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DAMASK_EICMD
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Merge branch 'MiscImprovements' of magit1.mpie.de:/damask/DAMASK into MiscImprovements

This commit is contained in:
Martin Diehl 2020-01-24 19:58:57 +01:00
parent 7273f1461c b807406a70
commit 5fae924e88
10 changed files with 67 additions and 69 deletions
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6
src/DAMASK_marc.f90
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@ -95,13 +95,13 @@ end subroutine DAMASK_interface_init
!--------------------------------------------------------------------------------------------------
!> @brief solver job name (no extension) as combination of geometry and load case name
!--------------------------------------------------------------------------------------------------
function getSolverJobName()
function getSolverJobName
character(1024) :: getSolverJobName, inputName
character(len=:), allocatable :: getSolverJobName
character(1024) :: inputName
character(len=*), parameter :: pathSep = achar(47)//achar(92) ! forward and backward slash
integer :: extPos
getSolverJobName=''
inputName=''
inquire(5, name=inputName) ! determine inputfile
extPos = len_trim(inputName)-4

28
src/FEsolving.f90
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@ -43,12 +43,11 @@ subroutine FE_init
character(len=pStringLen) :: line
integer :: myStat,fileUnit
integer, allocatable, dimension(:) :: chunkPos
open(newunit=fileUnit, file=trim(getSolverJobName()//INPUTFILEEXTENSION), &
open(newunit=fileUnit, file=getSolverJobName()//INPUTFILEEXTENSION, &
status='old', position='rewind', action='read',iostat=myStat)
do
read (fileUnit,'(A)',END=100) line
chunkPos = IO_stringPos(line)
if(IO_lc(IO_stringValue(line,chunkPos,1)) == 'solver') then
if(index(trim(lc(line)),'solver') == 1) then
read (fileUnit,'(A)',END=100) line ! next line
chunkPos = IO_stringPos(line)
symmetricSolver = (IO_intValue(line,chunkPos,2) /= 1)
@ -56,6 +55,29 @@ subroutine FE_init
enddo
100 close(fileUnit)
end block
contains
!--------------------------------------------------------------------------------------------------
!> @brief changes characters in string to lower case
!> @details copied from IO_lc
!--------------------------------------------------------------------------------------------------
function lc(string)
character(len=*), intent(in) :: string !< string to convert
character(len=len(string)) :: lc
character(26), parameter :: LOWER = 'abcdefghijklmnopqrstuvwxyz'
character(26), parameter :: UPPER = 'ABCDEFGHIJKLMNOPQRSTUVWXYZ'
integer :: i,n
do i=1,len(string)
lc(i:i) = string(i:i)
n = index(UPPER,lc(i:i))
if (n/=0) lc(i:i) = LOWER(n:n)
enddo
end function lc
#endif
end subroutine FE_init

4
src/IO.f90
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@ -452,10 +452,10 @@ pure function IO_lc(string)
character(26), parameter :: LOWER = 'abcdefghijklmnopqrstuvwxyz'
character(26), parameter :: UPPER = 'ABCDEFGHIJKLMNOPQRSTUVWXYZ'
integer :: i,n
integer :: i,n
IO_lc = string
do i=1,len(string)
IO_lc(i:i) = string(i:i)
n = index(UPPER,IO_lc(i:i))
if (n/=0) IO_lc(i:i) = LOWER(n:n)
enddo

4
src/damage_local.f90
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@ -74,7 +74,7 @@ subroutine damage_local_init
allocate(damageState(h)%state (1,NofMyHomog), source=damage_initialPhi(h))
nullify(damageMapping(h)%p)
damageMapping(h)%p => mappingHomogenization(1,:,:)
damageMapping(h)%p => material_homogenizationMemberAt
deallocate(damage(h)%p)
damage(h)%p => damageState(h)%state(1,:)
@ -103,7 +103,7 @@ function damage_local_updateState(subdt, ip, el)
phi, phiDot, dPhiDot_dPhi
homog = material_homogenizationAt(el)
offset = mappingHomogenization(1,ip,el)
offset = material_homogenizationMemberAt(ip,el)
phi = damageState(homog)%subState0(1,offset)
call damage_local_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip, el)
phi = max(residualStiffness,min(1.0_pReal,phi + subdt*phiDot))

2
src/damage_nonlocal.f90
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@ -79,7 +79,7 @@ subroutine damage_nonlocal_init
allocate(damageState(h)%state (1,NofMyHomog), source=damage_initialPhi(h))
nullify(damageMapping(h)%p)
damageMapping(h)%p => mappingHomogenization(1,:,:)
damageMapping(h)%p => material_homogenizationMemberAt
deallocate(damage(h)%p)
damage(h)%p => damageState(h)%state(1,:)

36
src/homogenization.f90
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@ -242,16 +242,16 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
materialpoint_requested(i,e) = .true. ! everybody requires calculation
if (homogState(material_homogenizationAt(e))%sizeState > 0) &
homogState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
homogState(material_homogenizationAt(e))%State0( :,mappingHomogenization(1,i,e)) ! ...internal homogenization state
homogState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e)) = &
homogState(material_homogenizationAt(e))%State0( :,material_homogenizationMemberAt(i,e)) ! ...internal homogenization state
if (thermalState(material_homogenizationAt(e))%sizeState > 0) &
thermalState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
thermalState(material_homogenizationAt(e))%State0( :,mappingHomogenization(1,i,e)) ! ...internal thermal state
thermalState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e)) = &
thermalState(material_homogenizationAt(e))%State0( :,material_homogenizationMemberAt(i,e)) ! ...internal thermal state
if (damageState(material_homogenizationAt(e))%sizeState > 0) &
damageState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
damageState(material_homogenizationAt(e))%State0( :,mappingHomogenization(1,i,e)) ! ...internal damage state
damageState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e)) = &
damageState(material_homogenizationAt(e))%State0( :,material_homogenizationMemberAt(i,e)) ! ...internal damage state
enddo
enddo
@ -313,14 +313,14 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
enddo
if(homogState(material_homogenizationAt(e))%sizeState > 0) &
homogState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
homogState(material_homogenizationAt(e))%State (:,mappingHomogenization(1,i,e))
homogState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e)) = &
homogState(material_homogenizationAt(e))%State (:,material_homogenizationMemberAt(i,e))
if(thermalState(material_homogenizationAt(e))%sizeState > 0) &
thermalState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
thermalState(material_homogenizationAt(e))%State (:,mappingHomogenization(1,i,e))
thermalState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e)) = &
thermalState(material_homogenizationAt(e))%State (:,material_homogenizationMemberAt(i,e))
if(damageState(material_homogenizationAt(e))%sizeState > 0) &
damageState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
damageState(material_homogenizationAt(e))%State (:,mappingHomogenization(1,i,e))
damageState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e)) = &
damageState(material_homogenizationAt(e))%State (:,material_homogenizationMemberAt(i,e))
materialpoint_subF0(1:3,1:3,i,e) = materialpoint_subF(1:3,1:3,i,e)
@ -375,14 +375,14 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
enddo
enddo
if(homogState(material_homogenizationAt(e))%sizeState > 0) &
homogState(material_homogenizationAt(e))%State( :,mappingHomogenization(1,i,e)) = &
homogState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e))
homogState(material_homogenizationAt(e))%State( :,material_homogenizationMemberAt(i,e)) = &
homogState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e))
if(thermalState(material_homogenizationAt(e))%sizeState > 0) &
thermalState(material_homogenizationAt(e))%State( :,mappingHomogenization(1,i,e)) = &
thermalState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e))
thermalState(material_homogenizationAt(e))%State( :,material_homogenizationMemberAt(i,e)) = &
thermalState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e))
if(damageState(material_homogenizationAt(e))%sizeState > 0) &
damageState(material_homogenizationAt(e))%State( :,mappingHomogenization(1,i,e)) = &
damageState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e))
damageState(material_homogenizationAt(e))%State( :,material_homogenizationMemberAt(i,e)) = &
damageState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e))
endif
endif converged

4
src/homogenization_mech_RGC.f90
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@ -108,7 +108,7 @@ module subroutine mech_RGC_init
#ifdef DEBUG
if (h==material_homogenizationAt(debug_e)) then
prm%of_debug = mappingHomogenization(1,debug_i,debug_e)
prm%of_debug = material_homogenizationMemberAt(debug_i,debug_e)
endif
#endif
@ -261,7 +261,7 @@ module procedure mech_RGC_updateState
endif zeroTimeStep
instance = homogenization_typeInstance(material_homogenizationAt(el))
of = mappingHomogenization(1,ip,el)
of = material_homogenizationMemberAt(ip,el)
associate(stt => state(instance), st0 => state0(instance), dst => dependentState(instance), prm => param(instance))

44
src/material.f90
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@ -113,11 +113,9 @@ module material
phase_Nsources, & !< number of source mechanisms active in each phase
phase_Nkinematics, & !< number of kinematic mechanisms active in each phase
phase_NstiffnessDegradations, & !< number of stiffness degradation mechanisms active in each phase
phase_Noutput, & !< number of '(output)' items per phase
phase_elasticityInstance, & !< instance of particular elasticity of each phase
phase_plasticityInstance, & !< instance of particular plasticity of each phase
homogenization_Ngrains, & !< number of grains in each homogenization
homogenization_Noutput, & !< number of '(output)' items per homogenization
homogenization_typeInstance, & !< instance of particular type of each homogenization
thermal_typeInstance, & !< instance of particular type of each thermal transport
damage_typeInstance !< instance of particular type of each nonlocal damage
@ -129,7 +127,7 @@ module material
! NEW MAPPINGS
integer, dimension(:), allocatable, public, protected :: & ! (elem)
material_homogenizationAt !< homogenization ID of each element (copy of discretization_homogenizationAt)
integer, dimension(:,:), allocatable, public, protected :: & ! (ip,elem)
integer, dimension(:,:), allocatable, public, target :: & ! (ip,elem) ToDo: ugly target for mapping hack
material_homogenizationMemberAt !< position of the element within its homogenization instance
integer, dimension(:,:), allocatable, public, protected :: & ! (constituent,elem)
material_phaseAt !< phase ID of each element
@ -153,12 +151,8 @@ module material
material_orientation0 !< initial orientation of each grain,IP,element
logical, dimension(:), allocatable, public, protected :: &
microstructure_active, &
phase_localPlasticity !< flags phases with local constitutive law
integer, private :: &
microstructure_maxNconstituents !< max number of constituents in any phase
integer, dimension(:), allocatable, private :: &
microstructure_Nconstituents !< number of constituents in each microstructure
@ -170,14 +164,9 @@ module material
material_Eulers
type(Rotation), dimension(:), allocatable, private :: &
texture_orientation !< Euler angles in material.config (possibly rotated for alignment)
real(pReal), dimension(:,:), allocatable, private :: &
microstructure_fraction !< vol fraction of each constituent in microstructure
logical, dimension(:), allocatable, private :: &
homogenization_active
! BEGIN DEPRECATED
integer, dimension(:,:,:), allocatable, public, target :: mappingHomogenization !< mapping from material points to offset in heterogenous state/field
integer, dimension(:,:), allocatable, private, target :: mappingHomogenizationConst !< mapping from material points to offset in constant state/field
! END DEPRECATED
@ -294,9 +283,8 @@ subroutine material_init
microstructure_Nconstituents(m)
if (microstructure_Nconstituents(m) > 0) then
do c = 1,microstructure_Nconstituents(m)
write(6,'(a1,1x,a32,1x,a32,1x,f7.4)') '>',config_name_phase(microstructure_phase(c,m)),&
config_name_texture(microstructure_texture(c,m)),&
microstructure_fraction(c,m)
write(6,'(a1,1x,a32,1x,a32)') '>',config_name_phase(microstructure_phase(c,m)),&
config_name_texture(microstructure_texture(c,m))
enddo
write(6,*)
endif
@ -362,18 +350,8 @@ subroutine material_init
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! BEGIN DEPRECATED
allocate(mappingHomogenization (2,discretization_nIP,discretization_nElem),source=0)
allocate(mappingHomogenizationConst( discretization_nIP,discretization_nElem),source=1)
CounterHomogenization=0
do e = 1,discretization_nElem
myHomog = discretization_homogenizationAt(e)
do i = 1, discretization_nIP
CounterHomogenization(myHomog) = CounterHomogenization(myHomog) + 1
mappingHomogenization(1:2,i,e) = [CounterHomogenization(myHomog),huge(1)]
enddo
enddo
! hack needed to initialize field values used during constitutive and crystallite initializations
do myHomog = 1,size(config_homogenization)
thermalMapping (myHomog)%p => mappingHomogenizationConst
@ -393,6 +371,8 @@ subroutine material_parseHomogenization
integer :: h
character(len=pStringLen) :: tag
logical, dimension(:), allocatable :: homogenization_active
allocate(homogenization_type(size(config_homogenization)), source=HOMOGENIZATION_undefined_ID)
allocate(thermal_type(size(config_homogenization)), source=THERMAL_isothermal_ID)
@ -401,7 +381,6 @@ subroutine material_parseHomogenization
allocate(thermal_typeInstance(size(config_homogenization)), source=0)
allocate(damage_typeInstance(size(config_homogenization)), source=0)
allocate(homogenization_Ngrains(size(config_homogenization)), source=0)
allocate(homogenization_Noutput(size(config_homogenization)), source=0)
allocate(homogenization_active(size(config_homogenization)), source=.false.) !!!!!!!!!!!!!!!
allocate(thermal_initialT(size(config_homogenization)), source=300.0_pReal)
allocate(damage_initialPhi(size(config_homogenization)), source=1.0_pReal)
@ -411,7 +390,6 @@ subroutine material_parseHomogenization
do h=1, size(config_homogenization)
homogenization_Noutput(h) = config_homogenization(h)%countKeys('(output)')
tag = config_homogenization(h)%getString('mech')
select case (trim(tag))
@ -488,16 +466,16 @@ subroutine material_parseMicrostructure
integer :: e, m, c, i
character(len=pStringLen) :: &
tag
real(pReal), dimension(:,:), allocatable :: &
microstructure_fraction !< vol fraction of each constituent in microstructure
integer :: &
microstructure_maxNconstituents !< max number of constituents in any phase
allocate(microstructure_Nconstituents(size(config_microstructure)), source=0)
allocate(microstructure_active(size(config_microstructure)), source=.false.)
if(any(discretization_microstructureAt > size(config_microstructure))) &
call IO_error(155,ext_msg='More microstructures in geometry than sections in material.config')
forall (e = 1:discretization_nElem) &
microstructure_active(discretization_microstructureAt(e)) = .true. ! current microstructure used in model? Elementwise view, maximum N operations for N elements
do m=1, size(config_microstructure)
microstructure_Nconstituents(m) = config_microstructure(m)%countKeys('(constituent)')
enddo
@ -548,11 +526,9 @@ subroutine material_parsePhase
allocate(phase_Nsources(size(config_phase)), source=0)
allocate(phase_Nkinematics(size(config_phase)), source=0)
allocate(phase_NstiffnessDegradations(size(config_phase)),source=0)
allocate(phase_Noutput(size(config_phase)), source=0)
allocate(phase_localPlasticity(size(config_phase)), source=.false.)
do p=1, size(config_phase)
phase_Noutput(p) = config_phase(p)%countKeys('(output)')
phase_Nsources(p) = config_phase(p)%countKeys('(source)')
phase_Nkinematics(p) = config_phase(p)%countKeys('(kinematics)')
phase_NstiffnessDegradations(p) = config_phase(p)%countKeys('(stiffness_degradation)')

4
src/thermal_adiabatic.f90
View File

@ -77,7 +77,7 @@ subroutine thermal_adiabatic_init
allocate(thermalState(h)%state (1,NofMyHomog), source=thermal_initialT(h))
nullify(thermalMapping(h)%p)
thermalMapping(h)%p => mappingHomogenization(1,:,:)
thermalMapping(h)%p => material_homogenizationMemberAt
deallocate(temperature(h)%p)
temperature(h)%p => thermalState(h)%state(1,:)
deallocate(temperatureRate(h)%p)
@ -109,7 +109,7 @@ function thermal_adiabatic_updateState(subdt, ip, el)
T, Tdot, dTdot_dT
homog = material_homogenizationAt(el)
offset = mappingHomogenization(1,ip,el)
offset = material_homogenizationMemberAt(ip,el)
T = thermalState(homog)%subState0(1,offset)
call thermal_adiabatic_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el)

4
src/thermal_conduction.f90
View File

@ -79,7 +79,7 @@ subroutine thermal_conduction_init
allocate(thermalState(h)%state (0,NofMyHomog))
nullify(thermalMapping(h)%p)
thermalMapping(h)%p => mappingHomogenization(1,:,:)
thermalMapping(h)%p => material_homogenizationMemberAt
deallocate(temperature (h)%p)
allocate (temperature (h)%p(NofMyHomog), source=thermal_initialT(h))
deallocate(temperatureRate(h)%p)
@ -114,7 +114,7 @@ subroutine thermal_conduction_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el)
constituent
homog = material_homogenizationAt(el)
offset = mappingHomogenization(1,ip,el)
offset = material_homogenizationMemberAt(ip,el)
instance = thermal_typeInstance(homog)
Tdot = 0.0_pReal