/traction_crit - & (abs(traction_d)/traction_crit - &
abs(traction_d)/prm%critLoad(i))**prm%n abs(traction_d)/prm%critLoad(i))**prm%n
if (abs(udotd) > tol_math_check) then if (abs(udotd) > tol_math_check) then
Ld = Ld + udotd*projection_d Ld = Ld + udotd*projection_d
dudotd_dt = udotd*prm%n/traction_d dudotd_dt = udotd*prm%n/traction_d
forall (k=1:3,l=1:3,m=1:3,n=1:3) & forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) + & dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) + &
dudotd_dt*projection_d(k,l)*projection_d(m,n) dudotd_dt*projection_d(k,l)*projection_d(m,n)
endif endif
udott = sign(1.0_pReal,traction_t)* & udott = sign(1.0_pReal,traction_t)* &
prm%sdot0* & prm%sdot0* &
(abs(traction_t)/traction_crit - & (abs(traction_t)/traction_crit - &
abs(traction_t)/prm%critLoad(i))**prm%n abs(traction_t)/prm%critLoad(i))**prm%n
if (abs(udott) > tol_math_check) then if (abs(udott) > tol_math_check) then
Ld = Ld + udott*projection_t Ld = Ld + udott*projection_t
dudott_dt = udott*prm%n/traction_t dudott_dt = udott*prm%n/traction_t
forall (k=1:3,l=1:3,m=1:3,n=1:3) & forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) + & dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) + &
dudott_dt*projection_t(k,l)*projection_t(m,n) dudott_dt*projection_t(k,l)*projection_t(m,n)
endif endif
udotn = & udotn = &
prm%sdot0* & prm%sdot0* &
(max(0.0_pReal,traction_n)/traction_crit - & (max(0.0_pReal,traction_n)/traction_crit - &
max(0.0_pReal,traction_n)/prm%critLoad(i))**prm%n max(0.0_pReal,traction_n)/prm%critLoad(i))**prm%n
if (abs(udotn) > tol_math_check) then if (abs(udotn) > tol_math_check) then
Ld = Ld + udotn*projection_n Ld = Ld + udotn*projection_n
dudotn_dt = udotn*prm%n/traction_n dudotn_dt = udotn*prm%n/traction_n
forall (k=1:3,l=1:3,m=1:3,n=1:3) & forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) + & dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) + &
dudotn_dt*projection_n(k,l)*projection_n(m,n) dudotn_dt*projection_n(k,l)*projection_n(m,n)
endif endif
enddo enddo
end associate end associate
end subroutine kinematics_slipplane_opening_LiAndItsTangent end subroutine kinematics_slipplane_opening_LiAndItsTangent

22
src/kinematics_thermal_expansion.f90
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@ -84,11 +84,11 @@ pure function kinematics_thermal_expansion_initialStrain(homog,phase,offset)
kinematics_thermal_expansion_initialStrain = & kinematics_thermal_expansion_initialStrain = &
(temperature(homog)%p(offset) - lattice_referenceTemperature(phase))**1 / 1. * & (temperature(homog)%p(offset) - lattice_referenceTemperature(phase))**1 / 1. * &
lattice_thermalExpansion33(1:3,1:3,1,phase) + & ! constant coefficient lattice_thermalExpansion33(1:3,1:3,1,phase) + & ! constant coefficient
(temperature(homog)%p(offset) - lattice_referenceTemperature(phase))**2 / 2. * & (temperature(homog)%p(offset) - lattice_referenceTemperature(phase))**2 / 2. * &
lattice_thermalExpansion33(1:3,1:3,2,phase) + & ! linear coefficient lattice_thermalExpansion33(1:3,1:3,2,phase) + & ! linear coefficient
(temperature(homog)%p(offset) - lattice_referenceTemperature(phase))**3 / 3. * & (temperature(homog)%p(offset) - lattice_referenceTemperature(phase))**3 / 3. * &
lattice_thermalExpansion33(1:3,1:3,3,phase) ! quadratic coefficient lattice_thermalExpansion33(1:3,1:3,3,phase) ! quadratic coefficient
end function kinematics_thermal_expansion_initialStrain end function kinematics_thermal_expansion_initialStrain
@ -99,13 +99,13 @@ end function kinematics_thermal_expansion_initialStrain
subroutine kinematics_thermal_expansion_LiAndItsTangent(Li, dLi_dTstar, ipc, ip, el) subroutine kinematics_thermal_expansion_LiAndItsTangent(Li, dLi_dTstar, ipc, ip, el)
integer, intent(in) :: & integer, intent(in) :: &
ipc, & !< grain number ipc, & !< grain number
ip, & !< integration point number ip, & !< integration point number
el !< element number el !< element number
real(pReal), intent(out), dimension(3,3) :: & real(pReal), intent(out), dimension(3,3) :: &
Li !< thermal velocity gradient Li !< thermal velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: & real(pReal), intent(out), dimension(3,3,3,3) :: &
dLi_dTstar !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero) dLi_dTstar !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
integer :: & integer :: &
phase, & phase, &
homog, offset homog, offset
@ -120,9 +120,9 @@ subroutine kinematics_thermal_expansion_LiAndItsTangent(Li, dLi_dTstar, ipc, ip,
TRef = lattice_referenceTemperature(phase) TRef = lattice_referenceTemperature(phase)
Li = TDot * ( & Li = TDot * ( &
lattice_thermalExpansion33(1:3,1:3,1,phase)*(T - TRef)**0 & ! constant coefficient lattice_thermalExpansion33(1:3,1:3,1,phase)*(T - TRef)**0 & ! constant coefficient
+ lattice_thermalExpansion33(1:3,1:3,2,phase)*(T - TRef)**1 & ! linear coefficient + lattice_thermalExpansion33(1:3,1:3,2,phase)*(T - TRef)**1 & ! linear coefficient
+ lattice_thermalExpansion33(1:3,1:3,3,phase)*(T - TRef)**2 & ! quadratic coefficient + lattice_thermalExpansion33(1:3,1:3,3,phase)*(T - TRef)**2 & ! quadratic coefficient
) / & ) / &
(1.0_pReal & (1.0_pReal &
+ lattice_thermalExpansion33(1:3,1:3,1,phase)*(T - TRef)**1 / 1. & + lattice_thermalExpansion33(1:3,1:3,1,phase)*(T - TRef)**1 / 1. &

110
src/material.f90
View File

@ -774,41 +774,41 @@ subroutine material_allocatePlasticState(phase,NofMyPhase,&
sizeState,sizeDotState,sizeDeltaState,& sizeState,sizeDotState,sizeDeltaState,&
Nslip,Ntwin,Ntrans) Nslip,Ntwin,Ntrans)
integer, intent(in) :: & integer, intent(in) :: &
phase, & phase, &
NofMyPhase, & NofMyPhase, &
sizeState, & sizeState, &
sizeDotState, & sizeDotState, &
sizeDeltaState, & sizeDeltaState, &
Nslip, & Nslip, &
Ntwin, & Ntwin, &
Ntrans Ntrans
plasticState(phase)%sizeState = sizeState plasticState(phase)%sizeState = sizeState
plasticState(phase)%sizeDotState = sizeDotState plasticState(phase)%sizeDotState = sizeDotState
plasticState(phase)%sizeDeltaState = sizeDeltaState plasticState(phase)%sizeDeltaState = sizeDeltaState
plasticState(phase)%offsetDeltaState = sizeState-sizeDeltaState ! deltaState occupies latter part of state by definition plasticState(phase)%offsetDeltaState = sizeState-sizeDeltaState ! deltaState occupies latter part of state by definition
plasticState(phase)%Nslip = Nslip plasticState(phase)%Nslip = Nslip
plasticState(phase)%Ntwin = Ntwin plasticState(phase)%Ntwin = Ntwin
plasticState(phase)%Ntrans= Ntrans plasticState(phase)%Ntrans= Ntrans
allocate(plasticState(phase)%aTolState (sizeState), source=0.0_pReal) allocate(plasticState(phase)%aTolState (sizeState), source=0.0_pReal)
allocate(plasticState(phase)%state0 (sizeState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%state0 (sizeState,NofMyPhase), source=0.0_pReal)
allocate(plasticState(phase)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal)
allocate(plasticState(phase)%subState0 (sizeState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%subState0 (sizeState,NofMyPhase), source=0.0_pReal)
allocate(plasticState(phase)%state (sizeState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%state (sizeState,NofMyPhase), source=0.0_pReal)
allocate(plasticState(phase)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
if (numerics_integrator == 1) then if (numerics_integrator == 1) then
allocate(plasticState(phase)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal)
allocate(plasticState(phase)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal)
endif endif
if (numerics_integrator == 4) & if (numerics_integrator == 4) &
allocate(plasticState(phase)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
if (numerics_integrator == 5) & if (numerics_integrator == 5) &
allocate(plasticState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase), source=0.0_pReal)
allocate(plasticState(phase)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal)
end subroutine material_allocatePlasticState end subroutine material_allocatePlasticState
@ -819,34 +819,34 @@ end subroutine material_allocatePlasticState
subroutine material_allocateSourceState(phase,of,NofMyPhase,& subroutine material_allocateSourceState(phase,of,NofMyPhase,&
sizeState,sizeDotState,sizeDeltaState) sizeState,sizeDotState,sizeDeltaState)
integer, intent(in) :: & integer, intent(in) :: &
phase, & phase, &
of, & of, &
NofMyPhase, & NofMyPhase, &
sizeState, sizeDotState,sizeDeltaState sizeState, sizeDotState,sizeDeltaState
sourceState(phase)%p(of)%sizeState = sizeState sourceState(phase)%p(of)%sizeState = sizeState
sourceState(phase)%p(of)%sizeDotState = sizeDotState sourceState(phase)%p(of)%sizeDotState = sizeDotState
sourceState(phase)%p(of)%sizeDeltaState = sizeDeltaState sourceState(phase)%p(of)%sizeDeltaState = sizeDeltaState
sourceState(phase)%p(of)%offsetDeltaState = sizeState-sizeDeltaState ! deltaState occupies latter part of state by definition sourceState(phase)%p(of)%offsetDeltaState = sizeState-sizeDeltaState ! deltaState occupies latter part of state by definition
allocate(sourceState(phase)%p(of)%aTolState (sizeState), source=0.0_pReal) allocate(sourceState(phase)%p(of)%aTolState (sizeState), source=0.0_pReal)
allocate(sourceState(phase)%p(of)%state0 (sizeState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(of)%state0 (sizeState,NofMyPhase), source=0.0_pReal)
allocate(sourceState(phase)%p(of)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(of)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal)
allocate(sourceState(phase)%p(of)%subState0 (sizeState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(of)%subState0 (sizeState,NofMyPhase), source=0.0_pReal)
allocate(sourceState(phase)%p(of)%state (sizeState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(of)%state (sizeState,NofMyPhase), source=0.0_pReal)
allocate(sourceState(phase)%p(of)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(of)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
if (numerics_integrator == 1) then if (numerics_integrator == 1) then
allocate(sourceState(phase)%p(of)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(of)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal)
allocate(sourceState(phase)%p(of)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(of)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal)
endif endif
if (numerics_integrator == 4) & if (numerics_integrator == 4) &
allocate(sourceState(phase)%p(of)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(of)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
if (numerics_integrator == 5) & if (numerics_integrator == 5) &
allocate(sourceState(phase)%p(of)%RKCK45dotState (6,sizeDotState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(of)%RKCK45dotState (6,sizeDotState,NofMyPhase), source=0.0_pReal)
allocate(sourceState(phase)%p(of)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal) allocate(sourceState(phase)%p(of)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal)
end subroutine material_allocateSourceState end subroutine material_allocateSourceState

55
src/quit.f90
View File

@ -7,43 +7,42 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine quit(stop_id) subroutine quit(stop_id)
#include <petsc/finclude/petscsys.h> #include <petsc/finclude/petscsys.h>
use PetscSys
#ifdef _OPENMP #ifdef _OPENMP
use MPI, only: & use MPI
MPI_finalize
#endif #endif
use PetscSys use hdf5
use hdf5
implicit none implicit none
integer, intent(in) :: stop_id integer, intent(in) :: stop_id
integer, dimension(8) :: dateAndTime ! type default integer integer, dimension(8) :: dateAndTime
integer :: error integer :: error
PetscErrorCode :: ierr = 0 PetscErrorCode :: ierr = 0
call h5open_f(error) call h5open_f(error)
if (error /= 0) write(6,'(a,i5)') ' Error in h5open_f ',error ! prevents error if not opened yet if (error /= 0) write(6,'(a,i5)') ' Error in h5open_f ',error ! prevents error if not opened yet
call h5close_f(error) call h5close_f(error)
if (error /= 0) write(6,'(a,i5)') ' Error in h5close_f ',error if (error /= 0) write(6,'(a,i5)') ' Error in h5close_f ',error
call PETScFinalize(ierr) call PETScFinalize(ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
#ifdef _OPENMP #ifdef _OPENMP
call MPI_finalize(error) call MPI_finalize(error)
if (error /= 0) write(6,'(a,i5)') ' Error in MPI_finalize',error if (error /= 0) write(6,'(a,i5)') ' Error in MPI_finalize',error
#endif #endif
call date_and_time(values = dateAndTime) call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' DAMASK terminated on:' write(6,'(/,a)') ' DAMASK terminated on:'
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',& write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',&
dateAndTime(2),'/',& dateAndTime(2),'/',&
dateAndTime(1) dateAndTime(1)
write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':',& write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':',&
dateAndTime(6),':',& dateAndTime(6),':',&
dateAndTime(7) dateAndTime(7)
if (stop_id == 0 .and. ierr == 0 .and. error == 0) stop 0 ! normal termination if (stop_id == 0 .and. ierr == 0 .and. error == 0) stop 0 ! normal termination
if (stop_id == 2 .and. ierr == 0 .and. error == 0) stop 2 ! not all incs converged if (stop_id == 2 .and. ierr == 0 .and. error == 0) stop 2 ! not all incs converged
stop 1 ! error (message from IO_error) stop 1 ! error (message from IO_error)
end subroutine quit end subroutine quit