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variables from mesh object

This commit is contained in:
Martin Diehl 2019-02-02 12:15:05 +01:00
parent 326cbd0398
commit dcd16dda70
3 changed files with 38 additions and 49 deletions
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15
src/CPFEM.f90
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@ -140,8 +140,7 @@ subroutine CPFEM_init
restartRead, & restartRead, &
modelName modelName
use mesh, only: & use mesh, only: &
mesh_NcpElems, & theMesh
mesh_maxNips
use material, only: & use material, only: &
material_phase, & material_phase, &
homogState, & homogState, &
@ -168,10 +167,9 @@ subroutine CPFEM_init
flush(6) flush(6)
endif mainProcess endif mainProcess
! initialize stress and jacobian to zero allocate(CPFEM_cs( 6,theMesh%elem%nIPs,theMesh%Nelems), source= 0.0_pReal)
allocate(CPFEM_cs(6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_cs = 0.0_pReal allocate(CPFEM_dcsdE( 6,6,theMesh%elem%nIPs,theMesh%Nelems), source= 0.0_pReal)
allocate(CPFEM_dcsdE(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_dcsdE = 0.0_pReal allocate(CPFEM_dcsdE_knownGood(6,6,theMesh%elem%nIPs,theMesh%Nelems), source= 0.0_pReal)
allocate(CPFEM_dcsdE_knownGood(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_dcsdE_knownGood = 0.0_pReal
! *** restore the last converged values of each essential variable from the binary file ! *** restore the last converged values of each essential variable from the binary file
if (restartRead) then if (restartRead) then
@ -289,8 +287,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
math_6toSym33 math_6toSym33
use mesh, only: & use mesh, only: &
mesh_FEasCP, & mesh_FEasCP, &
mesh_NcpElems, & theMesh, &
mesh_maxNips, &
mesh_element mesh_element
use material, only: & use material, only: &
microstructure_elemhomo, & microstructure_elemhomo, &
@ -401,7 +398,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
enddo; enddo enddo; enddo
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) then if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) then
write(6,'(a)') '<< CPFEM >> aging states' write(6,'(a)') '<< CPFEM >> aging states'
if (debug_e <= mesh_NcpElems .and. debug_i <= mesh_maxNips) then if (debug_e <= theMesh%Nelems .and. debug_i <= theMesh%elem%nIPs) then
write(6,'(a,1x,i8,1x,i2,1x,i4,/,(12x,6(e20.8,1x)),/)') & write(6,'(a,1x,i8,1x,i2,1x,i4,/,(12x,6(e20.8,1x)),/)') &
'<< CPFEM >> aged state of elFE ip grain',debug_e, debug_i, 1, & '<< CPFEM >> aged state of elFE ip grain',debug_e, debug_i, 1, &
plasticState(phaseAt(1,debug_i,debug_e))%state(:,phasememberAt(1,debug_i,debug_e)) plasticState(phaseAt(1,debug_i,debug_e))%state(:,phasememberAt(1,debug_i,debug_e))

16
src/crystallite.f90
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@ -1745,9 +1745,8 @@ end subroutine integrateStateEuler
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine integrateStateAdaptiveEuler() subroutine integrateStateAdaptiveEuler()
use mesh, only: & use mesh, only: &
mesh_element, & theMesh, &
mesh_NcpElems, & mesh_element
mesh_maxNips
use material, only: & use material, only: &
homogenization_Ngrains, & homogenization_Ngrains, &
plasticState, & plasticState, &
@ -1771,11 +1770,11 @@ subroutine integrateStateAdaptiveEuler()
! ToDo: MD: once all constitutives use allocate state, attach residuum arrays to the state in case of adaptive Euler ! ToDo: MD: once all constitutives use allocate state, attach residuum arrays to the state in case of adaptive Euler
real(pReal), dimension(constitutive_plasticity_maxSizeDotState, & real(pReal), dimension(constitutive_plasticity_maxSizeDotState, &
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: & homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems) :: &
residuum_plastic residuum_plastic
real(pReal), dimension(constitutive_source_maxSizeDotState,& real(pReal), dimension(constitutive_source_maxSizeDotState,&
maxval(phase_Nsources), & maxval(phase_Nsources), &
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: & homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems) :: &
residuum_source residuum_source
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -1922,8 +1921,7 @@ end subroutine integrateStateRK4
subroutine integrateStateRKCK45() subroutine integrateStateRKCK45()
use mesh, only: & use mesh, only: &
mesh_element, & mesh_element, &
mesh_NcpElems, & theMesh
mesh_maxNips
use material, only: & use material, only: &
homogenization_Ngrains, & homogenization_Ngrains, &
plasticState, & plasticState, &
@ -1970,11 +1968,11 @@ subroutine integrateStateRKCK45()
! ToDo: MD: once all constitutives use allocate state, attach residuum arrays to the state in case of RKCK45 ! ToDo: MD: once all constitutives use allocate state, attach residuum arrays to the state in case of RKCK45
real(pReal), dimension(constitutive_plasticity_maxSizeDotState, & real(pReal), dimension(constitutive_plasticity_maxSizeDotState, &
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: & homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems) :: &
residuum_plastic ! relative residuum from evolution in microstructure residuum_plastic ! relative residuum from evolution in microstructure
real(pReal), dimension(constitutive_source_maxSizeDotState, & real(pReal), dimension(constitutive_source_maxSizeDotState, &
maxval(phase_Nsources), & maxval(phase_Nsources), &
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: & homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems) :: &
residuum_source ! relative residuum from evolution in microstructure residuum_source ! relative residuum from evolution in microstructure

56
src/material.f90
View File

@ -305,8 +305,7 @@ subroutine material_init()
texture_name texture_name
use mesh, only: & use mesh, only: &
mesh_homogenizationAt, & mesh_homogenizationAt, &
mesh_NipsPerElem, & theMesh
mesh_NcpElems
implicit none implicit none
integer(pInt), parameter :: FILEUNIT = 210_pInt integer(pInt), parameter :: FILEUNIT = 210_pInt
@ -398,10 +397,10 @@ subroutine material_init()
call material_populateGrains call material_populateGrains
! BEGIN DEPRECATED ! BEGIN DEPRECATED
allocate(phaseAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) allocate(phaseAt ( homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems),source=0_pInt)
allocate(phasememberAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) allocate(phasememberAt ( homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems),source=0_pInt)
allocate(mappingHomogenization (2, mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) allocate(mappingHomogenization (2, theMesh%elem%nIPs,theMesh%Nelems),source=0_pInt)
allocate(mappingHomogenizationConst( mesh_nIPsPerElem,mesh_NcpElems),source=1_pInt) allocate(mappingHomogenizationConst( theMesh%elem%nIPs,theMesh%Nelems),source=1_pInt)
! END DEPRECATED ! END DEPRECATED
allocate(material_homogenizationAt,source=mesh_homogenizationAt) allocate(material_homogenizationAt,source=mesh_homogenizationAt)
@ -409,9 +408,9 @@ subroutine material_init()
allocate(CounterHomogenization(size(config_homogenization)),source=0_pInt) allocate(CounterHomogenization(size(config_homogenization)),source=0_pInt)
! BEGIN DEPRECATED ! BEGIN DEPRECATED
do e = 1_pInt,mesh_NcpElems do e = 1_pInt,theMesh%Nelems
myHomog = mesh_homogenizationAt(e) myHomog = mesh_homogenizationAt(e)
do i = 1_pInt, mesh_NipsPerElem do i = 1_pInt, theMesh%elem%nIPs
CounterHomogenization(myHomog) = CounterHomogenization(myHomog) + 1_pInt CounterHomogenization(myHomog) = CounterHomogenization(myHomog) + 1_pInt
mappingHomogenization(1:2,i,e) = [CounterHomogenization(myHomog),myHomog] mappingHomogenization(1:2,i,e) = [CounterHomogenization(myHomog),myHomog]
do g = 1_pInt,homogenization_Ngrains(myHomog) do g = 1_pInt,homogenization_Ngrains(myHomog)
@ -552,7 +551,7 @@ subroutine material_parseMicrostructure
microstructure_name microstructure_name
use mesh, only: & use mesh, only: &
mesh_microstructureAt, & mesh_microstructureAt, &
mesh_NcpElems theMesh
implicit none implicit none
character(len=65536), dimension(:), allocatable :: & character(len=65536), dimension(:), allocatable :: &
@ -570,7 +569,7 @@ subroutine material_parseMicrostructure
if(any(mesh_microstructureAt > size(config_microstructure))) & if(any(mesh_microstructureAt > size(config_microstructure))) &
call IO_error(155_pInt,ext_msg='More microstructures in geometry than sections in material.config') call IO_error(155_pInt,ext_msg='More microstructures in geometry than sections in material.config')
forall (e = 1_pInt:mesh_NcpElems) & forall (e = 1_pInt:theMesh%Nelems) &
microstructure_active(mesh_microstructureAt(e)) = .true. ! current microstructure used in model? Elementwise view, maximum N operations for N elements microstructure_active(mesh_microstructureAt(e)) = .true. ! current microstructure used in model? Elementwise view, maximum N operations for N elements
do m=1_pInt, size(config_microstructure) do m=1_pInt, size(config_microstructure)
@ -983,11 +982,9 @@ subroutine material_populateGrains
math_sampleFiberOri, & math_sampleFiberOri, &
math_symmetricEulers math_symmetricEulers
use mesh, only: & use mesh, only: &
mesh_NipsPerElem, &
mesh_elemType, &
mesh_homogenizationAt, & mesh_homogenizationAt, &
mesh_microstructureAt, & mesh_microstructureAt, &
mesh_NcpElems, & theMesh, &
mesh_ipVolume mesh_ipVolume
use config, only: & use config, only: &
config_homogenization, & config_homogenization, &
@ -1024,24 +1021,24 @@ subroutine material_populateGrains
myDebug = debug_level(debug_material) myDebug = debug_level(debug_material)
allocate(material_volume(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0.0_pReal) allocate(material_volume(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems), source=0.0_pReal)
allocate(material_phase(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) allocate(material_phase(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems), source=0_pInt)
allocate(material_homog(mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) allocate(material_homog(theMesh%elem%nIPs,theMesh%Nelems), source=0_pInt)
allocate(material_texture(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) allocate(material_texture(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems), source=0_pInt)
allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0.0_pReal) allocate(material_EulerAngles(3,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems),source=0.0_pReal)
allocate(Ngrains(size(config_homogenization),size(config_microstructure)), source=0_pInt) allocate(Ngrains(size(config_homogenization),size(config_microstructure)), source=0_pInt)
allocate(Nelems (size(config_homogenization),size(config_microstructure)), source=0_pInt) allocate(Nelems (size(config_homogenization),size(config_microstructure)), source=0_pInt)
! populating homogenization schemes in each ! populating homogenization schemes in each
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
do e = 1_pInt, mesh_NcpElems do e = 1_pInt, theMesh%Nelems
material_homog(1_pInt:mesh_NipsPerElem,e) = mesh_homogenizationAt(e) material_homog(1_pInt:theMesh%elem%nIPs,e) = mesh_homogenizationAt(e)
enddo enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! precounting of elements for each homog/micro pair ! precounting of elements for each homog/micro pair
do e = 1_pInt, mesh_NcpElems do e = 1_pInt, theMesh%Nelems
homog = mesh_homogenizationAt(e) homog = mesh_homogenizationAt(e)
micro = mesh_microstructureAt(e) micro = mesh_microstructureAt(e)
Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt
@ -1059,8 +1056,7 @@ subroutine material_populateGrains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! identify maximum grain count per IP (from element) and find grains per homog/micro pair ! identify maximum grain count per IP (from element) and find grains per homog/micro pair
Nelems = 0_pInt ! reuse as counter Nelems = 0_pInt ! reuse as counter
elementLooping: do e = 1_pInt,mesh_NcpElems elementLooping: do e = 1_pInt,theMesh%Nelems
t = mesh_elemType
homog = mesh_homogenizationAt(e) homog = mesh_homogenizationAt(e)
micro = mesh_microstructureAt(e) micro = mesh_microstructureAt(e)
if (homog < 1_pInt .or. homog > size(config_homogenization)) & ! out of bounds if (homog < 1_pInt .or. homog > size(config_homogenization)) & ! out of bounds
@ -1070,7 +1066,7 @@ subroutine material_populateGrains
if (microstructure_elemhomo(micro)) then ! how many grains are needed at this element? if (microstructure_elemhomo(micro)) then ! how many grains are needed at this element?
dGrains = homogenization_Ngrains(homog) ! only one set of Ngrains (other IPs are plain copies) dGrains = homogenization_Ngrains(homog) ! only one set of Ngrains (other IPs are plain copies)
else else
dGrains = homogenization_Ngrains(homog) * mesh_NipsPerElem ! each IP has Ngrains dGrains = homogenization_Ngrains(homog) * theMesh%elem%nIPs ! each IP has Ngrains
endif endif
Ngrains(homog,micro) = Ngrains(homog,micro) + dGrains ! total grain count Ngrains(homog,micro) = Ngrains(homog,micro) + dGrains ! total grain count
Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt ! total element count Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt ! total element count
@ -1104,16 +1100,15 @@ subroutine material_populateGrains
do hme = 1_pInt, Nelems(homog,micro) do hme = 1_pInt, Nelems(homog,micro)
e = elemsOfHomogMicro(homog,micro)%p(hme) ! my combination of homog and micro, only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex e = elemsOfHomogMicro(homog,micro)%p(hme) ! my combination of homog and micro, only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex
t = mesh_elemType
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
volumeOfGrain(grain+1_pInt:grain+dGrains) = sum(mesh_ipVolume(1:mesh_NipsPerElem,e))/& volumeOfGrain(grain+1_pInt:grain+dGrains) = sum(mesh_ipVolume(1:theMesh%elem%nIPs,e))/&
real(dGrains,pReal) ! each grain combines size of all IPs in that element real(dGrains,pReal) ! each grain combines size of all IPs in that element
grain = grain + dGrains ! wind forward by Ngrains@IP grain = grain + dGrains ! wind forward by Ngrains@IP
else else
forall (i = 1_pInt:mesh_NipsPerElem) & ! loop over IPs forall (i = 1_pInt:theMesh%elem%nIPs) & ! loop over IPs
volumeOfGrain(grain+(i-1)*dGrains+1_pInt:grain+i*dGrains) = & volumeOfGrain(grain+(i-1)*dGrains+1_pInt:grain+i*dGrains) = &
mesh_ipVolume(i,e)/real(dGrains,pReal) ! assign IPvolume/Ngrains@IP to all grains of IP mesh_ipVolume(i,e)/real(dGrains,pReal) ! assign IPvolume/Ngrains@IP to all grains of IP
grain = grain + mesh_NipsPerElem * dGrains ! wind forward by Nips*Ngrains@IP grain = grain + theMesh%elem%nIPs * dGrains ! wind forward by Nips*Ngrains@IP
endif endif
enddo enddo
@ -1259,11 +1254,10 @@ subroutine material_populateGrains
do hme = 1_pInt, Nelems(homog,micro) do hme = 1_pInt, Nelems(homog,micro)
e = elemsOfHomogMicro(homog,micro)%p(hme) ! only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex e = elemsOfHomogMicro(homog,micro)%p(hme) ! only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex
t = mesh_elemType
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
m = 1_pInt ! process only first IP m = 1_pInt ! process only first IP
else else
m = mesh_NipsPerElem m = theMesh%elem%nIPs
endif endif
do i = 1_pInt, m ! loop over necessary IPs do i = 1_pInt, m ! loop over necessary IPs
@ -1301,7 +1295,7 @@ subroutine material_populateGrains
enddo enddo
do i = i, mesh_NipsPerElem ! loop over IPs to (possibly) distribute copies from first IP do i = i, theMesh%elem%nIPs ! loop over IPs to (possibly) distribute copies from first IP
material_volume (1_pInt:dGrains,i,e) = material_volume (1_pInt:dGrains,1,e) material_volume (1_pInt:dGrains,i,e) = material_volume (1_pInt:dGrains,1,e)
material_phase (1_pInt:dGrains,i,e) = material_phase (1_pInt:dGrains,1,e) material_phase (1_pInt:dGrains,i,e) = material_phase (1_pInt:dGrains,1,e)
material_texture(1_pInt:dGrains,i,e) = material_texture(1_pInt:dGrains,1,e) material_texture(1_pInt:dGrains,i,e) = material_texture(1_pInt:dGrains,1,e)